smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(OCC[NH2+][C@H](C)CC#N)cc1 ZINC000381158173 710605561 /nfs/dbraw/zinc/60/55/61/710605561.db2.gz QSJHZGMDYMEPRD-GFCCVEGCSA-N 1 1 218.300 2.266 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038662599 710700263 /nfs/dbraw/zinc/70/02/63/710700263.db2.gz SKWJQDYFALXDQR-CQSZACIVSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038662599 710700266 /nfs/dbraw/zinc/70/02/66/710700266.db2.gz SKWJQDYFALXDQR-CQSZACIVSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001039326800 710725348 /nfs/dbraw/zinc/72/53/48/710725348.db2.gz NMBVBKIQDANTTF-KGLIPLIRSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001039354931 710726195 /nfs/dbraw/zinc/72/61/95/710726195.db2.gz UZVFQTPJSCUCJL-YCYRZOEZSA-N 1 1 248.370 2.204 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000724156571 710738052 /nfs/dbraw/zinc/73/80/52/710738052.db2.gz KKIYZZPOVYYQHH-CABCVRRESA-N 1 1 244.338 2.476 20 30 BEEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001041036704 710762976 /nfs/dbraw/zinc/76/29/76/710762976.db2.gz LCYHTIKNHDHIIS-OAHLLOKOSA-N 1 1 248.370 2.063 20 30 BEEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCO[C@@H](C)C#N ZINC000384274821 710849864 /nfs/dbraw/zinc/84/98/64/710849864.db2.gz BVNDCCPGJUMYHP-SDDRHHMPSA-N 1 1 210.321 2.035 20 30 BEEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)n(C)n1 ZINC000903109632 710892580 /nfs/dbraw/zinc/89/25/80/710892580.db2.gz TZOPXVAPLSACTR-GFCCVEGCSA-N 1 1 246.358 2.463 20 30 BEEDMO C=C(C)C[N@H+](CC)C/C=C/C(=O)OCC ZINC000382523306 710945917 /nfs/dbraw/zinc/94/59/17/710945917.db2.gz CIFDQRALRIFWDJ-BQYQJAHWSA-N 1 1 211.305 2.004 20 30 BEEDMO CCCCCCCC[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396838154 710908991 /nfs/dbraw/zinc/90/89/91/710908991.db2.gz GABFZXPWXHSDBC-UONOGXRCSA-N 1 1 243.391 2.022 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC)CC1 ZINC001052127354 710959887 /nfs/dbraw/zinc/95/98/87/710959887.db2.gz VUZJBXSYRSTQIN-NSHDSACASA-N 1 1 244.766 2.120 20 30 BEEDMO C=CC[N@H+](C/C=C(/C)C(=O)OC)C(C)C ZINC000383886730 710986088 /nfs/dbraw/zinc/98/60/88/710986088.db2.gz HDAIDZMMCCAGKQ-XFFZJAGNSA-N 1 1 211.305 2.002 20 30 BEEDMO COc1cccc(C[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000385473427 711012684 /nfs/dbraw/zinc/01/26/84/711012684.db2.gz HEHGRZKXEMKWMK-GFCCVEGCSA-N 1 1 248.326 2.056 20 30 BEEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc[nH]1 ZINC000390417745 711116253 /nfs/dbraw/zinc/11/62/53/711116253.db2.gz IBIARMDRAHHGMD-MNOVXSKESA-N 1 1 216.288 2.109 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071401679 711191163 /nfs/dbraw/zinc/19/11/63/711191163.db2.gz OQMTWVMYUQIEAQ-OCCSQVGLSA-N 1 1 248.370 2.108 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071415605 711191341 /nfs/dbraw/zinc/19/13/41/711191341.db2.gz BYVGPLIILJVPQP-OCCSQVGLSA-N 1 1 248.370 2.252 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)C1CC(C)(C)C1 ZINC000395468436 711212071 /nfs/dbraw/zinc/21/20/71/711212071.db2.gz IUDRNROJYFWSTJ-JTQLQIEISA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)C1CC(C)(C)C1 ZINC000395468441 711212273 /nfs/dbraw/zinc/21/22/73/711212273.db2.gz IUDRNROJYFWSTJ-SNVBAGLBSA-N 1 1 210.321 2.035 20 30 BEEDMO CCCCCCC[C@@H](C)[NH2+]Cc1nnn(C)n1 ZINC000398196804 711404435 /nfs/dbraw/zinc/40/44/35/711404435.db2.gz UMVSYHLVPSHSSN-LLVKDONJSA-N 1 1 239.367 2.049 20 30 BEEDMO N#CCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000399013040 711418298 /nfs/dbraw/zinc/41/82/98/711418298.db2.gz CMNPHKDMZLGECQ-OKILXGFUSA-N 1 1 212.296 2.204 20 30 BEEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001039354930 710725896 /nfs/dbraw/zinc/72/58/96/710725896.db2.gz UZVFQTPJSCUCJL-KYYFYTAESA-N 1 1 248.370 2.204 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001041903880 710771202 /nfs/dbraw/zinc/77/12/02/710771202.db2.gz LOOGODGPEBUTMK-ZIAGYGMSSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488919 710900461 /nfs/dbraw/zinc/90/04/61/710900461.db2.gz CURIBHVIVCRVGV-STQMWFEESA-N 1 1 248.370 2.038 20 30 BEEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001050012246 710950221 /nfs/dbraw/zinc/95/02/21/710950221.db2.gz BWIYSVVXIOSINI-ODYZYYDOSA-N 1 1 248.370 2.061 20 30 BEEDMO CCCCCCCC[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396838148 711371091 /nfs/dbraw/zinc/37/10/91/711371091.db2.gz GABFZXPWXHSDBC-KGLIPLIRSA-N 1 1 243.391 2.022 20 30 BEEDMO CC(C)C[C@@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC000396919966 711373543 /nfs/dbraw/zinc/37/35/43/711373543.db2.gz QIDAKQATYWTAJT-STQMWFEESA-N 1 1 224.348 2.426 20 30 BEEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001072600828 711383189 /nfs/dbraw/zinc/38/31/89/711383189.db2.gz HHKGCODTXPZEQK-WLRTZDKTSA-N 1 1 248.370 2.063 20 30 BEEDMO Cn1cc(C[NH+]2CCC(C#N)CC2)c(C2CC2)n1 ZINC000891852974 711552962 /nfs/dbraw/zinc/55/29/62/711552962.db2.gz XYSZDYLTWRVKOU-UHFFFAOYSA-N 1 1 244.342 2.033 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000724160458 711565128 /nfs/dbraw/zinc/56/51/28/711565128.db2.gz RYAHABWWOFLIMQ-KGLIPLIRSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cc(C#N)ccc1F ZINC000724161535 711565462 /nfs/dbraw/zinc/56/54/62/711565462.db2.gz XWALKARICBHMFV-KGLIPLIRSA-N 1 1 248.301 2.307 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000724161535 711565464 /nfs/dbraw/zinc/56/54/64/711565464.db2.gz XWALKARICBHMFV-KGLIPLIRSA-N 1 1 248.301 2.307 20 30 BEEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000724160457 711565494 /nfs/dbraw/zinc/56/54/94/711565494.db2.gz RYAHABWWOFLIMQ-KBPBESRZSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000724163681 711565902 /nfs/dbraw/zinc/56/59/02/711565902.db2.gz PTVMJVIAEDBRNL-CABCVRRESA-N 1 1 244.338 2.476 20 30 BEEDMO C=C1CCC(CN[C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000724445107 711580815 /nfs/dbraw/zinc/58/08/15/711580815.db2.gz RNUCLMKTQGWTCP-OCCSQVGLSA-N 1 1 222.376 2.463 20 30 BEEDMO C#C[C@@H]1CCCC[N@H+]1Cc1oc(C)nc1C ZINC000934516933 711591056 /nfs/dbraw/zinc/59/10/56/711591056.db2.gz RCYPXKBQEXCFPI-GFCCVEGCSA-N 1 1 218.300 2.279 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1oc(C)nc1C ZINC000934516933 711591057 /nfs/dbraw/zinc/59/10/57/711591057.db2.gz RCYPXKBQEXCFPI-GFCCVEGCSA-N 1 1 218.300 2.279 20 30 BEEDMO C#C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000934518526 711591156 /nfs/dbraw/zinc/59/11/56/711591156.db2.gz JMPMAMUHQHLJSL-UONOGXRCSA-N 1 1 233.355 2.433 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724857526 711621432 /nfs/dbraw/zinc/62/14/32/711621432.db2.gz CTARBPVOVSBVOQ-ITGUQSILSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000724859810 711621939 /nfs/dbraw/zinc/62/19/39/711621939.db2.gz TWMBWSIFRGBCTL-RFQIPJPRSA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@H]1C ZINC000721597281 711656740 /nfs/dbraw/zinc/65/67/40/711656740.db2.gz JZNMFQSRVNZIHT-QWRGUYRKSA-N 1 1 215.300 2.184 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309162759 711662731 /nfs/dbraw/zinc/66/27/31/711662731.db2.gz ZSWVNYPZILRGPV-ZETCQYMHSA-N 1 1 227.666 2.296 20 30 BEEDMO C=CCC[N@H+](C)Cn1cc(Br)cn1 ZINC000308280687 711687769 /nfs/dbraw/zinc/68/77/69/711687769.db2.gz XRJRLLASAQHVGR-UHFFFAOYSA-N 1 1 244.136 2.111 20 30 BEEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001027362886 711727965 /nfs/dbraw/zinc/72/79/65/711727965.db2.gz VUUPDQZWMJLHRT-AWEZNQCLSA-N 1 1 248.370 2.206 20 30 BEEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001027826077 711736892 /nfs/dbraw/zinc/73/68/92/711736892.db2.gz LPQOVTIRXVMARV-CQSZACIVSA-N 1 1 248.370 2.253 20 30 BEEDMO N#CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000425970535 711763659 /nfs/dbraw/zinc/76/36/59/711763659.db2.gz GWEMSDGIZNHWFR-UHFFFAOYSA-N 1 1 230.311 2.479 20 30 BEEDMO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)C(C)C ZINC000897170823 711784678 /nfs/dbraw/zinc/78/46/78/711784678.db2.gz ISKPDNYZZJGYJE-UHFFFAOYSA-N 1 1 247.386 2.389 20 30 BEEDMO C#CC[N@@H+](Cc1ccnn1CC(C)C)C(C)C ZINC000897170866 711784792 /nfs/dbraw/zinc/78/47/92/711784792.db2.gz JSSCLYYKGPZPLK-UHFFFAOYSA-N 1 1 233.359 2.383 20 30 BEEDMO C#CC[N@H+](Cc1ccnn1CC(C)C)C(C)C ZINC000897170866 711784794 /nfs/dbraw/zinc/78/47/94/711784794.db2.gz JSSCLYYKGPZPLK-UHFFFAOYSA-N 1 1 233.359 2.383 20 30 BEEDMO C#CCCC[N@H+]1CCOc2ccccc2C1 ZINC000161103444 711810693 /nfs/dbraw/zinc/81/06/93/711810693.db2.gz ZSEYKMHNEFPIKP-UHFFFAOYSA-N 1 1 215.296 2.294 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCCC(=O)CC)C1 ZINC000829815673 711854053 /nfs/dbraw/zinc/85/40/53/711854053.db2.gz QLINCWIVZALIOB-ZDUSSCGKSA-N 1 1 221.344 2.481 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)C(C)(C)C)C1 ZINC000829815825 711854340 /nfs/dbraw/zinc/85/43/40/711854340.db2.gz ULRVZOINXSEAQF-STQMWFEESA-N 1 1 223.360 2.129 20 30 BEEDMO C[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000068482054 711887117 /nfs/dbraw/zinc/88/71/17/711887117.db2.gz QBSVSYCPWRVYLW-BXKDBHETSA-N 1 1 238.718 2.265 20 30 BEEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=C)C ZINC001032562841 711926125 /nfs/dbraw/zinc/92/61/25/711926125.db2.gz GFTJDWBVGXUQGG-STQMWFEESA-N 1 1 248.370 2.060 20 30 BEEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=C)C ZINC001032562841 711926127 /nfs/dbraw/zinc/92/61/27/711926127.db2.gz GFTJDWBVGXUQGG-STQMWFEESA-N 1 1 248.370 2.060 20 30 BEEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C(C)C)C1 ZINC001032614799 711929493 /nfs/dbraw/zinc/92/94/93/711929493.db2.gz ZPLOMRCGPDDFIT-STQMWFEESA-N 1 1 248.370 2.036 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(C)=O ZINC001049266439 711933335 /nfs/dbraw/zinc/93/33/35/711933335.db2.gz WGBQCZFWCPLVOV-KBPBESRZSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001032901115 711967040 /nfs/dbraw/zinc/96/70/40/711967040.db2.gz NERYLJPSAAZGPX-ZIAGYGMSSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC=CC2)C1 ZINC001032980511 711970329 /nfs/dbraw/zinc/97/03/29/711970329.db2.gz IXNJDSZTZVRPJG-AWEZNQCLSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001033332781 711984081 /nfs/dbraw/zinc/98/40/81/711984081.db2.gz PIVUBRQWSOCKLL-UKRRQHHQSA-N 1 1 248.370 2.061 20 30 BEEDMO Cc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1C#N ZINC000700705250 712003726 /nfs/dbraw/zinc/00/37/26/712003726.db2.gz UABUAAKEFQMOIW-LBPRGKRZSA-N 1 1 244.338 2.335 20 30 BEEDMO Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1C#N ZINC000700712985 712003964 /nfs/dbraw/zinc/00/39/64/712003964.db2.gz VQZGPUSRNMAKPY-OKILXGFUSA-N 1 1 212.296 2.318 20 30 BEEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034139678 712041515 /nfs/dbraw/zinc/04/15/15/712041515.db2.gz ALOMEWMIGNATKY-AWEZNQCLSA-N 1 1 248.370 2.109 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cc(C)no1)C(C)(C)C ZINC000702257153 712042137 /nfs/dbraw/zinc/04/21/37/712042137.db2.gz PPLZPEWBUZBDCD-NSHDSACASA-N 1 1 206.289 2.121 20 30 BEEDMO C#C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278928 712045151 /nfs/dbraw/zinc/04/51/51/712045151.db2.gz ZSSXKVIGTSOWEZ-XQQFMLRXSA-N 1 1 222.376 2.107 20 30 BEEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278928 712045152 /nfs/dbraw/zinc/04/51/52/712045152.db2.gz ZSSXKVIGTSOWEZ-XQQFMLRXSA-N 1 1 222.376 2.107 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278922 712045178 /nfs/dbraw/zinc/04/51/78/712045178.db2.gz ZSSXKVIGTSOWEZ-AGIUHOORSA-N 1 1 222.376 2.107 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278922 712045181 /nfs/dbraw/zinc/04/51/81/712045181.db2.gz ZSSXKVIGTSOWEZ-AGIUHOORSA-N 1 1 222.376 2.107 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000705834851 712136491 /nfs/dbraw/zinc/13/64/91/712136491.db2.gz NMOOPGMSOFYHOX-CYBMUJFWSA-N 1 1 222.376 2.417 20 30 BEEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000706901642 712159734 /nfs/dbraw/zinc/15/97/34/712159734.db2.gz 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BEEDMO C=CCCSCC[NH2+][C@H]1CCCN[C@H]1C ZINC000696088808 965237894 /nfs/dbraw/zinc/23/78/94/965237894.db2.gz CKWXASKSMGWGEE-RYUDHWBXSA-N 1 1 228.405 2.026 20 30 BEEDMO COC[C@H](C[N@@H+](C)[C@@H](C)CC#N)C(C)C ZINC000721734807 965248169 /nfs/dbraw/zinc/24/81/69/965248169.db2.gz SDMRRRLAIBQKIQ-RYUDHWBXSA-N 1 1 212.337 2.139 20 30 BEEDMO C#CCNc1[nH+]cccc1C1CCOCC1 ZINC001163361841 965362664 /nfs/dbraw/zinc/36/26/64/965362664.db2.gz CRHKHXSOAZTSSO-UHFFFAOYSA-N 1 1 216.284 2.021 20 30 BEEDMO C#CCCC1(CCNc2ccc(N)c[nH+]2)N=N1 ZINC001163377942 965383216 /nfs/dbraw/zinc/38/32/16/965383216.db2.gz PXUPLANEYQLZBY-UHFFFAOYSA-N 1 1 229.287 2.041 20 30 BEEDMO C[NH+](C)Cc1ccc(NC2=CC(=O)CCC2)nc1 ZINC001163453280 965407360 /nfs/dbraw/zinc/40/73/60/965407360.db2.gz UKNWAEUXCUDUAE-UHFFFAOYSA-N 1 1 245.326 2.192 20 30 BEEDMO Cc1[nH+]c(N[C@@H](C)[C@@H]2CCCO2)ccc1CC#N ZINC001163480210 965415181 /nfs/dbraw/zinc/41/51/81/965415181.db2.gz IIVAYIVXOSPPKE-AAEUAGOBSA-N 1 1 245.326 2.436 20 30 BEEDMO 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20 30 BEEDMO C=CC[N@H+](CCNC(=O)/C(C)=C\CC)C1CC1 ZINC001317548673 1169905902 /nfs/dbraw/zinc/90/59/02/1169905902.db2.gz ARVIRJXAFFDEEI-SDQBBNPISA-N 1 1 236.359 2.109 20 30 BEEDMO C=CCC[N@@H+](CCNC(=O)c1ccco1)C1CC1 ZINC001317546012 1169908027 /nfs/dbraw/zinc/90/80/27/1169908027.db2.gz XGEUWNBBIOBGBU-UHFFFAOYSA-N 1 1 248.326 2.050 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001205567386 967698150 /nfs/dbraw/zinc/69/81/50/967698150.db2.gz BDYKBDYQGUTOEG-SECBINFHSA-N 1 1 223.703 2.499 20 30 BEEDMO C=C(Br)C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000687218858 967763763 /nfs/dbraw/zinc/76/37/63/967763763.db2.gz MTQJOMSZUQNKER-VHSXEESVSA-N 1 1 248.164 2.394 20 30 BEEDMO C=C(Br)C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000687218858 967763776 /nfs/dbraw/zinc/76/37/76/967763776.db2.gz MTQJOMSZUQNKER-VHSXEESVSA-N 1 1 248.164 2.394 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1c(Cl)ncn1CC)C(C)C ZINC001205714205 967788570 /nfs/dbraw/zinc/78/85/70/967788570.db2.gz VWHHSSKVIUPDDU-SNVBAGLBSA-N 1 1 239.750 2.304 20 30 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C#C[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC001137047823 974050254 /nfs/dbraw/zinc/05/02/54/974050254.db2.gz ODEWCXXPLXZMIG-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001330107855 974110175 /nfs/dbraw/zinc/11/01/75/974110175.db2.gz IXZIIUICJFZIGX-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO C[N@H+](CCC#N)[C@H]1Cc2cccc(F)c2C1 ZINC001171791011 974182437 /nfs/dbraw/zinc/18/24/37/974182437.db2.gz XMYYNRVBZZUNBY-NSHDSACASA-N 1 1 218.275 2.138 20 30 BEEDMO C[N@@H+](CCC#N)[C@H]1Cc2cccc(F)c2C1 ZINC001171791011 974182439 /nfs/dbraw/zinc/18/24/39/974182439.db2.gz XMYYNRVBZZUNBY-NSHDSACASA-N 1 1 218.275 2.138 20 30 BEEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2OC)C1 ZINC001225193255 974209478 /nfs/dbraw/zinc/20/94/78/974209478.db2.gz IOTJRNUZIORELW-GFCCVEGCSA-N 1 1 246.310 2.040 20 30 BEEDMO N#Cc1ccccc1OC1CC[NH+](CCF)CC1 ZINC001225197049 974213632 /nfs/dbraw/zinc/21/36/32/974213632.db2.gz CUNNOAZTZLCWGV-UHFFFAOYSA-N 1 1 248.301 2.371 20 30 BEEDMO 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ZINC000602657109 349662550 /nfs/dbraw/zinc/66/25/50/349662550.db2.gz WRJOVMDYWMRZBM-KFWWJZLASA-N 1 1 249.402 2.485 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000602628046 349664353 /nfs/dbraw/zinc/66/43/53/349664353.db2.gz GSXFGAGNIXNNFR-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000602628048 349664379 /nfs/dbraw/zinc/66/43/79/349664379.db2.gz GSXFGAGNIXNNFR-VXGBXAGGSA-N 1 1 224.348 2.019 20 30 BEEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CCN1C ZINC000602629822 349665217 /nfs/dbraw/zinc/66/52/17/349665217.db2.gz JGWPJMLEHTZLBT-KBPBESRZSA-N 1 1 237.391 2.198 20 30 BEEDMO CC(C)[C@@H]1CN(C[C@@H](C)CCC#N)CC[N@@H+]1C ZINC000602629822 349665219 /nfs/dbraw/zinc/66/52/19/349665219.db2.gz JGWPJMLEHTZLBT-KBPBESRZSA-N 1 1 237.391 2.198 20 30 BEEDMO CC(C)[C@@H]1CN(C[C@@H](C)CCC#N)CC[N@H+]1C ZINC000602629822 349665220 /nfs/dbraw/zinc/66/52/20/349665220.db2.gz JGWPJMLEHTZLBT-KBPBESRZSA-N 1 1 237.391 2.198 20 30 BEEDMO Cc1cnn([C@@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)c1 ZINC000602678331 349671006 /nfs/dbraw/zinc/67/10/06/349671006.db2.gz VFQNGMKEXVOUGM-GXTWGEPZSA-N 1 1 246.358 2.378 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000602671074 349665938 /nfs/dbraw/zinc/66/59/38/349665938.db2.gz IJNSMMLQPVTOEP-UONOGXRCSA-N 1 1 249.402 2.342 20 30 BEEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@H](C)OC ZINC000602673812 349667439 /nfs/dbraw/zinc/66/74/39/349667439.db2.gz CRVPJWVPDLVRBN-RYUDHWBXSA-N 1 1 212.337 2.283 20 30 BEEDMO CC[C@H](C)[N@@H+](CCO)C[C@@H](C)CCC#N ZINC000602680141 349672622 /nfs/dbraw/zinc/67/26/22/349672622.db2.gz JRWLRATWRFBEGD-RYUDHWBXSA-N 1 1 212.337 2.019 20 30 BEEDMO 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 349680467 /nfs/dbraw/zinc/68/04/67/349680467.db2.gz BRTHZLYMWOLJIH-XDSHMYFISA-N 1 1 248.370 2.281 20 30 BEEDMO CC(C)C[C@H](CO)[N@@H+](C)C[C@H](C)CCC#N ZINC000602663539 349682754 /nfs/dbraw/zinc/68/27/54/349682754.db2.gz 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C[C@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778551 349744878 /nfs/dbraw/zinc/74/48/78/349744878.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 1 1 235.375 2.095 20 30 BEEDMO C[C@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778551 349744883 /nfs/dbraw/zinc/74/48/83/349744883.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 1 1 235.375 2.095 20 30 BEEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602779362 349746390 /nfs/dbraw/zinc/74/63/90/349746390.db2.gz MFRNRZOWXQAJLG-STQMWFEESA-N 1 1 236.359 2.306 20 30 BEEDMO CC1(C)CO[C@@H](C[N@H+](CCC#N)CC2CC2)C1 ZINC000602777075 349726258 /nfs/dbraw/zinc/72/62/58/349726258.db2.gz IYWPYXYLJNJGSC-CYBMUJFWSA-N 1 1 236.359 2.427 20 30 BEEDMO CC1(C)CO[C@@H](C[N@@H+](CCC#N)CC2CC2)C1 ZINC000602777075 349726260 /nfs/dbraw/zinc/72/62/60/349726260.db2.gz IYWPYXYLJNJGSC-CYBMUJFWSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602831333 349768076 /nfs/dbraw/zinc/76/80/76/349768076.db2.gz NPOAEUHSCJBAJE-ZIAGYGMSSA-N 1 1 247.386 2.239 20 30 BEEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CC1(CC#N)CC1 ZINC000602831333 349768079 /nfs/dbraw/zinc/76/80/79/349768079.db2.gz NPOAEUHSCJBAJE-ZIAGYGMSSA-N 1 1 247.386 2.239 20 30 BEEDMO N#CCC1(C[N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000602826266 349765206 /nfs/dbraw/zinc/76/52/06/349765206.db2.gz KHNRDXKSWADYGN-AWEZNQCLSA-N 1 1 234.343 2.183 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602788795 349751447 /nfs/dbraw/zinc/75/14/47/349751447.db2.gz RIGIPIKFPXHYKZ-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602788795 349751448 /nfs/dbraw/zinc/75/14/48/349751448.db2.gz RIGIPIKFPXHYKZ-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO N#CCC1(C[N@H+]2CCOCC3(CCC3)C2)CC1 ZINC000602810345 349755143 /nfs/dbraw/zinc/75/51/43/349755143.db2.gz SPGJCUISODGNCU-UHFFFAOYSA-N 1 1 234.343 2.183 20 30 BEEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](C)[C@H](C)O1 ZINC000602815381 349757724 /nfs/dbraw/zinc/75/77/24/349757724.db2.gz JZYSQOWCWCTKPL-WOPDTQHZSA-N 1 1 222.332 2.178 20 30 BEEDMO N#CCC1(C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000602835331 349775286 /nfs/dbraw/zinc/77/52/86/349775286.db2.gz AQZQGHLJFIUOIK-CQSZACIVSA-N 1 1 248.370 2.429 20 30 BEEDMO C[N@H+]1CC[C@@]2(C1)CCCN(CC1(CC#N)CC1)C2 ZINC000602835247 349775657 /nfs/dbraw/zinc/77/56/57/349775657.db2.gz IGDNCWZYRMATFL-OAHLLOKOSA-N 1 1 247.386 2.098 20 30 BEEDMO COCC1(C#N)CCN(c2cc(C)cc[nH+]2)CC1 ZINC000343150202 536800853 /nfs/dbraw/zinc/80/08/53/536800853.db2.gz PLBMMFLHCKEJHI-UHFFFAOYSA-N 1 1 245.326 2.147 20 30 BEEDMO CC(C)[N@H+]1CC[C@H](N(C)CC2(CC#N)CC2)C1 ZINC000602839297 349778168 /nfs/dbraw/zinc/77/81/68/349778168.db2.gz XULAWJFNPPNBMR-ZDUSSCGKSA-N 1 1 235.375 2.095 20 30 BEEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC2(CC#N)CC2)C1 ZINC000602839295 349778264 /nfs/dbraw/zinc/77/82/64/349778264.db2.gz XULAWJFNPPNBMR-CYBMUJFWSA-N 1 1 235.375 2.095 20 30 BEEDMO C[N@H+](CC(C)(C)C#N)CC1(CC#N)CC1 ZINC000602832553 349768372 /nfs/dbraw/zinc/76/83/72/349768372.db2.gz PPHVCDAMKRPKQD-UHFFFAOYSA-N 1 1 205.305 2.162 20 30 BEEDMO C[N@@H+](CC(C)(C)C#N)CC1(CC#N)CC1 ZINC000602832553 349768373 /nfs/dbraw/zinc/76/83/73/349768373.db2.gz PPHVCDAMKRPKQD-UHFFFAOYSA-N 1 1 205.305 2.162 20 30 BEEDMO N#CC1(F)CC[NH+](CCC(F)(F)F)CC1 ZINC000352464122 136263799 /nfs/dbraw/zinc/26/37/99/136263799.db2.gz PCBYDVKMRJHLSE-UHFFFAOYSA-N 1 1 224.201 2.266 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880003 349791269 /nfs/dbraw/zinc/79/12/69/349791269.db2.gz IYRFSWQQMQZIQT-LBPRGKRZSA-N 1 1 232.331 2.486 20 30 BEEDMO C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@H]1CCO ZINC000602883165 349791621 /nfs/dbraw/zinc/79/16/21/349791621.db2.gz NEFOHVQQVQBHHE-STQMWFEESA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602882668 349791638 /nfs/dbraw/zinc/79/16/38/349791638.db2.gz MBNHRNQXAXOPBZ-OLZOCXBDSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@@H]1CCO ZINC000602882727 349791651 /nfs/dbraw/zinc/79/16/51/349791651.db2.gz 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C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000577720347 366042261 /nfs/dbraw/zinc/04/22/61/366042261.db2.gz QXWQAKHXUYPZOF-SWLSCSKDSA-N 1 1 243.354 2.036 20 30 BEEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC000278152375 351747949 /nfs/dbraw/zinc/74/79/49/351747949.db2.gz AFYNKBNQQARGSM-WXHSDQCUSA-N 1 1 244.342 2.459 20 30 BEEDMO Cn1cc(-c2ccccc2C[NH2+]CCC#N)cn1 ZINC000577842149 366079890 /nfs/dbraw/zinc/07/98/90/366079890.db2.gz KVFMXIXIHWOVND-UHFFFAOYSA-N 1 1 240.310 2.090 20 30 BEEDMO C[C@@H](C#N)CN(C)CC[N@@H+](C)Cc1ccccc1 ZINC000281003567 351870418 /nfs/dbraw/zinc/87/04/18/351870418.db2.gz MWMNLANGEVTJQR-AWEZNQCLSA-N 1 1 245.370 2.210 20 30 BEEDMO C=CCCC[N@H+](C)Cc1ccc(=O)[nH]c1 ZINC000638100261 351980372 /nfs/dbraw/zinc/98/03/72/351980372.db2.gz XCZOLUIUGLZNRM-UHFFFAOYSA-N 1 1 206.289 2.185 20 30 BEEDMO CC#CC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285460002 352045180 /nfs/dbraw/zinc/04/51/80/352045180.db2.gz ZFXWFWZLCCDVQM-UHFFFAOYSA-N 1 1 201.269 2.392 20 30 BEEDMO Cc1noc([C@@H]2CCC[N@@H+]2CCCCC#N)n1 ZINC000285712679 352056589 /nfs/dbraw/zinc/05/65/89/352056589.db2.gz PQQQXALUCFPICH-NSHDSACASA-N 1 1 234.303 2.209 20 30 BEEDMO Cc1noc([C@@H]2CCC[N@H+]2CCCCC#N)n1 ZINC000285712679 352056592 /nfs/dbraw/zinc/05/65/92/352056592.db2.gz PQQQXALUCFPICH-NSHDSACASA-N 1 1 234.303 2.209 20 30 BEEDMO C=CCCC[N@H+](CCCO)Cc1ccccn1 ZINC000286998728 352109916 /nfs/dbraw/zinc/10/99/16/352109916.db2.gz QVLFYBDGFOWLJG-UHFFFAOYSA-N 1 1 234.343 2.232 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCOCC1(C)C ZINC000618886994 352153323 /nfs/dbraw/zinc/15/33/23/352153323.db2.gz CSKNNCZISWXVMZ-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO CCO[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000618887144 352155497 /nfs/dbraw/zinc/15/54/97/352155497.db2.gz KIDKXLNYYYKINN-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO Cc1cc(C[N@H+](C)C[C@@H](C)CCC#N)no1 ZINC000618887340 352159025 /nfs/dbraw/zinc/15/90/25/352159025.db2.gz VCXHVXQEAXAGBB-JTQLQIEISA-N 1 1 221.304 2.355 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCCSCC1 ZINC000618887645 352160683 /nfs/dbraw/zinc/16/06/83/352160683.db2.gz HTONWQNDOMWNRC-LLVKDONJSA-N 1 1 212.362 2.365 20 30 BEEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@H](C)CC#N ZINC000340292787 352163791 /nfs/dbraw/zinc/16/37/91/352163791.db2.gz ZGNKMHWKFSQFBH-ZIAGYGMSSA-N 1 1 237.391 2.483 20 30 BEEDMO COC[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000618888191 352165852 /nfs/dbraw/zinc/16/58/52/352165852.db2.gz NXUDQYRQWMMFPZ-STQMWFEESA-N 1 1 224.348 2.285 20 30 BEEDMO Cc1ncsc1CO[NH+]=C(N)C1CCCC1 ZINC000289322278 352180331 /nfs/dbraw/zinc/18/03/31/352180331.db2.gz CMVHTLFKZHRZFY-UHFFFAOYSA-N 1 1 239.344 2.431 20 30 BEEDMO C#Cc1ccc(CNCCC[N@H+](C)C(C)C)cc1 ZINC000289373109 352182400 /nfs/dbraw/zinc/18/24/00/352182400.db2.gz ZYKZZHWIIGBWTH-UHFFFAOYSA-N 1 1 244.382 2.488 20 30 BEEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000289648474 352193816 /nfs/dbraw/zinc/19/38/16/352193816.db2.gz LKCKNXDUMMKERX-WKILWMFISA-N 1 1 243.350 2.403 20 30 BEEDMO C[N@@H+](CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411140151 191162967 /nfs/dbraw/zinc/16/29/67/191162967.db2.gz ZRJWMFCARRPVOQ-UHFFFAOYSA-N 1 1 244.338 2.295 20 30 BEEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NCCC(C)C ZINC000411167294 191166419 /nfs/dbraw/zinc/16/64/19/191166419.db2.gz WREKRXPGKBKGKQ-CYBMUJFWSA-N 1 1 238.375 2.211 20 30 BEEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NCCC(C)C ZINC000411167302 191166790 /nfs/dbraw/zinc/16/67/90/191166790.db2.gz WREKRXPGKBKGKQ-ZDUSSCGKSA-N 1 1 238.375 2.211 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000411227922 191170227 /nfs/dbraw/zinc/17/02/27/191170227.db2.gz PWEKPOARBFMEET-OLZOCXBDSA-N 1 1 232.331 2.212 20 30 BEEDMO N#CC1(CC[N@@H+]2CCC[C@H]2CO)CCCCC1 ZINC000411234993 191172583 /nfs/dbraw/zinc/17/25/83/191172583.db2.gz GSWNSLANJDSYRW-ZDUSSCGKSA-N 1 1 236.359 2.307 20 30 BEEDMO C#CCC[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292509442 352323163 /nfs/dbraw/zinc/32/31/63/352323163.db2.gz VHYWXAXWVYEYKY-GFCCVEGCSA-N 1 1 215.296 2.293 20 30 BEEDMO C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000411285056 191173869 /nfs/dbraw/zinc/17/38/69/191173869.db2.gz ZOCWOOKXRGIUTG-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO N#CCCOCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000292716128 352327205 /nfs/dbraw/zinc/32/72/05/352327205.db2.gz AEVUGFHSOUWSMG-UHFFFAOYSA-N 1 1 248.301 2.114 20 30 BEEDMO N#CCCOCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000292716128 352327208 /nfs/dbraw/zinc/32/72/08/352327208.db2.gz AEVUGFHSOUWSMG-UHFFFAOYSA-N 1 1 248.301 2.114 20 30 BEEDMO N#CC1(CC[N@@H+]2CC[C@H](CO)C2)CCCCC1 ZINC000411280913 191174280 /nfs/dbraw/zinc/17/42/80/191174280.db2.gz GMQFSOWBTNOLQG-ZDUSSCGKSA-N 1 1 236.359 2.165 20 30 BEEDMO C[C@@H](CCC#N)N1CCC2(CCC[N@H+]2C)CC1 ZINC000411439224 191186021 /nfs/dbraw/zinc/18/60/21/191186021.db2.gz DRTNDBGLIIDEJK-ZDUSSCGKSA-N 1 1 235.375 2.239 20 30 BEEDMO N#CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000411462740 191187911 /nfs/dbraw/zinc/18/79/11/191187911.db2.gz QSFLRLYWRBBHHW-ZIAGYGMSSA-N 1 1 230.311 2.267 20 30 BEEDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000411490986 191188673 /nfs/dbraw/zinc/18/86/73/191188673.db2.gz UNZOHMHXEVOYID-RYUDHWBXSA-N 1 1 210.321 2.035 20 30 BEEDMO N#CCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000411501131 191189215 /nfs/dbraw/zinc/18/92/15/191189215.db2.gz HIIUZDDFSGUFSX-UHFFFAOYSA-N 1 1 246.358 2.289 20 30 BEEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)CO ZINC000120725166 352396968 /nfs/dbraw/zinc/39/69/68/352396968.db2.gz BAUZLFDJSDBUPD-CYBMUJFWSA-N 1 1 244.338 2.175 20 30 BEEDMO C[C@@H](CCC#N)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000411622131 191198113 /nfs/dbraw/zinc/19/81/13/191198113.db2.gz PKGZEINVSYNNQO-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCSC[C@@H](C)C1 ZINC000411636210 191199027 /nfs/dbraw/zinc/19/90/27/191199027.db2.gz RJEUEMOVZJHUSR-QWRGUYRKSA-N 1 1 212.362 2.364 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000411656934 191200693 /nfs/dbraw/zinc/20/06/93/191200693.db2.gz DSQNDEJJVNFNDP-NQBHXWOUSA-N 1 1 222.332 2.178 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)CCC(F)(F)F ZINC000411646173 191202498 /nfs/dbraw/zinc/20/24/98/191202498.db2.gz VDHIJDAQRQTAQD-UHFFFAOYSA-N 1 1 238.297 2.379 20 30 BEEDMO C=CCN(C)CC[N@@H+](CC)CCC(F)(F)F ZINC000411646173 191202499 /nfs/dbraw/zinc/20/24/99/191202499.db2.gz VDHIJDAQRQTAQD-UHFFFAOYSA-N 1 1 238.297 2.379 20 30 BEEDMO C=CCN(C)CC[N@H+](CC)CCC(F)(F)F ZINC000411646173 191202501 /nfs/dbraw/zinc/20/25/01/191202501.db2.gz VDHIJDAQRQTAQD-UHFFFAOYSA-N 1 1 238.297 2.379 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000411665025 191203596 /nfs/dbraw/zinc/20/35/96/191203596.db2.gz GNJVTWCFKBXJRZ-RYUDHWBXSA-N 1 1 224.348 2.426 20 30 BEEDMO C[N@@H+](CCCO)CCC1(C#N)CCCCC1 ZINC000411692247 191204319 /nfs/dbraw/zinc/20/43/19/191204319.db2.gz JCRGBBLFGKMESK-UHFFFAOYSA-N 1 1 224.348 2.165 20 30 BEEDMO CC[C@H]1C[N@H+]([C@H](C)CCC#N)CCCO1 ZINC000411681214 191204414 /nfs/dbraw/zinc/20/44/14/191204414.db2.gz ZFRBNSJSKJVSKI-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000411800952 191212697 /nfs/dbraw/zinc/21/26/97/191212697.db2.gz MAPGXJMDHXJODG-OLZOCXBDSA-N 1 1 222.332 2.181 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411800954 191213274 /nfs/dbraw/zinc/21/32/74/191213274.db2.gz MAPGXJMDHXJODG-QWHCGFSZSA-N 1 1 222.332 2.181 20 30 BEEDMO N#CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411920635 191227149 /nfs/dbraw/zinc/22/71/49/191227149.db2.gz CKOWTQZEMUICBV-UONOGXRCSA-N 1 1 230.311 2.098 20 30 BEEDMO C[C@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000334180408 352767841 /nfs/dbraw/zinc/76/78/41/352767841.db2.gz DWYXEYSPADGAGG-SMDDNHRTSA-N 1 1 249.741 2.147 20 30 BEEDMO C[C@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000334213423 352811606 /nfs/dbraw/zinc/81/16/06/352811606.db2.gz DXPRQZCIWMVQQS-WCQYABFASA-N 1 1 249.741 2.147 20 30 BEEDMO C[C@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccccc1Cl ZINC000334213423 352811607 /nfs/dbraw/zinc/81/16/07/352811607.db2.gz DXPRQZCIWMVQQS-WCQYABFASA-N 1 1 249.741 2.147 20 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C=C(C)CCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452112665 387742544 /nfs/dbraw/zinc/74/25/44/387742544.db2.gz GPTBCLDVYWZKNJ-ZDUSSCGKSA-N 1 1 210.365 2.367 20 30 BEEDMO C=CCOc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422908195 387768547 /nfs/dbraw/zinc/76/85/47/387768547.db2.gz MDBOMLXNRUBRIO-STQMWFEESA-N 1 1 248.370 2.467 20 30 BEEDMO CCOCC[N@H+](CCC#N)CC(C)(C)C ZINC000157246771 387776606 /nfs/dbraw/zinc/77/66/06/387776606.db2.gz WTFNJDBSRZJTFC-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO CCOCC[N@@H+](CCC#N)CC(C)(C)C ZINC000157246771 387776610 /nfs/dbraw/zinc/77/66/10/387776610.db2.gz WTFNJDBSRZJTFC-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO C=C(C)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150899163 387781425 /nfs/dbraw/zinc/78/14/25/387781425.db2.gz OICGDANZMRWKHZ-UHFFFAOYSA-N 1 1 213.321 2.226 20 30 BEEDMO CS[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294390015 387791289 /nfs/dbraw/zinc/79/12/89/387791289.db2.gz JPXUWMJMVYPKFQ-CYBMUJFWSA-N 1 1 232.352 2.496 20 30 BEEDMO CC[N@H+](C)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353431229 387794515 /nfs/dbraw/zinc/79/45/15/387794515.db2.gz YGWHPCTVJYNNDH-HNNXBMFYSA-N 1 1 243.354 2.087 20 30 BEEDMO CC[N@@H+](C)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353431229 387794518 /nfs/dbraw/zinc/79/45/18/387794518.db2.gz YGWHPCTVJYNNDH-HNNXBMFYSA-N 1 1 243.354 2.087 20 30 BEEDMO CC#CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000157472788 387800226 /nfs/dbraw/zinc/80/02/26/387800226.db2.gz IOPVVUJZKLYZSM-UHFFFAOYSA-N 1 1 221.275 2.160 20 30 BEEDMO C[N@@H+](Cc1ccccc1C#N)CC(C)(C)CO ZINC000294814229 387827775 /nfs/dbraw/zinc/82/77/75/387827775.db2.gz OEOYYPJREWXEGW-UHFFFAOYSA-N 1 1 232.327 2.009 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792502 387841058 /nfs/dbraw/zinc/84/10/58/387841058.db2.gz QHKAHXLGCAIREW-HZSPNIEDSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792502 387841064 /nfs/dbraw/zinc/84/10/64/387841064.db2.gz QHKAHXLGCAIREW-HZSPNIEDSA-N 1 1 247.386 2.285 20 30 BEEDMO C=C(C)C[N@H+](CC)CC(=O)NCCCCC ZINC000061758770 387845707 /nfs/dbraw/zinc/84/57/07/387845707.db2.gz RKQANOASQQXMRN-UHFFFAOYSA-N 1 1 226.364 2.191 20 30 BEEDMO CC(C)c1nc([C@H](C)N[C@H]2CC[C@@H](C#N)C2)n[nH]1 ZINC000442818945 387846066 /nfs/dbraw/zinc/84/60/66/387846066.db2.gz ADSUNOWRFULTQI-AXFHLTTASA-N 1 1 247.346 2.271 20 30 BEEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)[nH]1 ZINC000442818945 387846068 /nfs/dbraw/zinc/84/60/68/387846068.db2.gz ADSUNOWRFULTQI-AXFHLTTASA-N 1 1 247.346 2.271 20 30 BEEDMO Cc1nocc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000295333508 387873872 /nfs/dbraw/zinc/87/38/72/387873872.db2.gz MCFDFKCRCGUEKV-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO Cc1nocc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000295333508 387873878 /nfs/dbraw/zinc/87/38/78/387873878.db2.gz MCFDFKCRCGUEKV-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO C=CCCCCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193720874 387863193 /nfs/dbraw/zinc/86/31/93/387863193.db2.gz CLDBVNSZWDDXPR-AWEZNQCLSA-N 1 1 239.359 2.224 20 30 BEEDMO C=CCn1cc(C[NH2+]Cc2cccc(C)c2)nn1 ZINC000424169697 387864379 /nfs/dbraw/zinc/86/43/79/387864379.db2.gz ITGAUWOOPVTISQ-UHFFFAOYSA-N 1 1 242.326 2.062 20 30 BEEDMO C=CCn1cc(C[NH2+]Cc2ccccc2C)nn1 ZINC000424176316 387884065 /nfs/dbraw/zinc/88/40/65/387884065.db2.gz XFLINOYXBXRVNE-UHFFFAOYSA-N 1 1 242.326 2.062 20 30 BEEDMO Cc1cn2cc(Nc3ccc(C#N)cn3)ccc2[nH+]1 ZINC000354093033 387884198 /nfs/dbraw/zinc/88/41/98/387884198.db2.gz VNCHERIQVKFAKR-UHFFFAOYSA-N 1 1 249.277 2.075 20 30 BEEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCCCN1 ZINC000423120600 387900628 /nfs/dbraw/zinc/90/06/28/387900628.db2.gz HEOYYWOCQVUBRR-OLZOCXBDSA-N 1 1 237.391 2.437 20 30 BEEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)C1CC1 ZINC000444687412 387907468 /nfs/dbraw/zinc/90/74/68/387907468.db2.gz VAGWSVXSMSUYCQ-ZDUSSCGKSA-N 1 1 225.332 2.180 20 30 BEEDMO C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528357570 387908362 /nfs/dbraw/zinc/90/83/62/387908362.db2.gz ARRBCRDFMVFOMC-QWHCGFSZSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528357572 387909565 /nfs/dbraw/zinc/90/95/65/387909565.db2.gz ARRBCRDFMVFOMC-STQMWFEESA-N 1 1 236.359 2.163 20 30 BEEDMO CC#CCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000155624202 387910679 /nfs/dbraw/zinc/91/06/79/387910679.db2.gz RZBHHBORBWVIIO-UHFFFAOYSA-N 1 1 230.355 2.468 20 30 BEEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)COC)CCCC1(C)C ZINC000444780237 387930077 /nfs/dbraw/zinc/93/00/77/387930077.db2.gz ZYLNQVROYMLKDF-CHWSQXEVSA-N 1 1 241.375 2.060 20 30 BEEDMO Cc1nocc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000295425604 387930876 /nfs/dbraw/zinc/93/08/76/387930876.db2.gz SQVNEIBQBIPWQD-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO Cc1nocc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000295425604 387930881 /nfs/dbraw/zinc/93/08/81/387930881.db2.gz SQVNEIBQBIPWQD-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO CC[N@@H+](CCNCc1cccc(C#N)c1)C(C)C ZINC000102429676 387922480 /nfs/dbraw/zinc/92/24/80/387922480.db2.gz JTRBHOLWOGMOQL-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO CCN(CC[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000102429676 387922483 /nfs/dbraw/zinc/92/24/83/387922483.db2.gz JTRBHOLWOGMOQL-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508976 387923561 /nfs/dbraw/zinc/92/35/61/387923561.db2.gz YEOQHVYFWRREMZ-JTQLQIEISA-N 1 1 245.750 2.403 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508976 387923567 /nfs/dbraw/zinc/92/35/67/387923567.db2.gz YEOQHVYFWRREMZ-JTQLQIEISA-N 1 1 245.750 2.403 20 30 BEEDMO C=CC[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444773443 387926746 /nfs/dbraw/zinc/92/67/46/387926746.db2.gz DJOOFNAFFMZMNW-ZDUSSCGKSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444770942 387927238 /nfs/dbraw/zinc/92/72/38/387927238.db2.gz MSCSLZMQUISOOZ-OLZOCXBDSA-N 1 1 238.375 2.045 20 30 BEEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCCN1 ZINC000423165495 387947506 /nfs/dbraw/zinc/94/75/06/387947506.db2.gz YEDITGYRZIRBNC-XDQVBPFNSA-N 1 1 235.375 2.189 20 30 BEEDMO CCOCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166776 387947722 /nfs/dbraw/zinc/94/77/22/387947722.db2.gz WVVQVQIBGLBKCX-LBPRGKRZSA-N 1 1 210.321 2.039 20 30 BEEDMO C=CC[N@H+](CC[C@@H](C)O)Cc1ccccc1 ZINC000438991630 387971790 /nfs/dbraw/zinc/97/17/90/387971790.db2.gz DCDRLORSETVEIY-CYBMUJFWSA-N 1 1 219.328 2.446 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439274306 387989924 /nfs/dbraw/zinc/98/99/24/387989924.db2.gz OQZGPFDJFMXKPP-MELADBBJSA-N 1 1 241.375 2.467 20 30 BEEDMO C=CCC[N@H+](C)CCc1ccncc1C ZINC000645885752 387984566 /nfs/dbraw/zinc/98/45/66/387984566.db2.gz CIYRMARLXCEQDI-UHFFFAOYSA-N 1 1 204.317 2.440 20 30 BEEDMO C=C(CC)C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000439442889 387998161 /nfs/dbraw/zinc/99/81/61/387998161.db2.gz TUARZOOPSDFLAJ-QWHCGFSZSA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000439442889 387998166 /nfs/dbraw/zinc/99/81/66/387998166.db2.gz TUARZOOPSDFLAJ-QWHCGFSZSA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000439442890 387998406 /nfs/dbraw/zinc/99/84/06/387998406.db2.gz TUARZOOPSDFLAJ-STQMWFEESA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000439442890 387998410 /nfs/dbraw/zinc/99/84/10/387998410.db2.gz TUARZOOPSDFLAJ-STQMWFEESA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000439442887 387998898 /nfs/dbraw/zinc/99/88/98/387998898.db2.gz TUARZOOPSDFLAJ-CHWSQXEVSA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000439442887 387998901 /nfs/dbraw/zinc/99/89/01/387998901.db2.gz TUARZOOPSDFLAJ-CHWSQXEVSA-N 1 1 237.343 2.023 20 30 BEEDMO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424374481 387998986 /nfs/dbraw/zinc/99/89/86/387998986.db2.gz LFNGDFFOUOYEQE-FDYHWXHSSA-N 1 1 210.365 2.447 20 30 BEEDMO C=CCOCCC[N@H+]1CCCO[C@@H](CC)C1 ZINC000439473522 387999825 /nfs/dbraw/zinc/99/98/25/387999825.db2.gz AONGFYCVIPGVLS-ZDUSSCGKSA-N 1 1 227.348 2.080 20 30 BEEDMO C[C@@H](CNCc1cccc(C#N)c1)[N@H+](C)C1CC1 ZINC000105488767 388019921 /nfs/dbraw/zinc/01/99/21/388019921.db2.gz URPSQUBISQEQCH-LBPRGKRZSA-N 1 1 243.354 2.131 20 30 BEEDMO C[C@@H](CNCc1cccc(C#N)c1)[N@@H+](C)C1CC1 ZINC000105488767 388019925 /nfs/dbraw/zinc/01/99/25/388019925.db2.gz URPSQUBISQEQCH-LBPRGKRZSA-N 1 1 243.354 2.131 20 30 BEEDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289845 388036346 /nfs/dbraw/zinc/03/63/46/388036346.db2.gz JFVIIJCVCJFFHA-QTVXIADOSA-N 1 1 249.402 2.387 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1CCO ZINC000083640360 388056382 /nfs/dbraw/zinc/05/63/82/388056382.db2.gz XOWQPRVWCCXIRB-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C=CCC[C@H]([NH2+]C[C@@H](N)C(C)C)C1CC1 ZINC000423280388 388061797 /nfs/dbraw/zinc/06/17/97/388061797.db2.gz UBLBIMQNAZHKJP-OLZOCXBDSA-N 1 1 210.365 2.304 20 30 BEEDMO C=CC[C@@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000336658070 388073292 /nfs/dbraw/zinc/07/32/92/388073292.db2.gz BAXIGFUWMPIRCB-SECBINFHSA-N 1 1 205.305 2.146 20 30 BEEDMO C=CCC(C)(C)C[NH2+][C@H](C(=O)OC)C1CC1 ZINC000336660159 388091356 /nfs/dbraw/zinc/09/13/56/388091356.db2.gz REAPUCCZRBGDQE-NSHDSACASA-N 1 1 225.332 2.130 20 30 BEEDMO CC(C)(C)[C@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000447837266 388096196 /nfs/dbraw/zinc/09/61/96/388096196.db2.gz SXEQCHBVDJWZIP-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO C=C(C)CC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000453321317 388046747 /nfs/dbraw/zinc/04/67/47/388046747.db2.gz PRTDOYCHGRGIQH-CYBMUJFWSA-N 1 1 242.326 2.450 20 30 BEEDMO C=C(CC)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000453344653 388050738 /nfs/dbraw/zinc/05/07/38/388050738.db2.gz DXRXJTLNMGWCKF-MJBXVCDLSA-N 1 1 222.376 2.415 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000456121325 388179984 /nfs/dbraw/zinc/17/99/84/388179984.db2.gz XERDIDNNRXYFJX-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(F)F ZINC000449366567 388183307 /nfs/dbraw/zinc/18/33/07/388183307.db2.gz ZAMCWDXYEIWOQV-HLTSFMKQSA-N 1 1 202.248 2.312 20 30 BEEDMO CCN1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449089073 388140491 /nfs/dbraw/zinc/14/04/91/388140491.db2.gz IVTHOVCJDYQEOG-WLYUNCDWSA-N 1 1 249.402 2.390 20 30 BEEDMO C#CC[N@@H+](CC[C@@H]1CCOC1)C1CCCC1 ZINC000490719407 388249242 /nfs/dbraw/zinc/24/92/42/388249242.db2.gz MMWRIALTIPNOOK-CYBMUJFWSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CCC[C@@H]([NH2+]CC(C)C)C(=O)OCC ZINC000449657551 388249695 /nfs/dbraw/zinc/24/96/95/388249695.db2.gz PQSFNUJZDRVUCX-LLVKDONJSA-N 1 1 213.321 2.130 20 30 BEEDMO C#CC[N@H+](CC)[C@H](COC)Cc1ccccc1 ZINC000490778783 388253671 /nfs/dbraw/zinc/25/36/71/388253671.db2.gz LDTPRDQZRYUGPH-HNNXBMFYSA-N 1 1 231.339 2.199 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000490819999 388255517 /nfs/dbraw/zinc/25/55/17/388255517.db2.gz MCSKKXYVTNZVBW-CYBMUJFWSA-N 1 1 234.343 2.040 20 30 BEEDMO C#CC[N@@H+]1CCc2cc(OCC)ccc2C1 ZINC000490853103 388256861 /nfs/dbraw/zinc/25/68/61/388256861.db2.gz QEWDZMPIVXPVLU-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C#CC[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000490853103 388256862 /nfs/dbraw/zinc/25/68/62/388256862.db2.gz QEWDZMPIVXPVLU-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ncc[nH]1 ZINC000138955609 388257069 /nfs/dbraw/zinc/25/70/69/388257069.db2.gz WWBYGHOFHHGACM-JTQLQIEISA-N 1 1 226.283 2.132 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cnc(Cl)c(C)c1 ZINC000490877042 388257983 /nfs/dbraw/zinc/25/79/83/388257983.db2.gz WASJUKABPANGGI-UHFFFAOYSA-N 1 1 222.719 2.499 20 30 BEEDMO C#CC[N@H+](CC)Cc1cnc(Cl)c(C)c1 ZINC000490877042 388257984 /nfs/dbraw/zinc/25/79/84/388257984.db2.gz WASJUKABPANGGI-UHFFFAOYSA-N 1 1 222.719 2.499 20 30 BEEDMO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000449404891 388196558 /nfs/dbraw/zinc/19/65/58/388196558.db2.gz GGEUSRQXHNAEEZ-QWRGUYRKSA-N 1 1 247.346 2.100 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)CC ZINC000489471455 388217654 /nfs/dbraw/zinc/21/76/54/388217654.db2.gz FYKJNOLOQUZUTH-GFCCVEGCSA-N 1 1 238.375 2.332 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)CC(F)(F)F ZINC000489473925 388217736 /nfs/dbraw/zinc/21/77/36/388217736.db2.gz JKTQILVOGFBIFX-VHSXEESVSA-N 1 1 237.265 2.340 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C=C ZINC000489504447 388220103 /nfs/dbraw/zinc/22/01/03/388220103.db2.gz ADISUNNSDDGXFN-OLZOCXBDSA-N 1 1 209.333 2.354 20 30 BEEDMO C=C(CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000456815676 388225050 /nfs/dbraw/zinc/22/50/50/388225050.db2.gz YTVGDUNECYIWKY-CQSZACIVSA-N 1 1 246.354 2.372 20 30 BEEDMO CC[C@@H](CSC)[N@@H+](C)CCCC#N ZINC000091097199 256576517 /nfs/dbraw/zinc/57/65/17/256576517.db2.gz UQUFOENMAGZIKP-JTQLQIEISA-N 1 1 200.351 2.364 20 30 BEEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000490689059 388247359 /nfs/dbraw/zinc/24/73/59/388247359.db2.gz MRFBSUODYZYKEU-CQSZACIVSA-N 1 1 247.313 2.297 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCCO[C@@H]1CCCCO1 ZINC000491307567 388282499 /nfs/dbraw/zinc/28/24/99/388282499.db2.gz QSMLUJICSVMTPH-CYBMUJFWSA-N 1 1 239.359 2.263 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000491285700 388282533 /nfs/dbraw/zinc/28/25/33/388282533.db2.gz FDAHODLAQZTSKA-JTQLQIEISA-N 1 1 216.259 2.151 20 30 BEEDMO C=CCCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451622409 388284923 /nfs/dbraw/zinc/28/49/23/388284923.db2.gz GFENOIDZRWJRQY-HZSPNIEDSA-N 1 1 222.376 2.367 20 30 BEEDMO C#CC[N@H+](Cc1c(C)cnn1C)C1CCCC1 ZINC000491348685 388287086 /nfs/dbraw/zinc/28/70/86/388287086.db2.gz DWXRBHSBMHDKCN-UHFFFAOYSA-N 1 1 231.343 2.106 20 30 BEEDMO C#CC[N@H+](CCCOCC(F)(F)F)C1CC1 ZINC000491350620 388287303 /nfs/dbraw/zinc/28/73/03/388287303.db2.gz OQAMVYXEUMXXJS-UHFFFAOYSA-N 1 1 235.249 2.053 20 30 BEEDMO C=CC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451639795 388287322 /nfs/dbraw/zinc/28/73/22/388287322.db2.gz BCJYHZNRZSCBGD-UHFFFAOYSA-N 1 1 219.284 2.076 20 30 BEEDMO C=CC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451639795 388287323 /nfs/dbraw/zinc/28/73/23/388287323.db2.gz BCJYHZNRZSCBGD-UHFFFAOYSA-N 1 1 219.284 2.076 20 30 BEEDMO C#CC[N@H+](Cc1ncccc1O)C1CCCC1 ZINC000491351380 388287644 /nfs/dbraw/zinc/28/76/44/388287644.db2.gz TVEXJBBTQAKJIH-UHFFFAOYSA-N 1 1 230.311 2.165 20 30 BEEDMO C#CC[N@@H+](CCCC1CCOCC1)C1CC1 ZINC000491349555 388287759 /nfs/dbraw/zinc/28/77/59/388287759.db2.gz IWWLACZUKFYKFH-UHFFFAOYSA-N 1 1 221.344 2.291 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCC1 ZINC000451696174 388290254 /nfs/dbraw/zinc/29/02/54/388290254.db2.gz FWHZUAWPXBYWMY-RDBSUJKOSA-N 1 1 248.370 2.163 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCC1 ZINC000451696171 388290517 /nfs/dbraw/zinc/29/05/17/388290517.db2.gz FWHZUAWPXBYWMY-HZSPNIEDSA-N 1 1 248.370 2.163 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC000491381520 388290571 /nfs/dbraw/zinc/29/05/71/388290571.db2.gz FUXYDEHRFMUUMT-LBPRGKRZSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc2ccc(C)cn12 ZINC000491381520 388290572 /nfs/dbraw/zinc/29/05/72/388290572.db2.gz FUXYDEHRFMUUMT-LBPRGKRZSA-N 1 1 227.311 2.096 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451705525 388290775 /nfs/dbraw/zinc/29/07/75/388290775.db2.gz ZBSRYXUSVDAZSL-MCIONIFRSA-N 1 1 223.360 2.436 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701800 388290888 /nfs/dbraw/zinc/29/08/88/388290888.db2.gz RKXSZICPHLKCHW-HZSPNIEDSA-N 1 1 223.360 2.436 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000491413911 388293015 /nfs/dbraw/zinc/29/30/15/388293015.db2.gz ABPKLYDNXDFFOV-SNVBAGLBSA-N 1 1 249.310 2.082 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000491413911 388293017 /nfs/dbraw/zinc/29/30/17/388293017.db2.gz ABPKLYDNXDFFOV-SNVBAGLBSA-N 1 1 249.310 2.082 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000491425518 388293766 /nfs/dbraw/zinc/29/37/66/388293766.db2.gz ACOQRRJGZXQTKD-LLVKDONJSA-N 1 1 240.306 2.394 20 30 BEEDMO C#CC[N@H+](C[C@H](OC)C1CC1)C1CCCC1 ZINC000491450626 388295258 /nfs/dbraw/zinc/29/52/58/388295258.db2.gz BCSGBTZLWBRNNW-AWEZNQCLSA-N 1 1 221.344 2.289 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451780585 388295582 /nfs/dbraw/zinc/29/55/82/388295582.db2.gz NTRXGDPOUACLPX-CHWSQXEVSA-N 1 1 243.391 2.042 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491453872 388295861 /nfs/dbraw/zinc/29/58/61/388295861.db2.gz UFSLRYSFPHHLOA-MRVPVSSYSA-N 1 1 226.682 2.328 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491453872 388295863 /nfs/dbraw/zinc/29/58/63/388295863.db2.gz UFSLRYSFPHHLOA-MRVPVSSYSA-N 1 1 226.682 2.328 20 30 BEEDMO C[N@@H+](CCCC#N)[C@H](CO)CC(C)(C)C ZINC000451784572 388295941 /nfs/dbraw/zinc/29/59/41/388295941.db2.gz UNVPJWIGRAAZIX-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO C#CC[N@H+](C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000491466003 388296644 /nfs/dbraw/zinc/29/66/44/388296644.db2.gz YRDBAMBVFHQUAF-HIFRSBDPSA-N 1 1 235.371 2.415 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000491495594 388298733 /nfs/dbraw/zinc/29/87/33/388298733.db2.gz JVGUXGQXBILIGG-NSHDSACASA-N 1 1 232.283 2.357 20 30 BEEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854782 388301539 /nfs/dbraw/zinc/30/15/39/388301539.db2.gz RJDKKANWTWXJGP-VXGBXAGGSA-N 1 1 234.343 2.180 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000491536398 388302230 /nfs/dbraw/zinc/30/22/30/388302230.db2.gz JLLUOHUBDMNPJM-NSHDSACASA-N 1 1 230.311 2.099 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000491543217 388302570 /nfs/dbraw/zinc/30/25/70/388302570.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C#CC[N@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000491543217 388302571 /nfs/dbraw/zinc/30/25/71/388302571.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2nc[nH]c2c1)C1CC1 ZINC000491543217 388302572 /nfs/dbraw/zinc/30/25/72/388302572.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000491546718 388303013 /nfs/dbraw/zinc/30/30/13/388303013.db2.gz WZAJGXWNACEAMA-XQQFMLRXSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC[N@@H+](Cc1ncc(C)cn1)C1CCCC1 ZINC000491547187 388303124 /nfs/dbraw/zinc/30/31/24/388303124.db2.gz ZKFWPZLAFJTFEJ-UHFFFAOYSA-N 1 1 229.327 2.163 20 30 BEEDMO C#CC[N@H+](Cc1ncc(C)cn1)C1CCCC1 ZINC000491547187 388303125 /nfs/dbraw/zinc/30/31/25/388303125.db2.gz ZKFWPZLAFJTFEJ-UHFFFAOYSA-N 1 1 229.327 2.163 20 30 BEEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000491555847 388303567 /nfs/dbraw/zinc/30/35/67/388303567.db2.gz UKILZFONDIXQIN-UHFFFAOYSA-N 1 1 246.354 2.185 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC1(Br)CC1 ZINC000491653189 388308060 /nfs/dbraw/zinc/30/80/60/388308060.db2.gz CEJUOESYQKEZNJ-UHFFFAOYSA-N 1 1 230.149 2.258 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)cn1 ZINC000491665448 388309433 /nfs/dbraw/zinc/30/94/33/388309433.db2.gz ITTJUTHVGPUKAQ-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cn1 ZINC000491665448 388309434 /nfs/dbraw/zinc/30/94/34/388309434.db2.gz ITTJUTHVGPUKAQ-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000491701252 388312723 /nfs/dbraw/zinc/31/27/23/388312723.db2.gz KZASJBMQCLLJJQ-VIFPVBQESA-N 1 1 204.298 2.073 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000491701252 388312724 /nfs/dbraw/zinc/31/27/24/388312724.db2.gz KZASJBMQCLLJJQ-VIFPVBQESA-N 1 1 204.298 2.073 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)cc(OC)nc1C ZINC000491704762 388313119 /nfs/dbraw/zinc/31/31/19/388313119.db2.gz BTFQINFCKYPNQF-LLVKDONJSA-N 1 1 232.327 2.161 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491706874 388313255 /nfs/dbraw/zinc/31/32/55/388313255.db2.gz FHTAGPMOPVDIMN-STMXVASLSA-N 1 1 244.338 2.447 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000491710594 388313751 /nfs/dbraw/zinc/31/37/51/388313751.db2.gz UQKXSSCVIPXGRM-GUTXKFCHSA-N 1 1 231.339 2.105 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(CC)nc1 ZINC000491716392 388314307 /nfs/dbraw/zinc/31/43/07/388314307.db2.gz NAUYHVLDJLRLNC-LLVKDONJSA-N 1 1 202.301 2.098 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(CC)cn1 ZINC000491735175 388316209 /nfs/dbraw/zinc/31/62/09/388316209.db2.gz SSNYTUFYGJGDFI-LLVKDONJSA-N 1 1 202.301 2.098 20 30 BEEDMO C#CCn1ccc(C[N@H+](CC)CC(=C)CC)n1 ZINC000491777182 388319854 /nfs/dbraw/zinc/31/98/54/388319854.db2.gz WRFKHHLIBMTYNY-UHFFFAOYSA-N 1 1 231.343 2.304 20 30 BEEDMO C#CCn1ccc(C[N@@H+](CC)CC(=C)CC)n1 ZINC000491777182 388319855 /nfs/dbraw/zinc/31/98/55/388319855.db2.gz WRFKHHLIBMTYNY-UHFFFAOYSA-N 1 1 231.343 2.304 20 30 BEEDMO C#CC[N@@H+](C)CCc1cccc(F)c1F ZINC000491784296 388320864 /nfs/dbraw/zinc/32/08/64/388320864.db2.gz PILVVZQOEMSWCK-UHFFFAOYSA-N 1 1 209.239 2.072 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nsc1C ZINC000491785287 388320900 /nfs/dbraw/zinc/32/09/00/388320900.db2.gz MOAAOUFPTDVPNY-MRVPVSSYSA-N 1 1 208.330 2.213 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nsc1C ZINC000491785287 388320901 /nfs/dbraw/zinc/32/09/01/388320901.db2.gz MOAAOUFPTDVPNY-MRVPVSSYSA-N 1 1 208.330 2.213 20 30 BEEDMO C#CC[N@H+](C)C[C@H]1CCCCC1(F)F ZINC000491785482 388321076 /nfs/dbraw/zinc/32/10/76/388321076.db2.gz SIOVMFDMEHBXJX-SNVBAGLBSA-N 1 1 201.260 2.377 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000491812848 388322994 /nfs/dbraw/zinc/32/29/94/388322994.db2.gz ORKAXIMVONVAGZ-NSHDSACASA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)CC(=C)C ZINC000490986467 388263577 /nfs/dbraw/zinc/26/35/77/388263577.db2.gz SJEYTFOGHADLJF-UONOGXRCSA-N 1 1 249.354 2.230 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000490985012 388263621 /nfs/dbraw/zinc/26/36/21/388263621.db2.gz JLRNKAPEAXDTBR-LLVKDONJSA-N 1 1 219.332 2.226 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(C(C)C)nc1C ZINC000490985012 388263623 /nfs/dbraw/zinc/26/36/23/388263623.db2.gz JLRNKAPEAXDTBR-LLVKDONJSA-N 1 1 219.332 2.226 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)CC(=C)C ZINC000490986465 388263703 /nfs/dbraw/zinc/26/37/03/388263703.db2.gz SJEYTFOGHADLJF-KBPBESRZSA-N 1 1 249.354 2.230 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367636 388265798 /nfs/dbraw/zinc/26/57/98/388265798.db2.gz KHVIPCXNGCXUIZ-LEOABGAYSA-N 1 1 247.382 2.458 20 30 BEEDMO C[C@@]12C[N@@H+](CC3(C#N)CC3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379056 388267739 /nfs/dbraw/zinc/26/77/39/388267739.db2.gz YTCLPAPEVVWOER-RFGFWPKPSA-N 1 1 228.339 2.434 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(COC)cc1 ZINC000491069629 388268050 /nfs/dbraw/zinc/26/80/50/388268050.db2.gz XPIMPVBFHWGJMC-GFCCVEGCSA-N 1 1 217.312 2.287 20 30 BEEDMO CC(C)(C#N)CCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451435362 388273352 /nfs/dbraw/zinc/27/33/52/388273352.db2.gz RAURFJZDIDWBOS-GFCCVEGCSA-N 1 1 246.301 2.018 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(OCC)n1 ZINC000491165592 388274475 /nfs/dbraw/zinc/27/44/75/388274475.db2.gz LYAIMXOWRPLNPE-UHFFFAOYSA-N 1 1 232.327 2.324 20 30 BEEDMO C#CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000491192474 388275460 /nfs/dbraw/zinc/27/54/60/388275460.db2.gz OTKMDYRXSYXTSX-KGLIPLIRSA-N 1 1 231.339 2.106 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000491252292 388278301 /nfs/dbraw/zinc/27/83/01/388278301.db2.gz HDSCNFVFLUOYPC-GXFFZTMASA-N 1 1 237.730 2.327 20 30 BEEDMO C#CC[N@H+](C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000491240767 388279146 /nfs/dbraw/zinc/27/91/46/388279146.db2.gz CPCRYBRQEMGVSX-GFCCVEGCSA-N 1 1 207.317 2.042 20 30 BEEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000491240644 388279207 /nfs/dbraw/zinc/27/92/07/388279207.db2.gz BNSOFBOIIUFFJF-UHFFFAOYSA-N 1 1 228.270 2.295 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451522748 388279252 /nfs/dbraw/zinc/27/92/52/388279252.db2.gz BUFPQWZGVMYHOT-KBPBESRZSA-N 1 1 241.375 2.326 20 30 BEEDMO C#CC[N@H+](C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000491240768 388279362 /nfs/dbraw/zinc/27/93/62/388279362.db2.gz CPCRYBRQEMGVSX-LBPRGKRZSA-N 1 1 207.317 2.042 20 30 BEEDMO C=CCCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000359529482 256683526 /nfs/dbraw/zinc/68/35/26/256683526.db2.gz PEVIOGRTPLJKEJ-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648788091 388356717 /nfs/dbraw/zinc/35/67/17/388356717.db2.gz RDIHJLDIMYYXCR-NWDGAFQWSA-N 1 1 249.358 2.477 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cnn(C)c1 ZINC000162877499 388363332 /nfs/dbraw/zinc/36/33/32/388363332.db2.gz HRHHGMXHKUQDNT-LLVKDONJSA-N 1 1 240.310 2.143 20 30 BEEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459744353 388366413 /nfs/dbraw/zinc/36/64/13/388366413.db2.gz HRIFEHQIQNMRIZ-LLVKDONJSA-N 1 1 240.310 2.143 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1O ZINC000089883020 388370078 /nfs/dbraw/zinc/37/00/78/388370078.db2.gz MNDMZKITVXWZLG-CABCVRRESA-N 1 1 244.338 2.294 20 30 BEEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1 ZINC000648799609 388370954 /nfs/dbraw/zinc/37/09/54/388370954.db2.gz DNXKUZGXSVDYPA-IUODEOHRSA-N 1 1 247.338 2.207 20 30 BEEDMO CC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000171648135 388405620 /nfs/dbraw/zinc/40/56/20/388405620.db2.gz HNJKJVAQFSEDJO-HNNXBMFYSA-N 1 1 244.338 2.294 20 30 BEEDMO CC[N@@H+](C)CCNc1c(F)cc(C#N)cc1F ZINC000133613441 388388477 /nfs/dbraw/zinc/38/84/77/388388477.db2.gz FGKRRPFWTXLPPQ-UHFFFAOYSA-N 1 1 239.269 2.200 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cccc(O)c1 ZINC000164676094 388396100 /nfs/dbraw/zinc/39/61/00/388396100.db2.gz NAHYFUWOROVRKT-UHFFFAOYSA-N 1 1 204.273 2.032 20 30 BEEDMO COc1ccccc1C[NH2+]CC(C)(C)C#N ZINC000164696255 388397817 /nfs/dbraw/zinc/39/78/17/388397817.db2.gz NACDMPSTZJHDSS-UHFFFAOYSA-N 1 1 218.300 2.335 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246284324 388442510 /nfs/dbraw/zinc/44/25/10/388442510.db2.gz CPFITJSNYBPEOR-NWDGAFQWSA-N 1 1 230.311 2.340 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C)C1 ZINC000246284324 388442513 /nfs/dbraw/zinc/44/25/13/388442513.db2.gz CPFITJSNYBPEOR-NWDGAFQWSA-N 1 1 230.311 2.340 20 30 BEEDMO CC(C)(C#N)CCNC(C)(C)C[NH+]1CCCC1 ZINC000308635420 388445819 /nfs/dbraw/zinc/44/58/19/388445819.db2.gz NOBDYBUEOVWHBN-UHFFFAOYSA-N 1 1 237.391 2.390 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccs1 ZINC000649237544 388465307 /nfs/dbraw/zinc/46/53/07/388465307.db2.gz VDFKZSFKSBFSSL-LLVKDONJSA-N 1 1 211.330 2.117 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000170819665 388468814 /nfs/dbraw/zinc/46/88/14/388468814.db2.gz VIDRNZZBWVYDSM-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOCCC#N ZINC000339009501 388477808 /nfs/dbraw/zinc/47/78/08/388477808.db2.gz KJKLAIOBHLHKMU-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO CCC1(CC)CC[N@@H+](CCOCCC#N)C1 ZINC000339016051 388478873 /nfs/dbraw/zinc/47/88/73/388478873.db2.gz YBHHTKIPSUKHKM-UHFFFAOYSA-N 1 1 224.348 2.429 20 30 BEEDMO C=C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648820468 388414125 /nfs/dbraw/zinc/41/41/25/388414125.db2.gz IHJYNCGVPHVWQV-WDEREUQCSA-N 1 1 235.331 2.087 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCC[C@H]1O ZINC000245972474 388435772 /nfs/dbraw/zinc/43/57/72/388435772.db2.gz OFAGDCHHROVBSK-SMDDNHRTSA-N 1 1 248.326 2.134 20 30 BEEDMO C=CCCC(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000548453997 388539889 /nfs/dbraw/zinc/53/98/89/388539889.db2.gz HRINKFIMCNWDQG-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC1(C#N)CC1 ZINC000528560601 388547060 /nfs/dbraw/zinc/54/70/60/388547060.db2.gz LHHPVZXOHXEEKN-WTUNAVPPSA-N 1 1 248.370 2.304 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000339754657 388486263 /nfs/dbraw/zinc/48/62/63/388486263.db2.gz UFQVEMNNBRYYCJ-GFCCVEGCSA-N 1 1 224.348 2.021 20 30 BEEDMO C=C(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648921254 388494891 /nfs/dbraw/zinc/49/48/91/388494891.db2.gz QAIDLXMDBXIRPW-LBPRGKRZSA-N 1 1 249.358 2.479 20 30 BEEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342694604 388499433 /nfs/dbraw/zinc/49/94/33/388499433.db2.gz OGZUBCSOCXJUEN-UHFFFAOYSA-N 1 1 244.338 2.363 20 30 BEEDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000347477374 388522972 /nfs/dbraw/zinc/52/29/72/388522972.db2.gz PZKVLZZODHSLMP-ZDUSSCGKSA-N 1 1 246.354 2.345 20 30 BEEDMO C=CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591121 388549991 /nfs/dbraw/zinc/54/99/91/388549991.db2.gz DBVJOPAXNLYDRG-UHFFFAOYSA-N 1 1 231.343 2.318 20 30 BEEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000136314892 388530494 /nfs/dbraw/zinc/53/04/94/388530494.db2.gz DJGGYXNIZBMASU-WFASDCNBSA-N 1 1 244.338 2.151 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](OCCC)CC1 ZINC000649303428 388586578 /nfs/dbraw/zinc/58/65/78/388586578.db2.gz RQWONARUSIKHAL-KBPBESRZSA-N 1 1 241.375 2.205 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000649303429 388586658 /nfs/dbraw/zinc/58/66/58/388586658.db2.gz RQWONARUSIKHAL-KGLIPLIRSA-N 1 1 241.375 2.205 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000185667765 388590353 /nfs/dbraw/zinc/59/03/53/388590353.db2.gz GQFOOKXLENYVOO-CHWSQXEVSA-N 1 1 238.375 2.141 20 30 BEEDMO CC#CC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000550127932 388599570 /nfs/dbraw/zinc/59/95/70/388599570.db2.gz OYHJEFLMSMMNKS-CYBMUJFWSA-N 1 1 221.344 2.433 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](CC)CC1 ZINC000649315980 388604379 /nfs/dbraw/zinc/60/43/79/388604379.db2.gz HWTKSYQNXPKLFG-QWHCGFSZSA-N 1 1 211.349 2.436 20 30 BEEDMO CCCC[N@@H+](C)CCNc1cccnc1C#N ZINC000357256913 388613327 /nfs/dbraw/zinc/61/33/27/388613327.db2.gz BBFNFPAINOQNJD-UHFFFAOYSA-N 1 1 232.331 2.097 20 30 BEEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](COCC)C1 ZINC000528725305 388562706 /nfs/dbraw/zinc/56/27/06/388562706.db2.gz PYBLQRVUJLPUGJ-KGLIPLIRSA-N 1 1 241.375 2.469 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(C#N)cc1 ZINC000112343027 388667184 /nfs/dbraw/zinc/66/71/84/388667184.db2.gz CMVCLJGMMOZFRH-LLVKDONJSA-N 1 1 240.310 2.143 20 30 BEEDMO COC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000077897274 388678402 /nfs/dbraw/zinc/67/84/02/388678402.db2.gz MMZGQFSRJXTACD-LBPRGKRZSA-N 1 1 248.301 2.166 20 30 BEEDMO C#CC[N@H+](C)Cc1cccc(OC(F)F)c1 ZINC000064992881 388679909 /nfs/dbraw/zinc/67/99/09/388679909.db2.gz RWEYOOOPAISSBY-UHFFFAOYSA-N 1 1 225.238 2.353 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000525977497 388682646 /nfs/dbraw/zinc/68/26/46/388682646.db2.gz LKDAEZUDINGTGX-UHFFFAOYSA-N 1 1 218.275 2.492 20 30 BEEDMO C=CCC[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530177179 388621305 /nfs/dbraw/zinc/62/13/05/388621305.db2.gz ILDWDODDQOCQOE-VXGBXAGGSA-N 1 1 208.349 2.215 20 30 BEEDMO Cc1ccc(NC[C@H]2CCC[N@H+](C)C2)nc1C#N ZINC000302621193 388623463 /nfs/dbraw/zinc/62/34/63/388623463.db2.gz GYGQVNSVBWDQJD-GFCCVEGCSA-N 1 1 244.342 2.015 20 30 BEEDMO CC(C)[N@@H+](C)CCNc1c(C#N)cccc1C#N ZINC000302896336 388628344 /nfs/dbraw/zinc/62/83/44/388628344.db2.gz RBQYWCGURKEKGS-UHFFFAOYSA-N 1 1 242.326 2.182 20 30 BEEDMO N#CCC[N@@H+](CC[C@H]1CCCO1)CC1CC1 ZINC000189499266 388635088 /nfs/dbraw/zinc/63/50/88/388635088.db2.gz XENZGOSVQLDGTB-CYBMUJFWSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CCCC[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000189544349 388637471 /nfs/dbraw/zinc/63/74/71/388637471.db2.gz YZOSIEGUKYMANN-VIFPVBQESA-N 1 1 225.254 2.198 20 30 BEEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1CC(=O)NCC ZINC000551720279 388638282 /nfs/dbraw/zinc/63/82/82/388638282.db2.gz RHKDEDSOZYISES-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1O ZINC000061947953 388648179 /nfs/dbraw/zinc/64/81/79/388648179.db2.gz FKTRZEFCNCMRSH-GJZGRUSLSA-N 1 1 244.338 2.294 20 30 BEEDMO CC[N@H+](Cc1ccc(C#N)cn1)CC1CC1 ZINC000515495526 388649173 /nfs/dbraw/zinc/64/91/73/388649173.db2.gz GQXDFRNRUQJVHT-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@H]1CSCC[N@@H+](CCCCC#N)C1 ZINC000190392438 388649612 /nfs/dbraw/zinc/64/96/12/388649612.db2.gz NGYOTQWNTRPFJC-LLVKDONJSA-N 1 1 212.362 2.365 20 30 BEEDMO C[C@@H]1CSCC[N@@H+](CCCCC#N)C1 ZINC000190392457 388649655 /nfs/dbraw/zinc/64/96/55/388649655.db2.gz NGYOTQWNTRPFJC-NSHDSACASA-N 1 1 212.362 2.365 20 30 BEEDMO CC(C)[N@@H+](C)CCNc1cccc(F)c1C#N ZINC000112090980 388662962 /nfs/dbraw/zinc/66/29/62/388662962.db2.gz JJBSKHUEIWFTFG-UHFFFAOYSA-N 1 1 235.306 2.449 20 30 BEEDMO N#Cc1csc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820707 388746544 /nfs/dbraw/zinc/74/65/44/388746544.db2.gz RMQWHIQKEQWPQC-CYBMUJFWSA-N 1 1 248.351 2.232 20 30 BEEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000449495303 388749416 /nfs/dbraw/zinc/74/94/16/388749416.db2.gz OCPBFRVEVXWJFB-BXUZGUMPSA-N 1 1 248.326 2.398 20 30 BEEDMO CC[C@@H](NCCC[NH2+]C)c1ccc(C#N)cc1 ZINC000423198196 388687976 /nfs/dbraw/zinc/68/79/76/388687976.db2.gz DPBHKGRQKOJTCB-CQSZACIVSA-N 1 1 231.343 2.208 20 30 BEEDMO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423271243 388689707 /nfs/dbraw/zinc/68/97/07/388689707.db2.gz ITHOJFKLMHYKQI-QWRGUYRKSA-N 1 1 249.333 2.203 20 30 BEEDMO C[C@H](N[C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C#N)c1 ZINC000423397768 388692601 /nfs/dbraw/zinc/69/26/01/388692601.db2.gz OMFJYBIWFMMITC-HUBLWGQQSA-N 1 1 243.354 2.207 20 30 BEEDMO CCC[N@H+](CC)CCN[C@H]1CCC[C@@H](C#N)C1 ZINC000248996911 388702931 /nfs/dbraw/zinc/70/29/31/388702931.db2.gz PEEOTMZFTIAIFQ-KGLIPLIRSA-N 1 1 237.391 2.390 20 30 BEEDMO C#CC[N@H+](Cc1cccnc1OC)C1CCCC1 ZINC000193387413 388703596 /nfs/dbraw/zinc/70/35/96/388703596.db2.gz KYCBXUXGUPMTMP-UHFFFAOYSA-N 1 1 244.338 2.468 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000249036262 388704973 /nfs/dbraw/zinc/70/49/73/388704973.db2.gz MRVKCTGEJUOQTH-NEPJUHHUSA-N 1 1 229.389 2.141 20 30 BEEDMO CC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539791 388707102 /nfs/dbraw/zinc/70/71/02/388707102.db2.gz UQSWFPQOGRQXDE-SMDDNHRTSA-N 1 1 232.327 2.322 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000127152957 388715590 /nfs/dbraw/zinc/71/55/90/388715590.db2.gz SFPVWYURNSDEAZ-XQQFMLRXSA-N 1 1 238.375 2.045 20 30 BEEDMO CC(C)[N@@H+](C)CCCNCc1ccc(C#N)cc1 ZINC000069675420 388724543 /nfs/dbraw/zinc/72/45/43/388724543.db2.gz GBNILUFAERWQBV-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000281128052 388792409 /nfs/dbraw/zinc/79/24/09/388792409.db2.gz CRJGGKIRTRLUKF-UHFFFAOYSA-N 1 1 224.329 2.336 20 30 BEEDMO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCC1=O ZINC000229509522 388792503 /nfs/dbraw/zinc/79/25/03/388792503.db2.gz MVDWRLCLTOUHJU-LLVKDONJSA-N 1 1 222.332 2.227 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCC1=O ZINC000229509522 388792505 /nfs/dbraw/zinc/79/25/05/388792505.db2.gz MVDWRLCLTOUHJU-LLVKDONJSA-N 1 1 222.332 2.227 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)cccc1F ZINC000229884715 388803821 /nfs/dbraw/zinc/80/38/21/388803821.db2.gz HEMABPHINANCCU-VIFPVBQESA-N 1 1 209.239 2.466 20 30 BEEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000282309731 388815002 /nfs/dbraw/zinc/81/50/02/388815002.db2.gz MWPFUPNVAZAVEN-WDEREUQCSA-N 1 1 234.299 2.151 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[C@H]1O ZINC000335150418 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/nfs/dbraw/zinc/21/89/76/135218976.db2.gz OQEDPIDLAKPMRM-CQSZACIVSA-N 1 1 243.354 2.036 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccco1 ZINC000121193254 135222024 /nfs/dbraw/zinc/22/20/24/135222024.db2.gz JGFLKMWDMPMIPP-NSHDSACASA-N 1 1 209.289 2.039 20 30 BEEDMO C#CC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121289035 135222877 /nfs/dbraw/zinc/22/28/77/135222877.db2.gz BPMUACBUMZBJRG-CYBMUJFWSA-N 1 1 217.287 2.323 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CC ZINC000340685618 135223344 /nfs/dbraw/zinc/22/33/44/135223344.db2.gz FAQYJVTVTWWIJE-ZDUSSCGKSA-N 1 1 236.359 2.061 20 30 BEEDMO C=CC[N@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000121192424 135223798 /nfs/dbraw/zinc/22/37/98/135223798.db2.gz QZQKFOLSPGLAFO-UHFFFAOYSA-N 1 1 248.326 2.142 20 30 BEEDMO C=CC[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000121552728 135223879 /nfs/dbraw/zinc/22/38/79/135223879.db2.gz KXWCMOYXQJNIGJ-UHFFFAOYSA-N 1 1 237.299 2.246 20 30 BEEDMO C=CC[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000121552728 135223880 /nfs/dbraw/zinc/22/38/80/135223880.db2.gz KXWCMOYXQJNIGJ-UHFFFAOYSA-N 1 1 237.299 2.246 20 30 BEEDMO C=CC[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000121570182 135224179 /nfs/dbraw/zinc/22/41/79/135224179.db2.gz ONZDGUYZYWCHLG-LBPRGKRZSA-N 1 1 225.719 2.491 20 30 BEEDMO C=CC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000121435483 135224567 /nfs/dbraw/zinc/22/45/67/135224567.db2.gz NRLGSTAUEQODDO-UHFFFAOYSA-N 1 1 236.271 2.091 20 30 BEEDMO C=CC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121616446 135224614 /nfs/dbraw/zinc/22/46/14/135224614.db2.gz UHWATJRFGHIBRT-UHFFFAOYSA-N 1 1 204.248 2.315 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000341385039 135237638 /nfs/dbraw/zinc/23/76/38/135237638.db2.gz RZZJTHHGBGZJQR-AVGNSLFASA-N 1 1 238.375 2.188 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000342052704 135247006 /nfs/dbraw/zinc/24/70/06/135247006.db2.gz UZYRIKRKZYEXMP-XQQFMLRXSA-N 1 1 238.375 2.140 20 30 BEEDMO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000342557127 135289139 /nfs/dbraw/zinc/28/91/39/135289139.db2.gz NBTQNKCKUULFRA-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000342718194 135313460 /nfs/dbraw/zinc/31/34/60/135313460.db2.gz ICBXVZZMLATLCU-NSHDSACASA-N 1 1 226.364 2.188 20 30 BEEDMO C=CCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000342732813 135316480 /nfs/dbraw/zinc/31/64/80/135316480.db2.gz DLZBHTDJLBZJTO-STQMWFEESA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000342764928 135326605 /nfs/dbraw/zinc/32/66/05/135326605.db2.gz LRWPTEWTCKVDJE-UHFFFAOYSA-N 1 1 243.310 2.005 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000334277834 135333563 /nfs/dbraw/zinc/33/35/63/135333563.db2.gz OTWNURKFEDAZHR-LLVKDONJSA-N 1 1 216.284 2.383 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)o1 ZINC000334277835 135333710 /nfs/dbraw/zinc/33/37/10/135333710.db2.gz OTWNURKFEDAZHR-NSHDSACASA-N 1 1 216.284 2.383 20 30 BEEDMO C[N@@H+](CCOCCC#N)Cc1cccs1 ZINC000293568398 135376944 /nfs/dbraw/zinc/37/69/44/135376944.db2.gz SOUGGKQGTNCELW-UHFFFAOYSA-N 1 1 224.329 2.110 20 30 BEEDMO C=CC[N@H+](C)Cc1cccc(Br)n1 ZINC000293141834 135377008 /nfs/dbraw/zinc/37/70/08/135377008.db2.gz LWHYKWRCRVCODT-UHFFFAOYSA-N 1 1 241.132 2.462 20 30 BEEDMO C[N@H+]1CCN(CCCC#N)C2(CCCCC2)C1 ZINC000081613166 135387560 /nfs/dbraw/zinc/38/75/60/135387560.db2.gz RXBDNIPHSIDFHH-UHFFFAOYSA-N 1 1 235.375 2.240 20 30 BEEDMO CN1CC[N@H+](CCCC#N)C2(CCCCC2)C1 ZINC000081613166 135387561 /nfs/dbraw/zinc/38/75/61/135387561.db2.gz RXBDNIPHSIDFHH-UHFFFAOYSA-N 1 1 235.375 2.240 20 30 BEEDMO CN1CC[N@@H+](CCCC#N)C2(CCCCC2)C1 ZINC000081613166 135387562 /nfs/dbraw/zinc/38/75/62/135387562.db2.gz RXBDNIPHSIDFHH-UHFFFAOYSA-N 1 1 235.375 2.240 20 30 BEEDMO CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969712 135391551 /nfs/dbraw/zinc/39/15/51/135391551.db2.gz NHADVVLTAVYANE-UHFFFAOYSA-N 1 1 229.327 2.090 20 30 BEEDMO Cc1ccc(C[NH+]2CCC(C#N)CC2)o1 ZINC000079839985 135397638 /nfs/dbraw/zinc/39/76/38/135397638.db2.gz JJBBXJUZWUSUJH-UHFFFAOYSA-N 1 1 204.273 2.324 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1 ZINC000293940680 135671612 /nfs/dbraw/zinc/67/16/12/135671612.db2.gz IALXZVDBDBMFRC-HNNXBMFYSA-N 1 1 229.323 2.015 20 30 BEEDMO CCCOc1ccc(C[NH2+]CCC#N)cc1OC ZINC000345308280 135895612 /nfs/dbraw/zinc/89/56/12/135895612.db2.gz VRTNEOYLGNWSDV-UHFFFAOYSA-N 1 1 248.326 2.487 20 30 BEEDMO C#CCC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000367007348 136010361 /nfs/dbraw/zinc/01/03/61/136010361.db2.gz PQSZAURMHOMGAZ-HNNXBMFYSA-N 1 1 229.323 2.257 20 30 BEEDMO C#CCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000367007348 136010362 /nfs/dbraw/zinc/01/03/62/136010362.db2.gz PQSZAURMHOMGAZ-HNNXBMFYSA-N 1 1 229.323 2.257 20 30 BEEDMO CCc1cc(CCC[N@H+](C)[C@@H](C)CC#N)on1 ZINC000347744755 136010911 /nfs/dbraw/zinc/01/09/11/136010911.db2.gz HVOUFLNBSZTWOS-NSHDSACASA-N 1 1 235.331 2.404 20 30 BEEDMO CCc1cc(CCC[N@@H+](C)[C@@H](C)CC#N)on1 ZINC000347744755 136010912 /nfs/dbraw/zinc/01/09/12/136010912.db2.gz HVOUFLNBSZTWOS-NSHDSACASA-N 1 1 235.331 2.404 20 30 BEEDMO C=CCOCCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000347971862 136022692 /nfs/dbraw/zinc/02/26/92/136022692.db2.gz ZNCSBJLIFDQLMC-KBPBESRZSA-N 1 1 239.359 2.223 20 30 BEEDMO C=CCOCCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000348047857 136030175 /nfs/dbraw/zinc/03/01/75/136030175.db2.gz LQWHLYDPOHUJJG-UONOGXRCSA-N 1 1 239.359 2.080 20 30 BEEDMO C=CCOCCC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000348051813 136031324 /nfs/dbraw/zinc/03/13/24/136031324.db2.gz RDNPBIHJYFGMEW-AWEZNQCLSA-N 1 1 249.358 2.113 20 30 BEEDMO C=CCOCCC[N@H+]1CCS[C@@H](CC)C1 ZINC000348056896 136032024 /nfs/dbraw/zinc/03/20/24/136032024.db2.gz OOUUYZXAXHLAFT-LBPRGKRZSA-N 1 1 229.389 2.407 20 30 BEEDMO C=CCOCCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000348054932 136032060 /nfs/dbraw/zinc/03/20/60/136032060.db2.gz ZFRVRSXOQCLXHP-CQSZACIVSA-N 1 1 241.375 2.326 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000348193119 136050098 /nfs/dbraw/zinc/05/00/98/136050098.db2.gz KQRLPWIIVYCGSK-MELADBBJSA-N 1 1 241.375 2.060 20 30 BEEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000348195365 136051138 /nfs/dbraw/zinc/05/11/38/136051138.db2.gz WCNTWMXDNHKIGU-KBPBESRZSA-N 1 1 241.375 2.205 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCCOC1 ZINC000335389568 136089930 /nfs/dbraw/zinc/08/99/30/136089930.db2.gz SEFGHLPLEUVTRR-CHWSQXEVSA-N 1 1 209.333 2.454 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1F ZINC000335584668 136101307 /nfs/dbraw/zinc/10/13/07/136101307.db2.gz XQVXVXNYLITJRJ-RYUDHWBXSA-N 1 1 248.326 2.387 20 30 BEEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1F ZINC000335584668 136101308 /nfs/dbraw/zinc/10/13/08/136101308.db2.gz XQVXVXNYLITJRJ-RYUDHWBXSA-N 1 1 248.326 2.387 20 30 BEEDMO N#CCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000335573009 136110366 /nfs/dbraw/zinc/11/03/66/136110366.db2.gz WWACQHVNQSRIRR-NSHDSACASA-N 1 1 210.346 2.119 20 30 BEEDMO N#CCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000335573009 136110367 /nfs/dbraw/zinc/11/03/67/136110367.db2.gz WWACQHVNQSRIRR-NSHDSACASA-N 1 1 210.346 2.119 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]12CCOC2 ZINC001172499331 974851822 /nfs/dbraw/zinc/85/18/22/974851822.db2.gz WGYQVLIOHBFHJR-CHWSQXEVSA-N 1 1 222.332 2.324 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@H](OCCOCC)C1 ZINC000441664877 397933288 /nfs/dbraw/zinc/93/32/88/397933288.db2.gz GUOQDHPWDKHRFI-ZDUSSCGKSA-N 1 1 227.348 2.080 20 30 BEEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000650182345 397960082 /nfs/dbraw/zinc/96/00/82/397960082.db2.gz AHSGYHJXYRGUDD-UHFFFAOYSA-N 1 1 240.391 2.293 20 30 BEEDMO CCO[C@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000591015036 397920075 /nfs/dbraw/zinc/92/00/75/397920075.db2.gz UOMDMUJXENJECR-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCCc2ccccc2CC1 ZINC000650101970 397923560 /nfs/dbraw/zinc/92/35/60/397923560.db2.gz CVQPCXJVZBSURH-INIZCTEOSA-N 1 1 245.366 2.414 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000650216896 397989912 /nfs/dbraw/zinc/98/99/12/397989912.db2.gz CQGJTCCEATWGET-KGLIPLIRSA-N 1 1 221.344 2.291 20 30 BEEDMO COc1cncc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623300 397993291 /nfs/dbraw/zinc/99/32/91/397993291.db2.gz MEFBRPRXIYPLBG-GFCCVEGCSA-N 1 1 245.326 2.216 20 30 BEEDMO COc1cncc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623300 397993293 /nfs/dbraw/zinc/99/32/93/397993293.db2.gz MEFBRPRXIYPLBG-GFCCVEGCSA-N 1 1 245.326 2.216 20 30 BEEDMO C[C@H](O)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000175775072 398045333 /nfs/dbraw/zinc/04/53/33/398045333.db2.gz FUDJEILKTBESIA-NSHDSACASA-N 1 1 237.730 2.004 20 30 BEEDMO CCC#C[C@@H](C)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000649664775 398029623 /nfs/dbraw/zinc/02/96/23/398029623.db2.gz FDEYYWLRZAJBSS-UONOGXRCSA-N 1 1 234.387 2.204 20 30 BEEDMO CCC#C[C@@H](C)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000649664775 398029627 /nfs/dbraw/zinc/02/96/27/398029627.db2.gz FDEYYWLRZAJBSS-UONOGXRCSA-N 1 1 234.387 2.204 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000649664775 398029631 /nfs/dbraw/zinc/02/96/31/398029631.db2.gz FDEYYWLRZAJBSS-UONOGXRCSA-N 1 1 234.387 2.204 20 30 BEEDMO CCC(C)(C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598594693 398031871 /nfs/dbraw/zinc/03/18/71/398031871.db2.gz COFYAGMZCFRMAW-NSHDSACASA-N 1 1 226.364 2.408 20 30 BEEDMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594433 398032113 /nfs/dbraw/zinc/03/21/13/398032113.db2.gz HMGQJKHRMUZLON-FRRDWIJNSA-N 1 1 238.375 2.408 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000491623964 398049684 /nfs/dbraw/zinc/04/96/84/398049684.db2.gz KLBTTWKSBRIYMA-DZGCQCFKSA-N 1 1 231.339 2.198 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000172732777 398042637 /nfs/dbraw/zinc/04/26/37/398042637.db2.gz RPVQIYCJTZFOHU-SECBINFHSA-N 1 1 205.223 2.284 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000650204830 397984585 /nfs/dbraw/zinc/98/45/85/397984585.db2.gz RHOGUGGRPDIQTB-HBNTYKKESA-N 1 1 249.276 2.033 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc(O)c2)CCC1 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C#Cc1cccnc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000853183418 588723877 /nfs/dbraw/zinc/72/38/77/588723877.db2.gz IBQCLWGTTKXDFK-UONOGXRCSA-N 1 1 241.338 2.102 20 30 BEEDMO C[C@H]1CCCCN1N=C1CC[N@H+]2CCC[C@@H]12 ZINC000853380373 588739372 /nfs/dbraw/zinc/73/93/72/588739372.db2.gz TUCDAXCAMWHWAV-AAEUAGOBSA-N 1 1 221.348 2.085 20 30 BEEDMO C[C@@H]1CCCCN1N=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000853381159 588739573 /nfs/dbraw/zinc/73/95/73/588739573.db2.gz XQCCIQZSURZOLF-NEPJUHHUSA-N 1 1 223.364 2.331 20 30 BEEDMO C=CC[N@@H+](CN1CC[C@H](C(C)C)C1=O)C(C)C ZINC000853491572 588746099 /nfs/dbraw/zinc/74/60/99/588746099.db2.gz VILLVHGZFPCDNK-CYBMUJFWSA-N 1 1 238.375 2.345 20 30 BEEDMO C=CC[N@H+](CN1CC[C@H](C(C)C)C1=O)C(C)C ZINC000853491572 588746100 /nfs/dbraw/zinc/74/61/00/588746100.db2.gz VILLVHGZFPCDNK-CYBMUJFWSA-N 1 1 238.375 2.345 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C1 ZINC000853536549 588747962 /nfs/dbraw/zinc/74/79/62/588747962.db2.gz DNRGXGICZCGNPA-MCIONIFRSA-N 1 1 248.370 2.243 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](CN2CC[C@@H](C)C2=O)C1 ZINC000853537132 588748107 /nfs/dbraw/zinc/74/81/07/588748107.db2.gz PRFDOURNSARBRN-CHWSQXEVSA-N 1 1 236.359 2.100 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC(C)(C)CC1=O ZINC000853598564 588750073 /nfs/dbraw/zinc/75/00/73/588750073.db2.gz SMUGONZAQSGAMJ-BETUJISGSA-N 1 1 248.370 2.385 20 30 BEEDMO C#CCOCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854040638 588772332 /nfs/dbraw/zinc/77/23/32/588772332.db2.gz SSZQMBWLINNMEW-AWEZNQCLSA-N 1 1 244.338 2.114 20 30 BEEDMO C#CCOCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854040638 588772333 /nfs/dbraw/zinc/77/23/33/588772333.db2.gz SSZQMBWLINNMEW-AWEZNQCLSA-N 1 1 244.338 2.114 20 30 BEEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855287274 588827038 /nfs/dbraw/zinc/82/70/38/588827038.db2.gz BGKKCMDYJOCZMA-LBPRGKRZSA-N 1 1 238.375 2.332 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC000890550040 582472298 /nfs/dbraw/zinc/47/22/98/582472298.db2.gz SMNXGSQHAHRFOQ-GFCCVEGCSA-N 1 1 247.342 2.184 20 30 BEEDMO C[C@H]1CC(=NOC/C=C/Cl)CC[N@H+]1C ZINC000811669746 582487811 /nfs/dbraw/zinc/48/78/11/582487811.db2.gz UAUAKBYUAKPQQU-GGSPIIKMSA-N 1 1 216.712 2.226 20 30 BEEDMO C=CCCCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000890809173 582571131 /nfs/dbraw/zinc/57/11/31/582571131.db2.gz NGVYYNZEPPBRQK-CYBMUJFWSA-N 1 1 238.375 2.143 20 30 BEEDMO C=CCCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000811010478 582652344 /nfs/dbraw/zinc/65/23/44/582652344.db2.gz UDACMUHFBBYGDO-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CCCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000811010478 582652346 /nfs/dbraw/zinc/65/23/46/582652346.db2.gz UDACMUHFBBYGDO-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc2c1OCC2 ZINC000891805466 582724754 /nfs/dbraw/zinc/72/47/54/582724754.db2.gz LGPXLWUNARYVCX-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cnn(CC2CCC2)c1 ZINC000891805282 582724761 /nfs/dbraw/zinc/72/47/61/582724761.db2.gz IDUSVMGPXHNUCK-UHFFFAOYSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[N@H+](CC)Cc1cnn(CC2CCC2)c1 ZINC000891805282 582724762 /nfs/dbraw/zinc/72/47/62/582724762.db2.gz IDUSVMGPXHNUCK-UHFFFAOYSA-N 1 1 231.343 2.138 20 30 BEEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000300097705 582827918 /nfs/dbraw/zinc/82/79/18/582827918.db2.gz PCNGIEQSBFPHTK-CQSZACIVSA-N 1 1 230.311 2.087 20 30 BEEDMO CCc1cc(C[NH2+]CC#Cc2ccccc2)on1 ZINC000892396216 582875468 /nfs/dbraw/zinc/87/54/68/582875468.db2.gz AQYFXXIBBAPIFU-UHFFFAOYSA-N 1 1 240.306 2.378 20 30 BEEDMO Cc1cc(C#N)nc(NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000892421222 582883074 /nfs/dbraw/zinc/88/30/74/582883074.db2.gz GUJROIXDSCBFDP-GFCCVEGCSA-N 1 1 244.342 2.015 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(C)s1 ZINC000851749898 582966021 /nfs/dbraw/zinc/96/60/21/582966021.db2.gz QGUJYUJLEYPFER-UHFFFAOYSA-N 1 1 223.341 2.138 20 30 BEEDMO C#CCCCC(=O)NC(C)(C)C[N@H+](C)CCC ZINC000856282363 588867161 /nfs/dbraw/zinc/86/71/61/588867161.db2.gz VFPJSIBXLZZWLJ-UHFFFAOYSA-N 1 1 238.375 2.027 20 30 BEEDMO C=C[C@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000893112842 583050978 /nfs/dbraw/zinc/05/09/78/583050978.db2.gz IFWVMEAKEQHYOK-QMMMGPOBSA-N 1 1 211.334 2.326 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cncc(Cl)c1 ZINC000856738489 588875534 /nfs/dbraw/zinc/87/55/34/588875534.db2.gz NBCGJNTVLWJBMH-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cncc(Cl)c1 ZINC000856738489 588875535 /nfs/dbraw/zinc/87/55/35/588875535.db2.gz NBCGJNTVLWJBMH-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#CCC[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000856812138 588878785 /nfs/dbraw/zinc/87/87/85/588878785.db2.gz JISSNNNMLRLQRQ-UHFFFAOYSA-N 1 1 232.327 2.162 20 30 BEEDMO C[C@@H](C#N)C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893545987 583161382 /nfs/dbraw/zinc/16/13/82/583161382.db2.gz ZWSQARBWLUWNDQ-QWRGUYRKSA-N 1 1 230.311 2.259 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893604805 583171643 /nfs/dbraw/zinc/17/16/43/583171643.db2.gz ABPSAQASXBWSLF-LBPRGKRZSA-N 1 1 232.331 2.079 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893604804 583171711 /nfs/dbraw/zinc/17/17/11/583171711.db2.gz ABPSAQASXBWSLF-GFCCVEGCSA-N 1 1 232.331 2.079 20 30 BEEDMO C=C(Cl)CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222095047 583187031 /nfs/dbraw/zinc/18/70/31/583187031.db2.gz UHBYNHQEJBBFJR-ONGXEEELSA-N 1 1 216.756 2.059 20 30 BEEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1csc(C#N)c1 ZINC000893668726 583192180 /nfs/dbraw/zinc/19/21/80/583192180.db2.gz HIEFZTRFUPQHKD-WDEREUQCSA-N 1 1 249.383 2.144 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1[nH]nc(C)c1C ZINC000893878053 583239755 /nfs/dbraw/zinc/23/97/55/583239755.db2.gz PXHINFUEAKFDTD-UHFFFAOYSA-N 1 1 207.321 2.425 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccc(SC)o1 ZINC000893976684 583266821 /nfs/dbraw/zinc/26/68/21/583266821.db2.gz XIEAUIMKPPQLNR-UHFFFAOYSA-N 1 1 209.314 2.457 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(SC)o1 ZINC000893976684 583266824 /nfs/dbraw/zinc/26/68/24/583266824.db2.gz XIEAUIMKPPQLNR-UHFFFAOYSA-N 1 1 209.314 2.457 20 30 BEEDMO C=CC[N@@H+](Cc1c(C)ccnc1N)C(C)C ZINC000893952390 583261608 /nfs/dbraw/zinc/26/16/08/583261608.db2.gz HCVFPBMGTQFZTM-UHFFFAOYSA-N 1 1 219.332 2.369 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CC1CCC(OC)CC1 ZINC000894058862 583291389 /nfs/dbraw/zinc/29/13/89/583291389.db2.gz AHKONLGFRWPVLL-HIFPTAJRSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CCCCCCC[N@H+]1CCc2nccnc2C1 ZINC000877637409 583339338 /nfs/dbraw/zinc/33/93/38/583339338.db2.gz UNMDUBWAVDMNFP-UHFFFAOYSA-N 1 1 243.354 2.418 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000877617178 583339798 /nfs/dbraw/zinc/33/97/98/583339798.db2.gz MMAIBSTXKWRZNQ-GFCCVEGCSA-N 1 1 223.385 2.475 20 30 BEEDMO Cc1nn(C(C)C)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000894205607 583343482 /nfs/dbraw/zinc/34/34/82/583343482.db2.gz YDYNTFTUTRUXBO-UHFFFAOYSA-N 1 1 246.358 2.474 20 30 BEEDMO C=CC[N@H+](CCOC)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878503829 583377622 /nfs/dbraw/zinc/37/76/22/583377622.db2.gz YSEKOAOUUVJYAR-HZSPNIEDSA-N 1 1 239.359 2.078 20 30 BEEDMO Cc1noc(C)c1C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000788012615 583389136 /nfs/dbraw/zinc/38/91/36/583389136.db2.gz WDGWDINPIVMHSH-VXGBXAGGSA-N 1 1 233.315 2.416 20 30 BEEDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000878686548 583394108 /nfs/dbraw/zinc/39/41/08/583394108.db2.gz YNTAVEWOTKYVGI-JTQLQIEISA-N 1 1 244.298 2.218 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1cc(C)cnc1Cl ZINC000894383616 583442658 /nfs/dbraw/zinc/44/26/58/583442658.db2.gz MNRXHFGNKAPVIO-VIFPVBQESA-N 1 1 208.692 2.155 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894387562 583444176 /nfs/dbraw/zinc/44/41/76/583444176.db2.gz PTQRNBVURIMTHV-VIFPVBQESA-N 1 1 237.734 2.442 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894468804 583468558 /nfs/dbraw/zinc/46/85/58/583468558.db2.gz DIJGEBWADXBAHY-NSHDSACASA-N 1 1 244.298 2.313 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894574293 583486762 /nfs/dbraw/zinc/48/67/62/583486762.db2.gz QOUVSUGFYKGXJY-MRVPVSSYSA-N 1 1 225.238 2.124 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894574293 583486764 /nfs/dbraw/zinc/48/67/64/583486764.db2.gz QOUVSUGFYKGXJY-MRVPVSSYSA-N 1 1 225.238 2.124 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(SC)o1 ZINC000894574167 583486880 /nfs/dbraw/zinc/48/68/80/583486880.db2.gz OXMLEBAGPCTMJD-SECBINFHSA-N 1 1 209.314 2.455 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(SC)o1 ZINC000894574167 583486882 /nfs/dbraw/zinc/48/68/82/583486882.db2.gz OXMLEBAGPCTMJD-SECBINFHSA-N 1 1 209.314 2.455 20 30 BEEDMO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000894629157 583497598 /nfs/dbraw/zinc/49/75/98/583497598.db2.gz UNVYQBZOMGMPRL-BDAKNGLRSA-N 1 1 206.314 2.460 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000894629157 583497600 /nfs/dbraw/zinc/49/76/00/583497600.db2.gz UNVYQBZOMGMPRL-BDAKNGLRSA-N 1 1 206.314 2.460 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)Cc1csc(C#N)c1 ZINC000894765258 583518591 /nfs/dbraw/zinc/51/85/91/583518591.db2.gz ZELSASLJPWIPAE-SNVBAGLBSA-N 1 1 238.356 2.213 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC000894861227 583534590 /nfs/dbraw/zinc/53/45/90/583534590.db2.gz CDDQURHKTPMBES-NEPJUHHUSA-N 1 1 243.354 2.464 20 30 BEEDMO C#CCCC[N@H+](CC)[C@H](CO)c1ccccc1 ZINC000880461558 583541787 /nfs/dbraw/zinc/54/17/87/583541787.db2.gz INQSSNJCUKTREZ-OAHLLOKOSA-N 1 1 231.339 2.455 20 30 BEEDMO Cc1cc(F)ncc1C[NH2+]CC1(C#N)CCC1 ZINC000894965216 583560091 /nfs/dbraw/zinc/56/00/91/583560091.db2.gz CXUJPJFPOKILJH-UHFFFAOYSA-N 1 1 233.290 2.313 20 30 BEEDMO N#CC1(C[NH2+]Cc2cn3ccnc3s2)CCC1 ZINC000894965475 583560120 /nfs/dbraw/zinc/56/01/20/583560120.db2.gz GPAQOCRWSXNFSH-UHFFFAOYSA-N 1 1 246.339 2.179 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000895151183 583606435 /nfs/dbraw/zinc/60/64/35/583606435.db2.gz QTTGNLZDQMYVIE-INIZCTEOSA-N 1 1 243.350 2.405 20 30 BEEDMO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857869081 588916116 /nfs/dbraw/zinc/91/61/16/588916116.db2.gz JKRBQXQJMVAANH-LLVKDONJSA-N 1 1 232.331 2.317 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895203419 583624215 /nfs/dbraw/zinc/62/42/15/583624215.db2.gz OXKSNTCDIFCASY-LLVKDONJSA-N 1 1 245.351 2.241 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895203410 583624472 /nfs/dbraw/zinc/62/44/72/583624472.db2.gz OQIVJHCSOGBEGV-CYBMUJFWSA-N 1 1 243.354 2.453 20 30 BEEDMO C[C@@H](CCC#N)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000895669798 583706374 /nfs/dbraw/zinc/70/63/74/583706374.db2.gz CDOCBVCXGDGNJZ-AWEZNQCLSA-N 1 1 249.402 2.486 20 30 BEEDMO C=C1CCC(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000896005434 583762096 /nfs/dbraw/zinc/76/20/96/583762096.db2.gz DWXGSTPHCKFZIS-UHFFFAOYSA-N 1 1 247.342 2.054 20 30 BEEDMO Cc1nc([C@H]2CC[N@H+](C[C@H](C)CCC#N)C2)no1 ZINC000896233532 583784387 /nfs/dbraw/zinc/78/43/87/583784387.db2.gz UMTWMAAIKIFSTP-PWSUYJOCSA-N 1 1 248.330 2.107 20 30 BEEDMO C=C(C)CCc1noc(Cn2cc[nH+]c2C)n1 ZINC000896280065 583788653 /nfs/dbraw/zinc/78/86/53/583788653.db2.gz FQTDTFFLLSPOIY-UHFFFAOYSA-N 1 1 232.287 2.132 20 30 BEEDMO C=CCC(C)(C)c1noc(Cn2cc[nH+]c2C)n1 ZINC000896328385 583794640 /nfs/dbraw/zinc/79/46/40/583794640.db2.gz MXXKZQPLEVANAC-UHFFFAOYSA-N 1 1 246.314 2.477 20 30 BEEDMO N#C[C@@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000896500754 583807037 /nfs/dbraw/zinc/80/70/37/583807037.db2.gz JYMWMEBUOOBWIY-LBPRGKRZSA-N 1 1 224.373 2.365 20 30 BEEDMO C=C1CC(C)(c2noc(Cn3cc[nH+]c3C)n2)C1 ZINC000896927741 583859591 /nfs/dbraw/zinc/85/95/91/583859591.db2.gz OHJKVYDVLPXZBY-UHFFFAOYSA-N 1 1 244.298 2.231 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000897165731 583886671 /nfs/dbraw/zinc/88/66/71/583886671.db2.gz AZRFVKXZASHOHD-ZDUSSCGKSA-N 1 1 242.322 2.433 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000897167870 583887342 /nfs/dbraw/zinc/88/73/42/583887342.db2.gz VDRIBBHSLHQITJ-UHFFFAOYSA-N 1 1 245.351 2.389 20 30 BEEDMO C#CC[N@@H+](Cc1cn2ccnc2s1)C(C)C ZINC000897170903 583888832 /nfs/dbraw/zinc/88/88/32/583888832.db2.gz KQEBXYIBNJWEPX-UHFFFAOYSA-N 1 1 233.340 2.239 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2c(n1)CCC2)C(C)C ZINC000897171457 583888894 /nfs/dbraw/zinc/88/88/94/583888894.db2.gz ZVEASFKCUTYLGL-UHFFFAOYSA-N 1 1 228.339 2.414 20 30 BEEDMO C#CC[N@H+](Cc1ccnn1CC1CC1)C(C)C ZINC000897170934 583889049 /nfs/dbraw/zinc/88/90/49/583889049.db2.gz LTVOEVTZRNWYKY-UHFFFAOYSA-N 1 1 231.343 2.137 20 30 BEEDMO C#CC[N@@H+](Cc1ccnn1CC1CC1)C(C)C ZINC000897170934 583889052 /nfs/dbraw/zinc/88/90/52/583889052.db2.gz LTVOEVTZRNWYKY-UHFFFAOYSA-N 1 1 231.343 2.137 20 30 BEEDMO CC1(C)CC[N@@H+](CCNc2ccc(C#N)cn2)C1 ZINC000897248693 583902317 /nfs/dbraw/zinc/90/23/17/583902317.db2.gz XKNCDVLPUSZSSY-UHFFFAOYSA-N 1 1 244.342 2.097 20 30 BEEDMO CC1(C)CC[N@@H+](CCNc2ncccc2C#N)C1 ZINC000897249053 583902551 /nfs/dbraw/zinc/90/25/51/583902551.db2.gz KMHXWCCPLKQTLI-UHFFFAOYSA-N 1 1 244.342 2.097 20 30 BEEDMO CC1(C)CC[N@@H+](CCNc2cc(C#N)ccn2)C1 ZINC000897249678 583903249 /nfs/dbraw/zinc/90/32/49/583903249.db2.gz ZQVDTHHMZRDLRF-UHFFFAOYSA-N 1 1 244.342 2.097 20 30 BEEDMO C=CCCC[N@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000898245248 584100677 /nfs/dbraw/zinc/10/06/77/584100677.db2.gz YXDTUSNPEYKVJR-LBPRGKRZSA-N 1 1 227.348 2.426 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000899921449 584256692 /nfs/dbraw/zinc/25/66/92/584256692.db2.gz XBPZEYDURSLDPV-UONOGXRCSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCCO2)no1 ZINC000900012647 584263525 /nfs/dbraw/zinc/26/35/25/584263525.db2.gz VWCKXNOFUGMDTN-UWVGGRQHSA-N 1 1 237.303 2.277 20 30 BEEDMO C=CCCC[C@@H]([NH3+])c1nc(C2CC2)no1 ZINC000899999025 584263551 /nfs/dbraw/zinc/26/35/51/584263551.db2.gz ZWMBJQLZQILVEA-SECBINFHSA-N 1 1 207.277 2.303 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc(F)c(F)c2)C[N@H+]1C ZINC000901317186 584429449 /nfs/dbraw/zinc/42/94/49/584429449.db2.gz GQQLXKMWRCFLDU-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO C[C@H]1C(N=Nc2cc(F)ccc2F)CC[N@H+]1C ZINC000901321742 584429870 /nfs/dbraw/zinc/42/98/70/584429870.db2.gz ZMHHCZFHGFTUED-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO 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/nfs/dbraw/zinc/40/94/48/585409448.db2.gz LNFCTNXQVBZOPI-UHFFFAOYSA-N 1 1 248.301 2.308 20 30 BEEDMO C#CCOCC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000761107372 585409877 /nfs/dbraw/zinc/40/98/77/585409877.db2.gz DVWWJMPEPNNYJE-CQSZACIVSA-N 1 1 231.339 2.372 20 30 BEEDMO Cc1ccc(N=NC2C[C@@H](C)[N@H+](C)C2)cc1 ZINC000761795360 585418757 /nfs/dbraw/zinc/41/87/57/585418757.db2.gz ZICJSHXNZALNBF-LLVKDONJSA-N 1 1 217.316 2.487 20 30 BEEDMO C[C@H]1CC(N=Nc2cccc(C#N)c2)C[N@H+]1C ZINC000761803379 585419038 /nfs/dbraw/zinc/41/90/38/585419038.db2.gz AKXVKELWMUKPCD-JTQLQIEISA-N 1 1 228.299 2.050 20 30 BEEDMO C[C@H]1CC(N=Nc2cc(F)cc(F)c2)C[N@H+]1C ZINC000761810818 585419254 /nfs/dbraw/zinc/41/92/54/585419254.db2.gz DCPOPXGDXIVLGQ-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO C[C@H](NN=C1C[C@@H](C)[N@H+](C)C1)c1ccccc1 ZINC000761813131 585419318 /nfs/dbraw/zinc/41/93/18/585419318.db2.gz TXQZLDFVBAJPHX-NEPJUHHUSA-N 1 1 231.343 2.417 20 30 BEEDMO C[C@H](NN=C1C[C@@H](C)[N@@H+](C)C1)c1ccccc1 ZINC000761813131 585419319 /nfs/dbraw/zinc/41/93/19/585419319.db2.gz TXQZLDFVBAJPHX-NEPJUHHUSA-N 1 1 231.343 2.417 20 30 BEEDMO C#CCC[N@@H+](C)CCOc1ccc(C)cc1 ZINC000764230344 585462053 /nfs/dbraw/zinc/46/20/53/585462053.db2.gz HYWVVFNRDJOLSH-UHFFFAOYSA-N 1 1 217.312 2.329 20 30 BEEDMO C[C@H]1CC(=NOCC(F)(F)F)C[N@H+]1C1CC1 ZINC000764847237 585475979 /nfs/dbraw/zinc/47/59/79/585475979.db2.gz VSXACNQGBFHFSS-ZETCQYMHSA-N 1 1 236.237 2.178 20 30 BEEDMO Fc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765570512 585489818 /nfs/dbraw/zinc/48/98/18/585489818.db2.gz CFSZFJJBMIGRMT-CYBMUJFWSA-N 1 1 233.290 2.462 20 30 BEEDMO c1ccc(CON=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765572893 585490106 /nfs/dbraw/zinc/49/01/06/585490106.db2.gz PJKYXHUGFOZLCA-CQSZACIVSA-N 1 1 230.311 2.427 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000766895498 585509315 /nfs/dbraw/zinc/50/93/15/585509315.db2.gz KQHRTPYSFRYPDE-HNNXBMFYSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000766895498 585509316 /nfs/dbraw/zinc/50/93/16/585509316.db2.gz KQHRTPYSFRYPDE-HNNXBMFYSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCCC[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000766901515 585510427 /nfs/dbraw/zinc/51/04/27/585510427.db2.gz ZIDLEPGPDKOADC-UHFFFAOYSA-N 1 1 243.306 2.202 20 30 BEEDMO C#CCCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000766901515 585510428 /nfs/dbraw/zinc/51/04/28/585510428.db2.gz ZIDLEPGPDKOADC-UHFFFAOYSA-N 1 1 243.306 2.202 20 30 BEEDMO C#CCCC[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000766941767 585512081 /nfs/dbraw/zinc/51/20/81/585512081.db2.gz QUUCVWSGPAISPI-LBPRGKRZSA-N 1 1 244.329 2.061 20 30 BEEDMO C#CCCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000766941764 585512273 /nfs/dbraw/zinc/51/22/73/585512273.db2.gz QUUCVWSGPAISPI-GFCCVEGCSA-N 1 1 244.329 2.061 20 30 BEEDMO Cc1ccc(O)c(C[N@@H+](CCC#N)CC(C)C)n1 ZINC000768154149 585533104 /nfs/dbraw/zinc/53/31/04/585533104.db2.gz RZAOBOCWCZPOIZ-UHFFFAOYSA-N 1 1 247.342 2.467 20 30 BEEDMO Cc1ccc(O)c(C[N@H+](CCC#N)CC(C)C)n1 ZINC000768154149 585533105 /nfs/dbraw/zinc/53/31/05/585533105.db2.gz RZAOBOCWCZPOIZ-UHFFFAOYSA-N 1 1 247.342 2.467 20 30 BEEDMO C=CC[N@@H+](Cc1cn(C)nc1C)C(C)C ZINC000768548150 585540264 /nfs/dbraw/zinc/54/02/64/585540264.db2.gz XAQGMTKDZAPIOH-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO N#CC1CCN(Cc2[nH]nc3ccccc32)CC1 ZINC000769192098 585551009 /nfs/dbraw/zinc/55/10/09/585551009.db2.gz CUDUREDSPLIZQM-UHFFFAOYSA-N 1 1 240.310 2.298 20 30 BEEDMO N#CC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000769192098 585551010 /nfs/dbraw/zinc/55/10/10/585551010.db2.gz CUDUREDSPLIZQM-UHFFFAOYSA-N 1 1 240.310 2.298 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccc(C)cc1C ZINC000769441054 585556282 /nfs/dbraw/zinc/55/62/82/585556282.db2.gz FSSNQLMBZUNMLE-UHFFFAOYSA-N 1 1 211.308 2.372 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccc(OC)c(C)c1 ZINC000769443299 585556506 /nfs/dbraw/zinc/55/65/06/585556506.db2.gz UXKRIXWPJHGWAK-UHFFFAOYSA-N 1 1 227.307 2.072 20 30 BEEDMO Cc1cccc(F)c1N=NC1C[N@H+](C)C[C@H]1C ZINC000769840143 585565083 /nfs/dbraw/zinc/56/50/83/585565083.db2.gz IDFSWINOUIETHL-SNVBAGLBSA-N 1 1 235.306 2.484 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCOCc1ccc(OC)cc1 ZINC000769961609 585567570 /nfs/dbraw/zinc/56/75/70/585567570.db2.gz RXENQNJKDCLDQV-CYBMUJFWSA-N 1 1 247.338 2.165 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cn2cccc(C)c2n1 ZINC000769978099 585568242 /nfs/dbraw/zinc/56/82/42/585568242.db2.gz PZTQPJJRNRBPBV-LBPRGKRZSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cn2cccc(C)c2n1 ZINC000769978099 585568243 /nfs/dbraw/zinc/56/82/43/585568243.db2.gz PZTQPJJRNRBPBV-LBPRGKRZSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@@H](O)CCCCCC ZINC000769978269 585568358 /nfs/dbraw/zinc/56/83/58/585568358.db2.gz VAAWRKBYMOWRGY-STQMWFEESA-N 1 1 211.349 2.271 20 30 BEEDMO C[C@@H](CC#N)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000771885962 585603502 /nfs/dbraw/zinc/60/35/02/585603502.db2.gz RAKHOKXKQHREEG-JTQLQIEISA-N 1 1 248.305 2.117 20 30 BEEDMO C#CC[N@@H+](Cc1cccc(C)n1)C(C)C ZINC000772797923 585624466 /nfs/dbraw/zinc/62/44/66/585624466.db2.gz KEXPJKXODRWUMK-UHFFFAOYSA-N 1 1 202.301 2.234 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@]1(CCC)COC ZINC000773963179 585647459 /nfs/dbraw/zinc/64/74/59/585647459.db2.gz JXIZQTFMBRAMSU-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000775183058 585673174 /nfs/dbraw/zinc/67/31/74/585673174.db2.gz HIOJLUYCCALYTA-GFCCVEGCSA-N 1 1 216.328 2.206 20 30 BEEDMO C#CCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000775416693 585677647 /nfs/dbraw/zinc/67/76/47/585677647.db2.gz XMRBDGIABMWWTM-UHFFFAOYSA-N 1 1 234.387 2.254 20 30 BEEDMO C=C(C)CC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000775622029 585681630 /nfs/dbraw/zinc/68/16/30/585681630.db2.gz ZVJOUQIYKBYAEE-UHFFFAOYSA-N 1 1 247.404 2.098 20 30 BEEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000776799680 585705714 /nfs/dbraw/zinc/70/57/14/585705714.db2.gz NNWJJLOWYUSKCV-UHFFFAOYSA-N 1 1 224.307 2.464 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000778174203 585726506 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C=C(C)C[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811762686 586566629 /nfs/dbraw/zinc/56/66/29/586566629.db2.gz UCKSLHUHNKIIGL-GFCCVEGCSA-N 1 1 236.359 2.099 20 30 BEEDMO C=C(C)C[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811762686 586566630 /nfs/dbraw/zinc/56/66/30/586566630.db2.gz UCKSLHUHNKIIGL-GFCCVEGCSA-N 1 1 236.359 2.099 20 30 BEEDMO CC#CC[N@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850116 586588039 /nfs/dbraw/zinc/58/80/39/586588039.db2.gz LLOULODFLOTVJG-DZGCQCFKSA-N 1 1 231.339 2.454 20 30 BEEDMO C#CCC[N@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850202 586588067 /nfs/dbraw/zinc/58/80/67/586588067.db2.gz RVLYHQNAEOJQEQ-UKRRQHHQSA-N 1 1 231.339 2.454 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1CCC ZINC000813067463 586590248 /nfs/dbraw/zinc/59/02/48/586590248.db2.gz PYCWYNDFQLHXOD-MGPQQGTHSA-N 1 1 249.354 2.063 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000814668038 586627393 /nfs/dbraw/zinc/62/73/93/586627393.db2.gz WRQMWCVGGCCHJB-JTQLQIEISA-N 1 1 215.724 2.118 20 30 BEEDMO C=C(C)CN[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814932550 586653845 /nfs/dbraw/zinc/65/38/45/586653845.db2.gz IXHZVZSTKAWYTO-UHFFFAOYSA-N 1 1 248.286 2.067 20 30 BEEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOCCC#N)no1 ZINC000815011617 586664058 /nfs/dbraw/zinc/66/40/58/586664058.db2.gz UAONTHZWPINKPV-ZDUSSCGKSA-N 1 1 249.314 2.050 20 30 BEEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOCCC#N)no1 ZINC000815011617 586664060 /nfs/dbraw/zinc/66/40/60/586664060.db2.gz UAONTHZWPINKPV-ZDUSSCGKSA-N 1 1 249.314 2.050 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000815281447 586676826 /nfs/dbraw/zinc/67/68/26/586676826.db2.gz KKEHYNMBXZBWEM-OAHLLOKOSA-N 1 1 231.339 2.292 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000815281210 586676849 /nfs/dbraw/zinc/67/68/49/586676849.db2.gz YEDUWNLLUJPBHH-UHFFFAOYSA-N 1 1 231.295 2.067 20 30 BEEDMO C#CCCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815292612 586677159 /nfs/dbraw/zinc/67/71/59/586677159.db2.gz GPOKCAOKYLMYQN-AWEZNQCLSA-N 1 1 221.344 2.291 20 30 BEEDMO CC#CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445642 586684843 /nfs/dbraw/zinc/68/48/43/586684843.db2.gz DZMDAGNDFLPHSQ-AWEZNQCLSA-N 1 1 249.354 2.350 20 30 BEEDMO C=CCCC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816513851 586738556 /nfs/dbraw/zinc/73/85/56/586738556.db2.gz DOXHUPZSZIFBOE-UHFFFAOYSA-N 1 1 227.739 2.472 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000816513851 586738558 /nfs/dbraw/zinc/73/85/58/586738558.db2.gz DOXHUPZSZIFBOE-UHFFFAOYSA-N 1 1 227.739 2.472 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000816647532 586750485 /nfs/dbraw/zinc/75/04/85/586750485.db2.gz UFPVLIBETHTKOU-IUCAKERBSA-N 1 1 206.314 2.460 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1 ZINC000817415571 586802466 /nfs/dbraw/zinc/80/24/66/586802466.db2.gz ZCGZXACHTKHQPG-DOMZBBRYSA-N 1 1 229.323 2.013 20 30 BEEDMO C[C@H](C#N)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819048131 586927370 /nfs/dbraw/zinc/92/73/70/586927370.db2.gz SJMYFYSZSRWGJZ-SKDRFNHKSA-N 1 1 238.718 2.123 20 30 BEEDMO C[C@@H](C#N)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000819048130 586927738 /nfs/dbraw/zinc/92/77/38/586927738.db2.gz SJMYFYSZSRWGJZ-CABZTGNLSA-N 1 1 238.718 2.123 20 30 BEEDMO Cc1nc2c(s1)[C@@H]([NH2+]CCC#N)CCC2 ZINC000819216401 586939459 /nfs/dbraw/zinc/93/94/59/586939459.db2.gz GCORVNBJDNGWSN-VIFPVBQESA-N 1 1 221.329 2.332 20 30 BEEDMO N#CC1(C[NH2+]C[C@H](O)c2ccccc2F)CCC1 ZINC000819378184 586959210 /nfs/dbraw/zinc/95/92/10/586959210.db2.gz WDZIPQROPSMKEM-ZDUSSCGKSA-N 1 1 248.301 2.143 20 30 BEEDMO C#CCCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823606930 587232933 /nfs/dbraw/zinc/23/29/33/587232933.db2.gz XHLDGLKRDUSFCF-HNNXBMFYSA-N 1 1 231.339 2.239 20 30 BEEDMO CCOC(=O)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000824271224 587264157 /nfs/dbraw/zinc/26/41/57/587264157.db2.gz HDXJCVNBARFASD-XSRFYTQQSA-N 1 1 238.331 2.000 20 30 BEEDMO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000824841136 587287901 /nfs/dbraw/zinc/28/79/01/587287901.db2.gz GHIJUNLVIOROBM-STQMWFEESA-N 1 1 238.375 2.141 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825339066 587315672 /nfs/dbraw/zinc/31/56/72/587315672.db2.gz ZOVNYLRACSJFGS-HNNXBMFYSA-N 1 1 243.350 2.262 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000825339067 587316109 /nfs/dbraw/zinc/31/61/09/587316109.db2.gz ZOVNYLRACSJFGS-OAHLLOKOSA-N 1 1 243.350 2.262 20 30 BEEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000825625112 587327413 /nfs/dbraw/zinc/32/74/13/587327413.db2.gz GNEIWJUVSNFGDG-OLZOCXBDSA-N 1 1 238.375 2.189 20 30 BEEDMO C#CC[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000826578899 587355475 /nfs/dbraw/zinc/35/54/75/587355475.db2.gz NRRLQISFEGSDDX-LLVKDONJSA-N 1 1 240.310 2.198 20 30 BEEDMO C#CC[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000826578901 587355499 /nfs/dbraw/zinc/35/54/99/587355499.db2.gz NRRLQISFEGSDDX-NSHDSACASA-N 1 1 240.310 2.198 20 30 BEEDMO CN(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1F ZINC000826991136 587367299 /nfs/dbraw/zinc/36/72/99/587367299.db2.gz UWQXYFFJHPUJJJ-UHFFFAOYSA-N 1 1 247.317 2.237 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000827602897 587391804 /nfs/dbraw/zinc/39/18/04/587391804.db2.gz YDVJGTZIYMBLPA-HZPDHXFCSA-N 1 1 241.334 2.136 20 30 BEEDMO COc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1O ZINC000827648569 587394288 /nfs/dbraw/zinc/39/42/88/587394288.db2.gz BDVXKAQVVNMRRH-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO COc1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1O ZINC000827648569 587394289 /nfs/dbraw/zinc/39/42/89/587394289.db2.gz BDVXKAQVVNMRRH-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1 ZINC000827692721 587396759 /nfs/dbraw/zinc/39/67/59/587396759.db2.gz METPGUXWIICFRW-CJNGLKHVSA-N 1 1 243.350 2.118 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cc(C)oc1C ZINC000827822770 587404509 /nfs/dbraw/zinc/40/45/09/587404509.db2.gz FNBZAOCHKCZDFN-UHFFFAOYSA-N 1 1 235.327 2.368 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCC[C@H]1CCOC1 ZINC000828434091 587439698 /nfs/dbraw/zinc/43/96/98/587439698.db2.gz MDDBGROETQWVSS-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1cc(C)ccc1F ZINC000828549306 587450143 /nfs/dbraw/zinc/45/01/43/587450143.db2.gz CXZRNYQFYDTWCE-UHFFFAOYSA-N 1 1 235.302 2.216 20 30 BEEDMO C=CCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000828987655 587477599 /nfs/dbraw/zinc/47/75/99/587477599.db2.gz IVCKOHBEMNVGHP-ZDUSSCGKSA-N 1 1 223.316 2.124 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCN(C)Cc1ccccc1 ZINC000829244199 587490044 /nfs/dbraw/zinc/49/00/44/587490044.db2.gz SBARHBBZZCWOGR-UHFFFAOYSA-N 1 1 244.382 2.462 20 30 BEEDMO C#CC(C)(C)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC000829244199 587490048 /nfs/dbraw/zinc/49/00/48/587490048.db2.gz SBARHBBZZCWOGR-UHFFFAOYSA-N 1 1 244.382 2.462 20 30 BEEDMO CC#CCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829378647 587495015 /nfs/dbraw/zinc/49/50/15/587495015.db2.gz YXWHMOHCLAAOQG-INIZCTEOSA-N 1 1 243.350 2.166 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000829768493 587514504 /nfs/dbraw/zinc/51/45/04/587514504.db2.gz DUVNYPKGLBJMKI-KGLIPLIRSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000829778666 587514866 /nfs/dbraw/zinc/51/48/66/587514866.db2.gz GHAKGFSTURBPPM-CQSZACIVSA-N 1 1 245.370 2.272 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000829784016 587515816 /nfs/dbraw/zinc/51/58/16/587515816.db2.gz DGMWDUTXIWBUDE-CYBMUJFWSA-N 1 1 236.384 2.369 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000829785781 587516180 /nfs/dbraw/zinc/51/61/80/587516180.db2.gz ZDAHHLBZLLJFBE-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000829785709 587516192 /nfs/dbraw/zinc/51/61/92/587516192.db2.gz YJCVNBBYJPCEJS-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncc(CC)o2)C1 ZINC000829784650 587516581 /nfs/dbraw/zinc/51/65/81/587516581.db2.gz LLIOQTQBPDAWKB-GFCCVEGCSA-N 1 1 232.327 2.472 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000829805850 587518070 /nfs/dbraw/zinc/51/80/70/587518070.db2.gz WHMXMNDVGIUXBA-HNNXBMFYSA-N 1 1 228.339 2.359 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cnccn2)C1 ZINC000829809876 587518508 /nfs/dbraw/zinc/51/85/08/587518508.db2.gz JJLBJILQMYYLNW-QWHCGFSZSA-N 1 1 229.327 2.273 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000829810282 587518697 /nfs/dbraw/zinc/51/86/97/587518697.db2.gz NEJBZBIJCLGRFM-JQWIXIFHSA-N 1 1 233.315 2.174 20 30 BEEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2noc(C)n2)C1 ZINC000829810282 587518698 /nfs/dbraw/zinc/51/86/98/587518698.db2.gz NEJBZBIJCLGRFM-JQWIXIFHSA-N 1 1 233.315 2.174 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000829815220 587519399 /nfs/dbraw/zinc/51/93/99/587519399.db2.gz HKQLBBAJNHTKAF-WDEREUQCSA-N 1 1 249.276 2.035 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](CC)OC)C1 ZINC000829816033 587519676 /nfs/dbraw/zinc/51/96/76/587519676.db2.gz YESPHBNBCVFTEL-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC1CC[NH+]([C@H](C)c2nnc(CC)o2)CC1 ZINC000830321413 587545831 /nfs/dbraw/zinc/54/58/31/587545831.db2.gz KTNJHQUCIZUZCB-SNVBAGLBSA-N 1 1 233.315 2.038 20 30 BEEDMO C#CCCC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830734509 587565845 /nfs/dbraw/zinc/56/58/45/587565845.db2.gz KNMZSDZKCQRQRM-GFCCVEGCSA-N 1 1 207.317 2.043 20 30 BEEDMO C[C@@H]1CC[C@H](C)C(=NN2CC[NH+](C)CC2)C1 ZINC000834915884 587770789 /nfs/dbraw/zinc/77/07/89/587770789.db2.gz PNHBXCYNBVKMJS-NEPJUHHUSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@@H]1CC[C@H](C)CC1=NN1CC[NH+](C)CC1 ZINC000834915885 587770901 /nfs/dbraw/zinc/77/09/01/587770901.db2.gz PNHBXCYNBVKMJS-NWDGAFQWSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@@H](N=NC1C[C@@H](C)[N@H+](C2CC2)C1)C(F)(F)F ZINC000834999254 587776617 /nfs/dbraw/zinc/77/66/17/587776617.db2.gz CITUOAUMMQISEN-HTQZYQBOSA-N 1 1 249.280 2.139 20 30 BEEDMO C=CCON=C1CC[N@H+](Cc2ccccc2)C1 ZINC000835015862 587778474 /nfs/dbraw/zinc/77/84/74/587778474.db2.gz NMGACUOFXKKZBZ-UHFFFAOYSA-N 1 1 230.311 2.451 20 30 BEEDMO C=CCON=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000835015862 587778475 /nfs/dbraw/zinc/77/84/75/587778475.db2.gz NMGACUOFXKKZBZ-UHFFFAOYSA-N 1 1 230.311 2.451 20 30 BEEDMO C=CC(C)(C)C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000835211331 587789448 /nfs/dbraw/zinc/78/94/48/587789448.db2.gz FPQDSAVLAZWECL-SNVBAGLBSA-N 1 1 236.315 2.335 20 30 BEEDMO C1CCC2(C1)CCC(N=NC1=[NH+]CCN1)CC2 ZINC000841658981 587969092 /nfs/dbraw/zinc/96/90/92/587969092.db2.gz GPOAUIWAFOMMNB-UHFFFAOYSA-N 1 1 234.347 2.026 20 30 BEEDMO C#Cc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841899897 587983032 /nfs/dbraw/zinc/98/30/32/587983032.db2.gz YOPVYOUKXMRVIH-UHFFFAOYSA-N 1 1 224.307 2.451 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cn2cc(Cl)cn2)C1 ZINC000842628992 588047198 /nfs/dbraw/zinc/04/71/98/588047198.db2.gz HUVPPMXHYYMZMQ-NSHDSACASA-N 1 1 237.734 2.229 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000842628992 588047200 /nfs/dbraw/zinc/04/72/00/588047200.db2.gz HUVPPMXHYYMZMQ-NSHDSACASA-N 1 1 237.734 2.229 20 30 BEEDMO CCCCCCCCOCc1nc(C[NH3+])no1 ZINC000842651140 588048886 /nfs/dbraw/zinc/04/88/86/588048886.db2.gz SOUKXPBBGHVZKH-UHFFFAOYSA-N 1 1 241.335 2.405 20 30 BEEDMO N#CCC[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843083101 588080817 /nfs/dbraw/zinc/08/08/17/588080817.db2.gz GADQRCLNDMBBHO-JTQLQIEISA-N 1 1 242.681 2.016 20 30 BEEDMO C#CCC[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000844408524 588190563 /nfs/dbraw/zinc/19/05/63/588190563.db2.gz DYISCKSUDOQFEJ-UHFFFAOYSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000844408524 588190565 /nfs/dbraw/zinc/19/05/65/588190565.db2.gz DYISCKSUDOQFEJ-UHFFFAOYSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000844475530 588198697 /nfs/dbraw/zinc/19/86/97/588198697.db2.gz WMSDCHKWMZIUHN-LBPRGKRZSA-N 1 1 239.359 2.452 20 30 BEEDMO C=C(C)CO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000844616555 588208385 /nfs/dbraw/zinc/20/83/85/588208385.db2.gz BUYBYBXJXDQYOT-UHFFFAOYSA-N 1 1 246.314 2.003 20 30 BEEDMO C=C(C)CON=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000844618855 588208480 /nfs/dbraw/zinc/20/84/80/588208480.db2.gz LANKEHLXBZRDLR-JTQLQIEISA-N 1 1 208.305 2.049 20 30 BEEDMO C=C(C)CON=C1CC[N@H+](CC)C[C@H]1C ZINC000844618809 588208751 /nfs/dbraw/zinc/20/87/51/588208751.db2.gz IYDUATDAAOKVPF-LLVKDONJSA-N 1 1 210.321 2.297 20 30 BEEDMO C=CCCCC(=O)NCCC[N@H+](C)CC(C)C ZINC000844656109 588212910 /nfs/dbraw/zinc/21/29/10/588212910.db2.gz JIIJNKGGNSDPPL-UHFFFAOYSA-N 1 1 240.391 2.437 20 30 BEEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000846112619 588257307 /nfs/dbraw/zinc/25/73/07/588257307.db2.gz SPGUBOOURJZBMY-AOOOYVTPSA-N 1 1 240.278 2.317 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000846112619 588257308 /nfs/dbraw/zinc/25/73/08/588257308.db2.gz SPGUBOOURJZBMY-AOOOYVTPSA-N 1 1 240.278 2.317 20 30 BEEDMO CC[N@H+]1CCN(c2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000846755079 588285888 /nfs/dbraw/zinc/28/58/88/588285888.db2.gz FVKNOKVDFBHDJG-ZDUSSCGKSA-N 1 1 243.354 2.397 20 30 BEEDMO N#CCCCC[C@@H]([NH3+])c1nc(CC2CC2)no1 ZINC000846769488 588286823 /nfs/dbraw/zinc/28/68/23/588286823.db2.gz GWOQJQNULQDEFN-SNVBAGLBSA-N 1 1 234.303 2.106 20 30 BEEDMO N#CCCCC[C@H]([NH3+])c1nc(C2CC2)no1 ZINC000846770391 588287186 /nfs/dbraw/zinc/28/71/86/588287186.db2.gz CEPVTFMNTABAIR-VIFPVBQESA-N 1 1 220.276 2.031 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccc2nonc2c1 ZINC000846847615 588292923 /nfs/dbraw/zinc/29/29/23/588292923.db2.gz JZPCBFLGWXOTHZ-UHFFFAOYSA-N 1 1 217.272 2.231 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000846992904 588300598 /nfs/dbraw/zinc/30/05/98/588300598.db2.gz MCIJXFFDSUIKNP-STQMWFEESA-N 1 1 236.290 2.141 20 30 BEEDMO C=CCCCC(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000846988498 588300682 /nfs/dbraw/zinc/30/06/82/588300682.db2.gz LRZGCELJXQLBTE-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000847019867 588301477 /nfs/dbraw/zinc/30/14/77/588301477.db2.gz SVNPNLGIAQPZDL-MCIONIFRSA-N 1 1 221.344 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000847018853 588301895 /nfs/dbraw/zinc/30/18/95/588301895.db2.gz NBBUPCDYUSUEIT-HOCLYGCPSA-N 1 1 243.350 2.455 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000847019116 588301946 /nfs/dbraw/zinc/30/19/46/588301946.db2.gz OUXQYLCOSLQRJE-UKRRQHHQSA-N 1 1 235.371 2.273 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000847019025 588301948 /nfs/dbraw/zinc/30/19/48/588301948.db2.gz NPLPVHXGSMNVAS-LLVKDONJSA-N 1 1 220.341 2.031 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(CC)cn2)C1 ZINC000847018528 588301995 /nfs/dbraw/zinc/30/19/95/588301995.db2.gz KXEVOUIGPSMCII-CQSZACIVSA-N 1 1 228.339 2.489 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000847019864 588302307 /nfs/dbraw/zinc/30/23/07/588302307.db2.gz SVNPNLGIAQPZDL-BFHYXJOUSA-N 1 1 221.344 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2(COC)CCC2)C1 ZINC000847019835 588302397 /nfs/dbraw/zinc/30/23/97/588302397.db2.gz SSXWHISNKZZULT-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000847019654 588302453 /nfs/dbraw/zinc/30/24/53/588302453.db2.gz SNGLVBXRMCBAIN-SNVBAGLBSA-N 1 1 213.271 2.377 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000847022035 588302498 /nfs/dbraw/zinc/30/24/98/588302498.db2.gz RLFQYFHWGNBEMC-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000847021035 588302606 /nfs/dbraw/zinc/30/26/06/588302606.db2.gz HYXHWXXFBVOOKY-ZDUSSCGKSA-N 1 1 231.343 2.309 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000847021035 588302607 /nfs/dbraw/zinc/30/26/07/588302607.db2.gz HYXHWXXFBVOOKY-ZDUSSCGKSA-N 1 1 231.343 2.309 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000847021936 588302645 /nfs/dbraw/zinc/30/26/45/588302645.db2.gz DCYVAUNAQRJBRZ-HIFRSBDPSA-N 1 1 229.323 2.065 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000847022059 588302960 /nfs/dbraw/zinc/30/29/60/588302960.db2.gz FEIKXSBQQZSWPV-GOEBONIOSA-N 1 1 243.350 2.239 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCC)n2)C1 ZINC000847021912 588303023 /nfs/dbraw/zinc/30/30/23/588303023.db2.gz QLASDSNFHGYNLP-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000847022914 588303197 /nfs/dbraw/zinc/30/31/97/588303197.db2.gz JQKDRIUGNLGEFM-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000847022914 588303198 /nfs/dbraw/zinc/30/31/98/588303198.db2.gz JQKDRIUGNLGEFM-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000847023054 588303457 /nfs/dbraw/zinc/30/34/57/588303457.db2.gz KTBPZQAGLWIVLS-WFASDCNBSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000847025295 588303547 /nfs/dbraw/zinc/30/35/47/588303547.db2.gz NPSRVVGYSYQEBU-LLVKDONJSA-N 1 1 249.276 2.301 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCCCC(=O)OCC)C1 ZINC000847024743 588303729 /nfs/dbraw/zinc/30/37/29/588303729.db2.gz KUOCBQTYQLAUAE-ZDUSSCGKSA-N 1 1 237.343 2.065 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000847033638 588304364 /nfs/dbraw/zinc/30/43/64/588304364.db2.gz FTYIELJDSHNLSI-KGLIPLIRSA-N 1 1 221.344 2.148 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](CC(C)C)OC)C1 ZINC000847036597 588304605 /nfs/dbraw/zinc/30/46/05/588304605.db2.gz PGTJLYBFJWPQPP-UONOGXRCSA-N 1 1 223.360 2.393 20 30 BEEDMO C=CC(C)(C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847821025 588333850 /nfs/dbraw/zinc/33/38/50/588333850.db2.gz XTEWCCPGGVXGSZ-LLVKDONJSA-N 1 1 225.332 2.084 20 30 BEEDMO CCCCNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848403619 588378177 /nfs/dbraw/zinc/37/81/77/588378177.db2.gz WVPPYLYRXMGLDL-ZDUSSCGKSA-N 1 1 223.364 2.380 20 30 BEEDMO COCCCON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848410210 588380083 /nfs/dbraw/zinc/38/00/83/588380083.db2.gz DMGNDMRICSOEAS-ZDUSSCGKSA-N 1 1 240.347 2.044 20 30 BEEDMO C=C(C)CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848411347 588380740 /nfs/dbraw/zinc/38/07/40/588380740.db2.gz OIKVQASDJIHTIZ-ZDUSSCGKSA-N 1 1 221.348 2.156 20 30 BEEDMO C1C2CC1(NN=C1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000848413796 588381024 /nfs/dbraw/zinc/38/10/24/588381024.db2.gz SWUDIRIHJFRLFJ-HRDQMINSSA-N 1 1 233.359 2.133 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCCC(C)(C)C#N ZINC000848517347 588389614 /nfs/dbraw/zinc/38/96/14/588389614.db2.gz DBPBIQWCVMHOCJ-DTWKUNHWSA-N 1 1 209.293 2.081 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000848518813 588390682 /nfs/dbraw/zinc/39/06/82/588390682.db2.gz JJGSZAVGEKRECS-ZWNOBZJWSA-N 1 1 243.310 2.407 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000848923106 588420771 /nfs/dbraw/zinc/42/07/71/588420771.db2.gz GFLDASHZRBNQQZ-GFCCVEGCSA-N 1 1 245.322 2.246 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000848923351 588421356 /nfs/dbraw/zinc/42/13/56/588421356.db2.gz CCTNDBUIHZUGPY-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000848923389 588421427 /nfs/dbraw/zinc/42/14/27/588421427.db2.gz CYLFNIQFSNHVTQ-LLVKDONJSA-N 1 1 233.286 2.377 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000848924309 588421635 /nfs/dbraw/zinc/42/16/35/588421635.db2.gz PPVPHNWVHKFHRF-VXGBXAGGSA-N 1 1 209.358 2.085 20 30 BEEDMO Cc1cc(C)cc([C@@H](O)C[NH+]2CC(CC#N)C2)c1 ZINC000849326103 588473101 /nfs/dbraw/zinc/47/31/01/588473101.db2.gz CSPURNDZXNCKES-HNNXBMFYSA-N 1 1 244.338 2.182 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC1(C)C ZINC000850826484 588569396 /nfs/dbraw/zinc/56/93/96/588569396.db2.gz MTZWYJXDWKUYGL-OLZOCXBDSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CCOCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000851711365 588615224 /nfs/dbraw/zinc/61/52/24/588615224.db2.gz ZPCQOQXHZSXSPB-UHFFFAOYSA-N 1 1 247.313 2.440 20 30 BEEDMO C[N@@H+](CCOC(F)F)Cc1cccc(C#N)c1 ZINC000851715219 588615910 /nfs/dbraw/zinc/61/59/10/588615910.db2.gz NXTYDULJPWBDIT-UHFFFAOYSA-N 1 1 240.253 2.229 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000851714186 588615947 /nfs/dbraw/zinc/61/59/47/588615947.db2.gz GCWKBIVXFWSVFB-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CCOCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000851715792 588616478 /nfs/dbraw/zinc/61/64/78/588616478.db2.gz BTEGVNMIBKIZHV-UHFFFAOYSA-N 1 1 229.323 2.301 20 30 BEEDMO C=CC[N@H+](CCO[C@@H]1CC1(F)F)C(C)C ZINC000851730882 588619205 /nfs/dbraw/zinc/61/92/05/588619205.db2.gz HYFVBMDVYDPHSA-SNVBAGLBSA-N 1 1 219.275 2.307 20 30 BEEDMO C#CCOCC[N@H+]1CCc2ccccc2[C@@H]1C ZINC000851762559 588624433 /nfs/dbraw/zinc/62/44/33/588624433.db2.gz SOMVYNJSGMKIRE-ZDUSSCGKSA-N 1 1 229.323 2.256 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000851772358 588626039 /nfs/dbraw/zinc/62/60/39/588626039.db2.gz FQDVLRXSYUFKQT-AWEZNQCLSA-N 1 1 223.360 2.394 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000851779369 588626870 /nfs/dbraw/zinc/62/68/70/588626870.db2.gz SNZSTYMSDLKFGS-GFCCVEGCSA-N 1 1 247.313 2.395 20 30 BEEDMO COC(CC[N@@H+](CCC#N)CC(C)(C)C)OC ZINC000851780626 588627259 /nfs/dbraw/zinc/62/72/59/588627259.db2.gz JZYOKJIVSHMAIS-UHFFFAOYSA-N 1 1 242.363 2.257 20 30 BEEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccccn1 ZINC000851780713 588627553 /nfs/dbraw/zinc/62/75/53/588627553.db2.gz UMMQMADEIOURGX-ZDUSSCGKSA-N 1 1 220.316 2.013 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H](C)CCSCC ZINC000851850190 588634921 /nfs/dbraw/zinc/63/49/21/588634921.db2.gz HQRUZMPDQHVZGS-GFCCVEGCSA-N 1 1 229.389 2.100 20 30 BEEDMO C#CCOCC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000851855108 588635367 /nfs/dbraw/zinc/63/53/67/588635367.db2.gz ZYKJWLLRDDTKTM-LBPRGKRZSA-N 1 1 233.311 2.455 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000851913509 588643191 /nfs/dbraw/zinc/64/31/91/588643191.db2.gz YGDDVDFKIOOHAW-MNOVXSKESA-N 1 1 249.276 2.299 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000851918930 588643691 /nfs/dbraw/zinc/64/36/91/588643691.db2.gz GBNLVJSRXMFGDW-ZIAGYGMSSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000851924540 588644155 /nfs/dbraw/zinc/64/41/55/588644155.db2.gz PLNRZESVUKVZPN-GFCCVEGCSA-N 1 1 209.333 2.004 20 30 BEEDMO C#CC[N@@H+](C)CCc1nsc2ccccc21 ZINC000851978759 588650917 /nfs/dbraw/zinc/65/09/17/588650917.db2.gz RKGWFUJJAODYSD-UHFFFAOYSA-N 1 1 230.336 2.404 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@H](OC)C1CCC1 ZINC000851986141 588651793 /nfs/dbraw/zinc/65/17/93/588651793.db2.gz COFSZTSEDOKXGW-LBPRGKRZSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CCOCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000852017723 588655925 /nfs/dbraw/zinc/65/59/25/588655925.db2.gz DMCQXGHEWZFYRH-UHFFFAOYSA-N 1 1 245.322 2.409 20 30 BEEDMO C=CCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020302 588656015 /nfs/dbraw/zinc/65/60/15/588656015.db2.gz XEUVDDHBFRRIJX-UHFFFAOYSA-N 1 1 237.730 2.419 20 30 BEEDMO C#CCOCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000852039096 588657182 /nfs/dbraw/zinc/65/71/82/588657182.db2.gz SOGXPNSBIYVITH-UHFFFAOYSA-N 1 1 231.295 2.019 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000852100470 588662813 /nfs/dbraw/zinc/66/28/13/588662813.db2.gz HBSIYVJZXUCUKC-KWQFWETISA-N 1 1 223.345 2.299 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]Cc1noc2c1CCCC2 ZINC000852103114 588663306 /nfs/dbraw/zinc/66/33/06/588663306.db2.gz XYDNGZZXQVBWSK-AWEZNQCLSA-N 1 1 232.327 2.445 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000852104123 588663681 /nfs/dbraw/zinc/66/36/81/588663681.db2.gz BMTIQOXGIUYAAB-ZDUSSCGKSA-N 1 1 218.300 2.444 20 30 BEEDMO C=C(Cl)CN1CCC[N@H+](CC)C[C@H]1C ZINC000852165664 588668892 /nfs/dbraw/zinc/66/88/92/588668892.db2.gz HCTCTXBTKYXOKR-LLVKDONJSA-N 1 1 216.756 2.155 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000852206326 588671310 /nfs/dbraw/zinc/67/13/10/588671310.db2.gz HCLOZVQOLNYRBB-NWDGAFQWSA-N 1 1 243.297 2.146 20 30 BEEDMO C[Si](C)(C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852320137 588678312 /nfs/dbraw/zinc/67/83/12/588678312.db2.gz WYSWJBKVOZWAJX-NSHDSACASA-N 1 1 210.397 2.489 20 30 BEEDMO C=CC[N@H+](Cc1cccc(F)n1)[C@@H](C)COC ZINC000852356428 588679620 /nfs/dbraw/zinc/67/96/20/588679620.db2.gz DQAFWVQUUSCIRS-NSHDSACASA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@@H+](Cc1cccc(F)n1)[C@@H](C)COC ZINC000852356428 588679621 /nfs/dbraw/zinc/67/96/21/588679621.db2.gz DQAFWVQUUSCIRS-NSHDSACASA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000852410093 588680735 /nfs/dbraw/zinc/68/07/35/588680735.db2.gz HRQQVVZWVSFCGL-YPMHNXCESA-N 1 1 209.333 2.045 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCC(OC)OC)C1 ZINC000852410271 588681358 /nfs/dbraw/zinc/68/13/58/588681358.db2.gz KWNOBHIIDDFTGE-LBPRGKRZSA-N 1 1 227.348 2.284 20 30 BEEDMO C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852520326 588687673 /nfs/dbraw/zinc/68/76/73/588687673.db2.gz GKCNJOUNLYNNMY-JKSUJKDBSA-N 1 1 243.350 2.108 20 30 BEEDMO CCCCCCC[N@H+](C)Cc1cn(C)nn1 ZINC000852552936 588689611 /nfs/dbraw/zinc/68/96/11/588689611.db2.gz JPZVURGHUJPMFU-UHFFFAOYSA-N 1 1 224.352 2.217 20 30 BEEDMO CCCCCCC[N@@H+](C)Cc1cn(C)nn1 ZINC000852552936 588689612 /nfs/dbraw/zinc/68/96/12/588689612.db2.gz JPZVURGHUJPMFU-UHFFFAOYSA-N 1 1 224.352 2.217 20 30 BEEDMO C=CCCC[C@H](C)[N@H+](C)CCN(C)C(=O)OC ZINC000852569117 588691423 /nfs/dbraw/zinc/69/14/23/588691423.db2.gz DHQOJYUOMJRUFT-LBPRGKRZSA-N 1 1 242.363 2.361 20 30 BEEDMO C#CCCC[N@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852600474 588692672 /nfs/dbraw/zinc/69/26/72/588692672.db2.gz AYEFFFSCNSZONR-NXEZZACHSA-N 1 1 235.249 2.051 20 30 BEEDMO C#CCCC[N@@H+]1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852600474 588692673 /nfs/dbraw/zinc/69/26/73/588692673.db2.gz AYEFFFSCNSZONR-NXEZZACHSA-N 1 1 235.249 2.051 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000852672485 588695109 /nfs/dbraw/zinc/69/51/09/588695109.db2.gz DFNVZLRWOHVPBG-CQSZACIVSA-N 1 1 221.344 2.148 20 30 BEEDMO Cc1ccc([C@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852684780 588695714 /nfs/dbraw/zinc/69/57/14/588695714.db2.gz OCDSDHKQEJVZEL-CABCVRRESA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccc([C@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852684780 588695715 /nfs/dbraw/zinc/69/57/15/588695715.db2.gz OCDSDHKQEJVZEL-CABCVRRESA-N 1 1 244.338 2.264 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1OCCCO1 ZINC000852685346 588695946 /nfs/dbraw/zinc/69/59/46/588695946.db2.gz FRLQWYKJNRCSOB-BETUJISGSA-N 1 1 237.343 2.323 20 30 BEEDMO C#CCOCC[N@H+]1[C@H](CC)CCC[C@@H]1C ZINC000852710967 588696991 /nfs/dbraw/zinc/69/69/91/588696991.db2.gz BMJCSCIBYJIFOY-QWHCGFSZSA-N 1 1 209.333 2.289 20 30 BEEDMO C#CCC[N@H+](CCCC(C)C)CCOC ZINC000852748519 588699594 /nfs/dbraw/zinc/69/95/94/588699594.db2.gz CDLBLXVYTSGLEW-UHFFFAOYSA-N 1 1 211.349 2.394 20 30 BEEDMO C#CC[N@H+](CC#CC)C[C@@]1(C)CCCS1 ZINC000862247100 589196876 /nfs/dbraw/zinc/19/68/76/589196876.db2.gz RDHQKAYLKZLYCJ-CYBMUJFWSA-N 1 1 221.369 2.231 20 30 BEEDMO C#CC[N@@H+](Cc1ccnc(F)c1C)C1CC1 ZINC000862327114 589201109 /nfs/dbraw/zinc/20/11/09/589201109.db2.gz YOHHOCIRJQLNQZ-UHFFFAOYSA-N 1 1 218.275 2.127 20 30 BEEDMO C#CC[N@H+](Cc1ccnc(F)c1C)C1CC1 ZINC000862327114 589201110 /nfs/dbraw/zinc/20/11/10/589201110.db2.gz YOHHOCIRJQLNQZ-UHFFFAOYSA-N 1 1 218.275 2.127 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccnc(F)c1C ZINC000862325482 589201380 /nfs/dbraw/zinc/20/13/80/589201380.db2.gz CGCSWDGDAUKJAB-LLVKDONJSA-N 1 1 221.279 2.311 20 30 BEEDMO CCCCCCCNC(=O)Cn1c[nH+]cc1C ZINC000862354677 589202385 /nfs/dbraw/zinc/20/23/85/589202385.db2.gz DISOMUOPRCEYBY-UHFFFAOYSA-N 1 1 237.347 2.278 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](Cc2cnn(C)c2Cl)C1 ZINC000862440026 589212585 /nfs/dbraw/zinc/21/25/85/589212585.db2.gz DRGFEPCAZLNXKR-SNVBAGLBSA-N 1 1 239.750 2.472 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2Cl)C1 ZINC000862439999 589212876 /nfs/dbraw/zinc/21/28/76/589212876.db2.gz DCNNWOCZIZSDTO-SNVBAGLBSA-N 1 1 239.750 2.472 20 30 BEEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000862441049 589212958 /nfs/dbraw/zinc/21/29/58/589212958.db2.gz NUWMXZORLLVATA-JTQLQIEISA-N 1 1 239.750 2.472 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)o2)C1 ZINC000862444214 589213940 /nfs/dbraw/zinc/21/39/40/589213940.db2.gz ZQKQQZPMCJETRU-LBPRGKRZSA-N 1 1 203.285 2.433 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000862444027 589214188 /nfs/dbraw/zinc/21/41/88/589214188.db2.gz WLTFYEAGXLKKQX-ZDUSSCGKSA-N 1 1 245.370 2.483 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC000862444901 589214294 /nfs/dbraw/zinc/21/42/94/589214294.db2.gz INNWBNZJPDBFIW-NSHDSACASA-N 1 1 230.311 2.397 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000862444919 589214336 /nfs/dbraw/zinc/21/43/36/589214336.db2.gz IXEZVPCKNLFWSM-LBPRGKRZSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)cn2)C1 ZINC000862445159 589214594 /nfs/dbraw/zinc/21/45/94/589214594.db2.gz NHMMEWIDIDSKEV-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO CC(C)CCCC=NN1CC[NH+](C)CC1 ZINC000863064533 589253652 /nfs/dbraw/zinc/25/36/52/589253652.db2.gz KINAWBMAURIDOQ-UHFFFAOYSA-N 1 1 211.353 2.046 20 30 BEEDMO Cc1cccc(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)n1 ZINC000863160190 589264555 /nfs/dbraw/zinc/26/45/55/589264555.db2.gz UPYPOPPRIVIQSE-JTQLQIEISA-N 1 1 244.342 2.272 20 30 BEEDMO C(CCc1ccc2c(c1)CCO2)=[NH+]n1cccn1 ZINC000863164961 589266689 /nfs/dbraw/zinc/26/66/89/589266689.db2.gz XOGIAVPHZFOORT-UHFFFAOYSA-N 1 1 241.294 2.285 20 30 BEEDMO C=CCCO[NH+]=C(N)CCC(F)(F)F ZINC000863489880 589293799 /nfs/dbraw/zinc/29/37/99/589293799.db2.gz WGORLMLXOKSUJS-UHFFFAOYSA-N 1 1 210.199 2.403 20 30 BEEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)C(C)C)C1 ZINC000865819467 589463276 /nfs/dbraw/zinc/46/32/76/589463276.db2.gz KGIMBIPYLAEBGS-UHFFFAOYSA-N 1 1 238.375 2.189 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000123065601 589658357 /nfs/dbraw/zinc/65/83/57/589658357.db2.gz ZUWKGZMPSAFCCM-JTQLQIEISA-N 1 1 243.335 2.316 20 30 BEEDMO CCCCCCCC[N@H+]1CCO[C@H](CO)C1 ZINC000123513384 589740350 /nfs/dbraw/zinc/74/03/50/589740350.db2.gz YMHNQAMURALPSH-ZDUSSCGKSA-N 1 1 229.364 2.040 20 30 BEEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(C#N)o1 ZINC000871662017 589784193 /nfs/dbraw/zinc/78/41/93/589784193.db2.gz JQUVFQYWINBJPX-VIFPVBQESA-N 1 1 231.255 2.022 20 30 BEEDMO C=C(Cl)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317017 589910449 /nfs/dbraw/zinc/91/04/49/589910449.db2.gz FDXGDBFUITYYSE-UHFFFAOYSA-N 1 1 237.734 2.086 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317017 589910452 /nfs/dbraw/zinc/91/04/52/589910452.db2.gz FDXGDBFUITYYSE-UHFFFAOYSA-N 1 1 237.734 2.086 20 30 BEEDMO C[C@@H]1C(N=Nc2cccc(F)c2)CC[N@H+]1C ZINC000872345492 589915492 /nfs/dbraw/zinc/91/54/92/589915492.db2.gz QGAYJFCBQVJUPS-SECBINFHSA-N 1 1 221.279 2.318 20 30 BEEDMO C[C@@H]1C(=NNCCc2ccccc2F)CC[N@H+]1C ZINC000872359205 589918671 /nfs/dbraw/zinc/91/86/71/589918671.db2.gz VTAJAFKXLPWRTI-LLVKDONJSA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@@H]1C(=NNCCc2ccccc2F)CC[N@@H+]1C ZINC000872359205 589918674 /nfs/dbraw/zinc/91/86/74/589918674.db2.gz VTAJAFKXLPWRTI-LLVKDONJSA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@@H]1C(=NOCCC(F)(F)F)CC[N@@H+]1C ZINC000872366278 589921228 /nfs/dbraw/zinc/92/12/28/589921228.db2.gz VBUZZGUMRCSATC-SSDOTTSWSA-N 1 1 224.226 2.035 20 30 BEEDMO CCN(CC)c1ncc(C=[NH+]N2CCC2)s1 ZINC000872396222 589933041 /nfs/dbraw/zinc/93/30/41/589933041.db2.gz XRLIBKUEEDSIIJ-UHFFFAOYSA-N 1 1 238.360 2.029 20 30 BEEDMO CC(=[NH+]N1CCC1)c1ccc(Cl)c(N)c1 ZINC000872398612 589934888 /nfs/dbraw/zinc/93/48/88/589934888.db2.gz YYPDKXVQFABTAW-UHFFFAOYSA-N 1 1 223.707 2.352 20 30 BEEDMO C[C@H]1C(=NNC[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000872404842 589935234 /nfs/dbraw/zinc/93/52/34/589935234.db2.gz FRKNIUWGIKXTJX-VHSXEESVSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@H]1C(=NNC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000872404842 589935236 /nfs/dbraw/zinc/93/52/36/589935236.db2.gz FRKNIUWGIKXTJX-VHSXEESVSA-N 1 1 245.317 2.091 20 30 BEEDMO C#C[C@H]1CC[C@H](Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000872781141 589970030 /nfs/dbraw/zinc/97/00/30/589970030.db2.gz YSHOTRUIMMRTGO-HAQNSBGRSA-N 1 1 244.342 2.147 20 30 BEEDMO N#Cc1c(F)cccc1C[NH2+]CCOC1CCC1 ZINC000873064436 589982162 /nfs/dbraw/zinc/98/21/62/589982162.db2.gz YITHRMJUWXXXSH-UHFFFAOYSA-N 1 1 248.301 2.356 20 30 BEEDMO Cc1ccccc1CC(N)=[NH+]OCC1CC1 ZINC000124418067 589989243 /nfs/dbraw/zinc/98/92/43/589989243.db2.gz YHKRDMVXDXLGLK-UHFFFAOYSA-N 1 1 218.300 2.236 20 30 BEEDMO CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)NC1 ZINC000873237582 590004629 /nfs/dbraw/zinc/00/46/29/590004629.db2.gz RCWDCVMFZAXEGB-MGPQQGTHSA-N 1 1 249.402 2.437 20 30 BEEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1N ZINC000873279604 590017834 /nfs/dbraw/zinc/01/78/34/590017834.db2.gz JLFITTDJJKPGQH-RYUDHWBXSA-N 1 1 210.365 2.448 20 30 BEEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000874822668 590141390 /nfs/dbraw/zinc/14/13/90/590141390.db2.gz JVHDRZDHMBJTBD-CHWSQXEVSA-N 1 1 248.370 2.038 20 30 BEEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000874822669 590141484 /nfs/dbraw/zinc/14/14/84/590141484.db2.gz JVHDRZDHMBJTBD-OLZOCXBDSA-N 1 1 248.370 2.038 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000876562423 590216319 /nfs/dbraw/zinc/21/63/19/590216319.db2.gz QFYYSTGJHFMXPG-CYBMUJFWSA-N 1 1 237.343 2.208 20 30 BEEDMO C=CC[N@@H+](Cc1ccc(=O)[nH]c1)C(C)C ZINC000876601039 590220871 /nfs/dbraw/zinc/22/08/71/590220871.db2.gz XMFIBNQPPLMMHJ-UHFFFAOYSA-N 1 1 206.289 2.184 20 30 BEEDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](C)C#N ZINC000876617427 590222639 /nfs/dbraw/zinc/22/26/39/590222639.db2.gz NOQHTKQNNXXNJZ-JTQLQIEISA-N 1 1 218.300 2.292 20 30 BEEDMO Cc1cccc(O)c1C[N@H+](C)C[C@@H](C)C#N ZINC000876617427 590222640 /nfs/dbraw/zinc/22/26/40/590222640.db2.gz NOQHTKQNNXXNJZ-JTQLQIEISA-N 1 1 218.300 2.292 20 30 BEEDMO C#CCCCCCC[N@H+](CCC)CC(=O)NC ZINC000876632259 590224404 /nfs/dbraw/zinc/22/44/04/590224404.db2.gz RVLANYQGFQOYDE-UHFFFAOYSA-N 1 1 238.375 2.028 20 30 BEEDMO C#CCCCCCC[N@H+](CCO)CC1CC1 ZINC000876638483 590224703 /nfs/dbraw/zinc/22/47/03/590224703.db2.gz BPLZULRXDUGMKO-UHFFFAOYSA-N 1 1 223.360 2.274 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876638444 590224945 /nfs/dbraw/zinc/22/49/45/590224945.db2.gz ANMYPXFLHNTZKR-HNNXBMFYSA-N 1 1 242.366 2.468 20 30 BEEDMO C#CCCCCCC[N@H+](C)C(C)(C)CO ZINC000876640342 590225321 /nfs/dbraw/zinc/22/53/21/590225321.db2.gz RFIBTURJCSRDKS-UHFFFAOYSA-N 1 1 211.349 2.273 20 30 BEEDMO COCC[N@H+](CCC#N)CCC(C)(C)SC ZINC000876691153 590231180 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/nfs/dbraw/zinc/29/60/94/590296094.db2.gz CZBIZLGGIVIITA-UHFFFAOYSA-N 1 1 233.359 2.436 20 30 BEEDMO C#CCCCCCC[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000877326629 590306588 /nfs/dbraw/zinc/30/65/88/590306588.db2.gz ZWUGDQMQOZQAQQ-XJKSGUPXSA-N 1 1 243.416 2.269 20 30 BEEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)C#N ZINC000877321462 590316395 /nfs/dbraw/zinc/31/63/95/590316395.db2.gz LISMATFPRICTNG-VIFPVBQESA-N 1 1 247.298 2.461 20 30 BEEDMO CCOc1cc(F)cc(C[NH2+]C[C@H](C)C#N)c1 ZINC000877322166 590316428 /nfs/dbraw/zinc/31/64/28/590316428.db2.gz ZVJALRQJAVABJG-SNVBAGLBSA-N 1 1 236.290 2.474 20 30 BEEDMO C#CCCCCCC[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877432363 590326013 /nfs/dbraw/zinc/32/60/13/590326013.db2.gz CCEYPLRFNDBKOR-UONOGXRCSA-N 1 1 223.360 2.273 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1CCO ZINC000877435637 590326654 /nfs/dbraw/zinc/32/66/54/590326654.db2.gz VJIYISHFIGGXMB-AWEZNQCLSA-N 1 1 223.360 2.417 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCC[C@]12CCOC2=O ZINC000877432731 590327165 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2.180 20 30 BEEDMO CC(C)(C)C#CCNC1CC[NH+](C2CC2)CC1 ZINC001256071372 970637470 /nfs/dbraw/zinc/63/74/70/970637470.db2.gz TZGMQVDLNKTSSU-UHFFFAOYSA-N 1 1 234.387 2.252 20 30 BEEDMO C=CCCCNc1cc(-n2cc[nH+]c2C)ncn1 ZINC001170298504 970674493 /nfs/dbraw/zinc/67/44/93/970674493.db2.gz FABFMBKLPTUXJW-UHFFFAOYSA-N 1 1 243.314 2.349 20 30 BEEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](F)CC2)c1 ZINC001144074316 972549351 /nfs/dbraw/zinc/54/93/51/972549351.db2.gz HURBVVXYDQWVIU-CYBMUJFWSA-N 1 1 233.290 2.277 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](OCC=C)C2)cc1 ZINC001327381688 972563116 /nfs/dbraw/zinc/56/31/16/972563116.db2.gz HJKHXUXVTGLCPT-MRXNPFEDSA-N 1 1 241.334 2.445 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CCCC23CC3)nc1 ZINC001144149630 972631709 /nfs/dbraw/zinc/63/17/09/972631709.db2.gz LEJUHQDRVQKGPQ-UHFFFAOYSA-N 1 1 213.284 2.082 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C2(CC2)C1 ZINC001144166830 972657332 /nfs/dbraw/zinc/65/73/32/972657332.db2.gz YFWNRJYCAWKRDR-NSHDSACASA-N 1 1 227.311 2.328 20 30 BEEDMO CC[C@H]1CCCC[C@@H]1C[NH+]1CC(O)(CC#N)C1 ZINC001330098229 972748017 /nfs/dbraw/zinc/74/80/17/972748017.db2.gz JCHSKPFNKGZKEZ-QWHCGFSZSA-N 1 1 236.359 2.163 20 30 BEEDMO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(C#N)cc1 ZINC001327841353 972755586 /nfs/dbraw/zinc/75/55/86/972755586.db2.gz WBLMVRBQAIVEFL-NWDGAFQWSA-N 1 1 231.343 2.207 20 30 BEEDMO CC[N@H+]1CCC[C@@H](CNc2cc(C#N)ccn2)C1 ZINC001327966839 972835615 /nfs/dbraw/zinc/83/56/15/972835615.db2.gz CEYSVSKYQWEAMQ-ZDUSSCGKSA-N 1 1 244.342 2.097 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCOC3(CC3)C2)cc1 ZINC001144578721 972870735 /nfs/dbraw/zinc/87/07/35/972870735.db2.gz KRUNFRLWPYREAB-UHFFFAOYSA-N 1 1 227.307 2.033 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCOC3(CC3)C2)cc1 ZINC001144578721 972870741 /nfs/dbraw/zinc/87/07/41/972870741.db2.gz KRUNFRLWPYREAB-UHFFFAOYSA-N 1 1 227.307 2.033 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2COC)cc1 ZINC001144568390 972874723 /nfs/dbraw/zinc/87/47/23/972874723.db2.gz SZDQSSFTIJSCRQ-HNNXBMFYSA-N 1 1 229.323 2.279 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1 ZINC001144567947 972874931 /nfs/dbraw/zinc/87/49/31/972874931.db2.gz FFTGWDPLOLEDQC-CZUORRHYSA-N 1 1 243.350 2.261 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001144576851 972879468 /nfs/dbraw/zinc/87/94/68/972879468.db2.gz SSLURQHYFOFVFF-SWLSCSKDSA-N 1 1 229.323 2.013 20 30 BEEDMO CCCN(CCC#N)Cc1[nH+]cn2ccccc12 ZINC001144622437 972892960 /nfs/dbraw/zinc/89/29/60/972892960.db2.gz IGFNIEDFIWSHBE-UHFFFAOYSA-N 1 1 242.326 2.460 20 30 BEEDMO C[C@@]1(C#N)CCN(Cc2[nH+]cn3ccccc23)C1 ZINC001144627428 972897593 /nfs/dbraw/zinc/89/75/93/972897593.db2.gz OKHAMFNZCLXGSV-AWEZNQCLSA-N 1 1 240.310 2.070 20 30 BEEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCOCC1 ZINC001171204353 972924084 /nfs/dbraw/zinc/92/40/84/972924084.db2.gz WJISMKPJCXWFNX-CYBMUJFWSA-N 1 1 244.338 2.212 20 30 BEEDMO COC1(C)C[NH+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171204411 972928937 /nfs/dbraw/zinc/92/89/37/972928937.db2.gz XLTZRJXXAKYPOX-GFCCVEGCSA-N 1 1 244.338 2.210 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@](F)(CN)C1 ZINC001246584643 972959781 /nfs/dbraw/zinc/95/97/81/972959781.db2.gz XWIWJDYDCJAWKK-OLZOCXBDSA-N 1 1 241.354 2.222 20 30 BEEDMO C[C@H](CCCC#N)N1CCCC[C@](F)(C[NH3+])C1 ZINC001246584643 972959791 /nfs/dbraw/zinc/95/97/91/972959791.db2.gz XWIWJDYDCJAWKK-OLZOCXBDSA-N 1 1 241.354 2.222 20 30 BEEDMO C#CC[NH+]1CCC(c2nnc([C@@H](C)CC)o2)CC1 ZINC001328346850 972978586 /nfs/dbraw/zinc/97/85/86/972978586.db2.gz IRWSDGYEWZRQNV-NSHDSACASA-N 1 1 247.342 2.396 20 30 BEEDMO CC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C1COC1 ZINC001171220798 972999898 /nfs/dbraw/zinc/99/98/98/972999898.db2.gz CCEXBIZAMXQRIY-GFCCVEGCSA-N 1 1 244.338 2.210 20 30 BEEDMO COC[C@H]1CC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171229987 973023424 /nfs/dbraw/zinc/02/34/24/973023424.db2.gz ABKXBRVAROEHCA-IUODEOHRSA-N 1 1 244.338 2.210 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001328955786 973401069 /nfs/dbraw/zinc/40/10/69/973401069.db2.gz BACYPTFDYIIYGV-INIZCTEOSA-N 1 1 243.350 2.383 20 30 BEEDMO C=C(C)CCCOCC[N@@H+]1CC[C@@H](OC)C1 ZINC001224282212 973502064 /nfs/dbraw/zinc/50/20/64/973502064.db2.gz RJYVXECQZLOFHH-CYBMUJFWSA-N 1 1 227.348 2.080 20 30 BEEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001171308387 973646273 /nfs/dbraw/zinc/64/62/73/973646273.db2.gz QYVAKZPHVYYOST-GRYCIOLGSA-N 1 1 229.327 2.430 20 30 BEEDMO C=C[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1F ZINC001329546957 973817061 /nfs/dbraw/zinc/81/70/61/973817061.db2.gz BUABTIXLSPGFAI-VIFPVBQESA-N 1 1 245.244 2.395 20 30 BEEDMO C#C[C@@H](OC[C@H]1CCCC[N@@H+]1C)c1ccncc1 ZINC001224706484 973875398 /nfs/dbraw/zinc/87/53/98/973875398.db2.gz KRPLHPMZCVYHLR-HUUCEWRRSA-N 1 1 244.338 2.257 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC001329871508 973988925 /nfs/dbraw/zinc/98/89/25/973988925.db2.gz VFBGVNVYSXGVLV-UHFFFAOYSA-N 1 1 247.338 2.085 20 30 BEEDMO C=CCC[C@H](CC)OCCC[NH+]1CCOCC1 ZINC001224866131 974031264 /nfs/dbraw/zinc/03/12/64/974031264.db2.gz DQMVZPSZHFVRDX-AWEZNQCLSA-N 1 1 241.375 2.470 20 30 BEEDMO C=CC[C@H](CCC)OCCC[NH+]1CCOCC1 ZINC001224869864 974040359 /nfs/dbraw/zinc/04/03/59/974040359.db2.gz JLRBSHWCZQSRLX-CQSZACIVSA-N 1 1 241.375 2.470 20 30 BEEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccccc2C#N)C1 ZINC001225196946 974212833 /nfs/dbraw/zinc/21/28/33/974212833.db2.gz CHTAZOHGJMQUOI-CYBMUJFWSA-N 1 1 230.311 2.420 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171937610 974219730 /nfs/dbraw/zinc/21/97/30/974219730.db2.gz RITLJJIRLGLNEZ-FRRDWIJNSA-N 1 1 209.333 2.045 20 30 BEEDMO N#Cc1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001225224678 974263684 /nfs/dbraw/zinc/26/36/84/974263684.db2.gz BEWJPWYJWYVRDT-CYBMUJFWSA-N 1 1 239.278 2.149 20 30 BEEDMO C#CC[C@H](CC)Oc1cccnc1C[NH+](C)C ZINC001225277498 974342793 /nfs/dbraw/zinc/34/27/93/974342793.db2.gz JVXDREUEFMQCBQ-LBPRGKRZSA-N 1 1 232.327 2.324 20 30 BEEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1C#N)C2 ZINC001172126482 974352229 /nfs/dbraw/zinc/35/22/29/974352229.db2.gz WGWYHFIEGOZOKU-XGUBFFRZSA-N 1 1 247.386 2.380 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172109220 974373849 /nfs/dbraw/zinc/37/38/49/974373849.db2.gz IILQIZUVROVHSR-XQLPTFJDSA-N 1 1 234.387 2.393 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172109220 974373857 /nfs/dbraw/zinc/37/38/57/974373857.db2.gz IILQIZUVROVHSR-XQLPTFJDSA-N 1 1 234.387 2.393 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178870 974435146 /nfs/dbraw/zinc/43/51/46/974435146.db2.gz IKGZMDGVOYFSIH-CHWSQXEVSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CC[C@H](C)SCC[NH+]1CCOCC1 ZINC001330817424 974488680 /nfs/dbraw/zinc/48/86/80/974488680.db2.gz XOZBGARQVRZEDY-NSHDSACASA-N 1 1 215.362 2.016 20 30 BEEDMO CO[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308878 974518851 /nfs/dbraw/zinc/51/88/51/974518851.db2.gz AIZXDCSAVIMRRV-DOMZBBRYSA-N 1 1 244.338 2.210 20 30 BEEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@H](C)C1 ZINC001172314900 974520981 /nfs/dbraw/zinc/52/09/81/974520981.db2.gz MHKMHJFBHHIAHS-QWHCGFSZSA-N 1 1 244.338 2.210 20 30 BEEDMO CC(C)[N@@H+](CCN)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172294697 974565900 /nfs/dbraw/zinc/56/59/00/974565900.db2.gz KGPZOSLDUKFZIA-CYBMUJFWSA-N 1 1 245.370 2.158 20 30 BEEDMO CC(C)N(CC[NH3+])[C@H](C)Cc1ccc(C#N)cc1 ZINC001172294697 974565906 /nfs/dbraw/zinc/56/59/06/974565906.db2.gz KGPZOSLDUKFZIA-CYBMUJFWSA-N 1 1 245.370 2.158 20 30 BEEDMO C#CC[N@@H+](CC1CC1)C[C@@H]1CC(C)(C)CO1 ZINC001331108616 974597155 /nfs/dbraw/zinc/59/71/55/974597155.db2.gz CXUCHJZGMDSHBQ-ZDUSSCGKSA-N 1 1 221.344 2.147 20 30 BEEDMO CCOCC[C@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001172429518 974709843 /nfs/dbraw/zinc/70/98/43/974709843.db2.gz ZXOIGFCZZFMZMP-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)co1)CC1CC1 ZINC001331553873 974761004 /nfs/dbraw/zinc/76/10/04/974761004.db2.gz QFRQXAQCNCHMIB-UHFFFAOYSA-N 1 1 203.285 2.433 20 30 BEEDMO C[C@@H](CCCC#N)[NH2+][C@H]1CCCN(C)CC1 ZINC001172479778 974779367 /nfs/dbraw/zinc/77/93/67/974779367.db2.gz ONCSHZBCFOXOMN-STQMWFEESA-N 1 1 223.364 2.143 20 30 BEEDMO COC(=O)[C@@H]([NH2+][C@H](C)CCCC#N)C(C)(C)C ZINC001172481430 974782555 /nfs/dbraw/zinc/78/25/55/974782555.db2.gz UKGCDTQMILHBPW-GHMZBOCLSA-N 1 1 240.347 2.246 20 30 BEEDMO Cc1noc(C2([NH2+][C@@H](C)CCCC#N)CC2)n1 ZINC001172488582 974833323 /nfs/dbraw/zinc/83/33/23/974833323.db2.gz URJGOIZZLPLXHW-VIFPVBQESA-N 1 1 234.303 2.039 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC(=O)C[C@H]1C ZINC001172492161 974839748 /nfs/dbraw/zinc/83/97/48/974839748.db2.gz JDCSUDOGXSFBPQ-GHMZBOCLSA-N 1 1 208.305 2.122 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001172493504 974840190 /nfs/dbraw/zinc/84/01/90/974840190.db2.gz MNJDDRFMHUIOOA-CHWSQXEVSA-N 1 1 242.338 2.255 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001172493638 974841478 /nfs/dbraw/zinc/84/14/78/974841478.db2.gz NGKGIDZLCOFLAD-AGIUHOORSA-N 1 1 224.348 2.162 20 30 BEEDMO COC(=O)[C@@H]1CCCC[N@H+]1[C@H](C)CCCC#N ZINC001172493643 974842502 /nfs/dbraw/zinc/84/25/02/974842502.db2.gz NHHYMKUGSGVTOS-NEPJUHHUSA-N 1 1 238.331 2.096 20 30 BEEDMO COC(=O)[C@@]1(C)CCC[N@H+]1[C@H](C)CCCC#N ZINC001172496043 974845820 /nfs/dbraw/zinc/84/58/20/974845820.db2.gz JMGNYXWIAWKOBY-DGCLKSJQSA-N 1 1 238.331 2.096 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001172499389 974851715 /nfs/dbraw/zinc/85/17/15/974851715.db2.gz WOPZIDVEJMARCD-VXGBXAGGSA-N 1 1 224.348 2.304 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](C#N)C1 ZINC001172499539 974851949 /nfs/dbraw/zinc/85/19/49/974851949.db2.gz DSDDUJDBXMQMHA-RYUDHWBXSA-N 1 1 205.305 2.304 20 30 BEEDMO CCN(CC)[C@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172500196 974852283 /nfs/dbraw/zinc/85/22/83/974852283.db2.gz KGBHDQJNODBUJH-KGLIPLIRSA-N 1 1 237.391 2.485 20 30 BEEDMO CCN(CC)[C@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172500196 974852285 /nfs/dbraw/zinc/85/22/85/974852285.db2.gz KGBHDQJNODBUJH-KGLIPLIRSA-N 1 1 237.391 2.485 20 30 BEEDMO CCOC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)CCCC#N ZINC001172500395 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213.321 2.130 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000109136917 347282744 /nfs/dbraw/zinc/28/27/44/347282744.db2.gz HFVUMNFYNIJAJL-NSHDSACASA-N 1 1 240.347 2.342 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)CCCC(=O)OC(C)(C)C ZINC000109136917 347282748 /nfs/dbraw/zinc/28/27/48/347282748.db2.gz HFVUMNFYNIJAJL-NSHDSACASA-N 1 1 240.347 2.342 20 30 BEEDMO C=CCC[N@H+](CCOC)Cc1cccnc1 ZINC000191123382 347342688 /nfs/dbraw/zinc/34/26/88/347342688.db2.gz AUQFWRPYOWLOAK-UHFFFAOYSA-N 1 1 220.316 2.106 20 30 BEEDMO CC[N@H+](Cc1cc(C#N)n(C)c1)CC1CC1 ZINC000191357600 347350674 /nfs/dbraw/zinc/35/06/74/347350674.db2.gz GIJOFTGBANTKHA-UHFFFAOYSA-N 1 1 217.316 2.129 20 30 BEEDMO CCCn1ccnc1CCC[N@@H+](C)CCCC#N ZINC000191486558 347353275 /nfs/dbraw/zinc/35/32/75/347353275.db2.gz SRPGGSCZVICVEB-UHFFFAOYSA-N 1 1 248.374 2.461 20 30 BEEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1C#N ZINC000189679745 347308463 /nfs/dbraw/zinc/30/84/63/347308463.db2.gz DBHCWBVKAUMMRD-HNNXBMFYSA-N 1 1 244.338 2.295 20 30 BEEDMO 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C=C(Cl)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289763278 352197270 /nfs/dbraw/zinc/19/72/70/352197270.db2.gz GBBHFFYUKMJDAQ-LLVKDONJSA-N 1 1 225.723 2.191 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289763278 352197273 /nfs/dbraw/zinc/19/72/73/352197273.db2.gz GBBHFFYUKMJDAQ-LLVKDONJSA-N 1 1 225.723 2.191 20 30 BEEDMO Cc1cc(C[N@H+](C)C[C@H](C)CCC#N)no1 ZINC000618887341 352159085 /nfs/dbraw/zinc/15/90/85/352159085.db2.gz VCXHVXQEAXAGBB-SNVBAGLBSA-N 1 1 221.304 2.355 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccccn1 ZINC000618887487 352160910 /nfs/dbraw/zinc/16/09/10/352160910.db2.gz AMEHDPDSIBYWBT-GFCCVEGCSA-N 1 1 217.316 2.453 20 30 BEEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1ccccn1 ZINC000618887989 352162603 /nfs/dbraw/zinc/16/26/03/352162603.db2.gz OBTAWHXVEKCUPH-ZDUSSCGKSA-N 1 1 231.343 2.496 20 30 BEEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NC(CC)CC ZINC000411168144 191165999 /nfs/dbraw/zinc/16/59/99/191165999.db2.gz ZCTIDVALMCWUDR-GFCCVEGCSA-N 1 1 238.375 2.354 20 30 BEEDMO 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ZINC000411740838 191207735 /nfs/dbraw/zinc/20/77/35/191207735.db2.gz YRSYNNRBYSYNRA-OLZOCXBDSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000411725484 191207777 /nfs/dbraw/zinc/20/77/77/191207777.db2.gz FYMRGBHZGRITKD-VHSXEESVSA-N 1 1 232.274 2.240 20 30 BEEDMO C[C@H](O)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411745070 191208587 /nfs/dbraw/zinc/20/85/87/191208587.db2.gz NVRZZLKACAZDAS-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411764437 191208716 /nfs/dbraw/zinc/20/87/16/191208716.db2.gz FRBBXTLLQFFOBX-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO C[N@H+](CCc1cncs1)CC(C)(C)C#N ZINC000411755336 191209767 /nfs/dbraw/zinc/20/97/67/191209767.db2.gz IFRVJNACJNFYRK-UHFFFAOYSA-N 1 1 223.345 2.167 20 30 BEEDMO C[N@@H+](CCc1cncs1)CC(C)(C)C#N ZINC000411755336 191209769 /nfs/dbraw/zinc/20/97/69/191209769.db2.gz IFRVJNACJNFYRK-UHFFFAOYSA-N 1 1 223.345 2.167 20 30 BEEDMO CC(C)[C@H]1C[N@H+]([C@H](C)CCC#N)CCCO1 ZINC000411773446 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C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602428809 369787064 /nfs/dbraw/zinc/78/70/64/369787064.db2.gz KFWHBZUOBIVXNU-NSHDSACASA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602471868 369792786 /nfs/dbraw/zinc/79/27/86/369792786.db2.gz LZDOIKRQBDEWRB-QWRGUYRKSA-N 1 1 215.300 2.184 20 30 BEEDMO CC1(C)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000602752303 369849522 /nfs/dbraw/zinc/84/95/22/369849522.db2.gz RPAOVSUGLKDFHJ-UHFFFAOYSA-N 1 1 206.314 2.462 20 30 BEEDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000602930230 369865705 /nfs/dbraw/zinc/86/57/05/369865705.db2.gz KNTRQUPFTVHVGJ-ZWNOBZJWSA-N 1 1 248.301 2.043 20 30 BEEDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000602930230 369865706 /nfs/dbraw/zinc/86/57/06/369865706.db2.gz KNTRQUPFTVHVGJ-ZWNOBZJWSA-N 1 1 248.301 2.043 20 30 BEEDMO Cc1ccc(CN[C@H]2C[C@H]([NH3+])C2(C)C)cc1C#N ZINC000603428355 369964271 /nfs/dbraw/zinc/96/42/71/369964271.db2.gz ISMMCDKLADSBJG-KBPBESRZSA-N 1 1 243.354 2.082 20 30 BEEDMO CC[N@H+]1CCN(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000110750665 369973509 /nfs/dbraw/zinc/97/35/09/369973509.db2.gz XMQIPACXFZRNSD-NSHDSACASA-N 1 1 247.317 2.228 20 30 BEEDMO CC[N@H+](Cc1ccccc1C#N)[C@H]1CCOC1 ZINC000309983536 370286241 /nfs/dbraw/zinc/28/62/41/370286241.db2.gz PORSJXGTSKBPFD-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO CC[N@@H+](Cc1ccccc1C#N)[C@H]1CCOC1 ZINC000309983536 370286247 /nfs/dbraw/zinc/28/62/47/370286247.db2.gz PORSJXGTSKBPFD-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C#N)cc1 ZINC000311038545 370382133 /nfs/dbraw/zinc/38/21/33/370382133.db2.gz UUYKZHBCETVLHH-NSHDSACASA-N 1 1 240.310 2.143 20 30 BEEDMO C=CCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000077176967 370398154 /nfs/dbraw/zinc/39/81/54/370398154.db2.gz YFAWXCHBMUJSDQ-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO N#Cc1cc(F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000113317591 370400911 /nfs/dbraw/zinc/40/09/11/370400911.db2.gz UMXMNNPAFJQGRL-LBPRGKRZSA-N 1 1 245.301 2.346 20 30 BEEDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000019960173 371211639 /nfs/dbraw/zinc/21/16/39/371211639.db2.gz UPDUSJAISLSJIB-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000019960173 371211642 /nfs/dbraw/zinc/21/16/42/371211642.db2.gz UPDUSJAISLSJIB-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)ccc1C#N ZINC000335775879 371543849 /nfs/dbraw/zinc/54/38/49/371543849.db2.gz DRVUPOPNDDMCMK-WFASDCNBSA-N 1 1 244.338 2.069 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000304226816 371770264 /nfs/dbraw/zinc/77/02/64/371770264.db2.gz PTYRQGQXRFUHQK-QWHCGFSZSA-N 1 1 239.359 2.472 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000304226816 371770269 /nfs/dbraw/zinc/77/02/69/371770269.db2.gz PTYRQGQXRFUHQK-QWHCGFSZSA-N 1 1 239.359 2.472 20 30 BEEDMO CC1(C#N)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000227352487 371842074 /nfs/dbraw/zinc/84/20/74/371842074.db2.gz LVQKTSSUBPRALK-UHFFFAOYSA-N 1 1 240.310 2.079 20 30 BEEDMO C=C(Br)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000305179898 371895202 /nfs/dbraw/zinc/89/52/02/371895202.db2.gz NEXJLUPBRDXPCG-VIFPVBQESA-N 1 1 248.164 2.130 20 30 BEEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000633129018 373298566 /nfs/dbraw/zinc/29/85/66/373298566.db2.gz IRMOSDDFYVUAIC-LBPRGKRZSA-N 1 1 238.375 2.188 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000633306176 373464230 /nfs/dbraw/zinc/46/42/30/373464230.db2.gz HMLCFGSPPJDGPJ-NWDGAFQWSA-N 1 1 238.375 2.045 20 30 BEEDMO C=CCCC(C)(C)CNC(=O)Cn1cc[nH+]c1C ZINC000633966089 373863837 /nfs/dbraw/zinc/86/38/37/373863837.db2.gz DXTYTFJFKZNIPI-UHFFFAOYSA-N 1 1 249.358 2.300 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000042293168 374258855 /nfs/dbraw/zinc/25/88/55/374258855.db2.gz KKJNWWKRNSJAFU-LSDHHAIUSA-N 1 1 242.322 2.312 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000042293168 374258858 /nfs/dbraw/zinc/25/88/58/374258858.db2.gz KKJNWWKRNSJAFU-LSDHHAIUSA-N 1 1 242.322 2.312 20 30 BEEDMO CCOCC[N@@H+](CC)Cc1ccc(C#N)o1 ZINC000092537726 170396648 /nfs/dbraw/zinc/39/66/48/170396648.db2.gz RKVAJOGTOVGAPR-UHFFFAOYSA-N 1 1 222.288 2.010 20 30 BEEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncccc1C#N ZINC000357777053 169129797 /nfs/dbraw/zinc/12/97/97/169129797.db2.gz YAPQENXQDWYTEN-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191227644 169172631 /nfs/dbraw/zinc/17/26/31/169172631.db2.gz QWSXCGNUFLATTR-UHFFFAOYSA-N 1 1 217.316 2.271 20 30 BEEDMO C=C(C)CN(C)CCC[N@H+](C)CC(=C)C ZINC000181312607 134335519 /nfs/dbraw/zinc/33/55/19/134335519.db2.gz GEKDHDGGYKYTPO-UHFFFAOYSA-N 1 1 210.365 2.392 20 30 BEEDMO C=C(C)CN(C)CCC[N@@H+](C)CC(=C)C ZINC000181312607 134335520 /nfs/dbraw/zinc/33/55/20/134335520.db2.gz GEKDHDGGYKYTPO-UHFFFAOYSA-N 1 1 210.365 2.392 20 30 BEEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000181329556 134335935 /nfs/dbraw/zinc/33/59/35/134335935.db2.gz IUYAPSVXLOWESA-UHFFFAOYSA-N 1 1 249.339 2.066 20 30 BEEDMO C=C(C)C[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000181329556 134335936 /nfs/dbraw/zinc/33/59/36/134335936.db2.gz IUYAPSVXLOWESA-UHFFFAOYSA-N 1 1 249.339 2.066 20 30 BEEDMO CCOCC[N@@H+](C)CC(C)(C)CCC#N ZINC000181492869 134337055 /nfs/dbraw/zinc/33/70/55/134337055.db2.gz FIHNAUDXUBVXEE-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC001644391968 1172553607 /nfs/dbraw/zinc/55/36/07/1172553607.db2.gz KTACGVFKBVWRGN-LBPRGKRZSA-N 1 1 244.338 2.019 20 30 BEEDMO CO[C@@H](C)C[N@@H+](CCC#N)CCC(C)C ZINC000182210766 134343199 /nfs/dbraw/zinc/34/31/99/134343199.db2.gz NTQFLIIMDOBGHJ-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO C=CC[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000184824158 134369203 /nfs/dbraw/zinc/36/92/03/134369203.db2.gz KIWVLVMDCWTNIX-LLVKDONJSA-N 1 1 209.289 2.305 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC001644997115 1172626290 /nfs/dbraw/zinc/62/62/90/1172626290.db2.gz WBAYMYMLLIGYEH-AVGNSLFASA-N 1 1 209.333 2.024 20 30 BEEDMO C[N@@H+](CCNc1ccc(C#N)cc1F)C1CC1 ZINC000062010318 383847660 /nfs/dbraw/zinc/84/76/60/383847660.db2.gz FAYOZRYCGWGMNW-UHFFFAOYSA-N 1 1 233.290 2.203 20 30 BEEDMO C[N@@H+](CCc1ccccn1)CCC(C)(C)C#N ZINC000087595111 383850737 /nfs/dbraw/zinc/85/07/37/383850737.db2.gz SFFCOEGBNSPNNM-UHFFFAOYSA-N 1 1 231.343 2.496 20 30 BEEDMO CC#CC[N@@H+](C)CC[C@@H](O)c1ccccc1 ZINC000298355551 383851321 /nfs/dbraw/zinc/85/13/21/383851321.db2.gz MSLPXHHRSVBADB-CQSZACIVSA-N 1 1 217.312 2.065 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000336164858 383935050 /nfs/dbraw/zinc/93/50/50/383935050.db2.gz RPCOJVJCVIMCKS-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO COc1ccccc1C[C@@H](C)[N@H+](C)CCC#N ZINC000088194802 383885353 /nfs/dbraw/zinc/88/53/53/383885353.db2.gz BTMXQQPGEURRIV-GFCCVEGCSA-N 1 1 232.327 2.472 20 30 BEEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC#N ZINC000088194802 383885358 /nfs/dbraw/zinc/88/53/58/383885358.db2.gz BTMXQQPGEURRIV-GFCCVEGCSA-N 1 1 232.327 2.472 20 30 BEEDMO C=CCCCC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000560220494 383979531 /nfs/dbraw/zinc/97/95/31/383979531.db2.gz WUWGLADFQKFCKC-NWDGAFQWSA-N 1 1 247.404 2.096 20 30 BEEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCCCC1 ZINC000298763161 383986493 /nfs/dbraw/zinc/98/64/93/383986493.db2.gz VJKBTSDGPLJOKL-CYBMUJFWSA-N 1 1 236.359 2.061 20 30 BEEDMO CC(C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335071371 384018502 /nfs/dbraw/zinc/01/85/02/384018502.db2.gz BGNYVCRZAMUOSV-AWEZNQCLSA-N 1 1 230.311 2.340 20 30 BEEDMO CC(C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000335071371 384018508 /nfs/dbraw/zinc/01/85/08/384018508.db2.gz BGNYVCRZAMUOSV-AWEZNQCLSA-N 1 1 230.311 2.340 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000054181944 134387706 /nfs/dbraw/zinc/38/77/06/134387706.db2.gz RAYQZYMDLREBIO-NSHDSACASA-N 1 1 234.299 2.183 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000560265033 384029742 /nfs/dbraw/zinc/02/97/42/384029742.db2.gz BKRISPYRJGJGBU-QWHCGFSZSA-N 1 1 211.349 2.436 20 30 BEEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000038087452 384057060 /nfs/dbraw/zinc/05/70/60/384057060.db2.gz GFGLFDKAIIDIII-NEPJUHHUSA-N 1 1 231.343 2.159 20 30 BEEDMO CCCC[N@@H+](CCCO)Cc1ccc(C#N)o1 ZINC000289525558 384134492 /nfs/dbraw/zinc/13/44/92/384134492.db2.gz VRSKSJMWUWWSFJ-UHFFFAOYSA-N 1 1 236.315 2.136 20 30 BEEDMO C#CC[N@H+](CC)C[C@H](O)c1ccccc1Cl ZINC000299177469 384122531 /nfs/dbraw/zinc/12/25/31/384122531.db2.gz YZMNUCOBBMKPDR-ZDUSSCGKSA-N 1 1 237.730 2.329 20 30 BEEDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000156428432 384127971 /nfs/dbraw/zinc/12/79/71/384127971.db2.gz XDGPUIXMGVVRJM-NEPJUHHUSA-N 1 1 230.311 2.167 20 30 BEEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000156428432 384127979 /nfs/dbraw/zinc/12/79/79/384127979.db2.gz XDGPUIXMGVVRJM-NEPJUHHUSA-N 1 1 230.311 2.167 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCOC(C)(C)C1 ZINC000091917997 384155358 /nfs/dbraw/zinc/15/53/58/384155358.db2.gz SPONSTDCQQNYQC-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000070074541 384231145 /nfs/dbraw/zinc/23/11/45/384231145.db2.gz UWIAXGLPDNVAJN-IUODEOHRSA-N 1 1 243.354 2.117 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374370301 384234139 /nfs/dbraw/zinc/23/41/39/384234139.db2.gz WWHFKDBXDCLLPY-CQSZACIVSA-N 1 1 236.359 2.429 20 30 BEEDMO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CC#N)c1 ZINC000093091013 384210938 /nfs/dbraw/zinc/21/09/38/384210938.db2.gz LFMJKOQDHCFSEU-LLVKDONJSA-N 1 1 218.300 2.435 20 30 BEEDMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)CC#N)c1 ZINC000093091013 384210946 /nfs/dbraw/zinc/21/09/46/384210946.db2.gz LFMJKOQDHCFSEU-LLVKDONJSA-N 1 1 218.300 2.435 20 30 BEEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000336417195 384224747 /nfs/dbraw/zinc/22/47/47/384224747.db2.gz PAWPQVPOLWZAHG-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO C=CCOc1cccc(C[N@@H+](CC)CCO)c1 ZINC000158657183 384266531 /nfs/dbraw/zinc/26/65/31/384266531.db2.gz DNKOFRXOYNTTQS-UHFFFAOYSA-N 1 1 235.327 2.066 20 30 BEEDMO C[N@H+]1CCC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000135691330 384275763 /nfs/dbraw/zinc/27/57/63/384275763.db2.gz WPDYRNGBTXHEAH-LLVKDONJSA-N 1 1 249.383 2.051 20 30 BEEDMO CN1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691330 384275781 /nfs/dbraw/zinc/27/57/81/384275781.db2.gz WPDYRNGBTXHEAH-LLVKDONJSA-N 1 1 249.383 2.051 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404124572 384299155 /nfs/dbraw/zinc/29/91/55/384299155.db2.gz PTZQSZIZSNSFIG-GFCCVEGCSA-N 1 1 231.274 2.479 20 30 BEEDMO C=CCC[N@H+]1CCNCC12CCCCC2 ZINC000083878099 384338827 /nfs/dbraw/zinc/33/88/27/384338827.db2.gz LDWONQBPYNQBHB-UHFFFAOYSA-N 1 1 208.349 2.171 20 30 BEEDMO C#CC[NH+](CC#C)C[C@H]1CCC2(CCCC2)O1 ZINC000490742213 384374500 /nfs/dbraw/zinc/37/45/00/384374500.db2.gz XYNOCUAIANPWGM-CQSZACIVSA-N 1 1 231.339 2.047 20 30 BEEDMO C=C(C)C[N@H+](CC(=O)OCC)C1CCCC1 ZINC000083244006 384367066 /nfs/dbraw/zinc/36/70/66/384367066.db2.gz BMZTWBNWABILRU-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO Cc1nc(C)c(C[NH2+]C[C@H](C)C#N)s1 ZINC000084148973 384369742 /nfs/dbraw/zinc/36/97/42/384369742.db2.gz PHVGAGAGTPRQQF-SSDOTTSWSA-N 1 1 209.318 2.009 20 30 BEEDMO C#CC[N@@H+](CC)CC(=O)N[C@H](C)CCCCC ZINC000490740187 384369714 /nfs/dbraw/zinc/36/97/14/384369714.db2.gz IZYQPRBMVMBUPO-CYBMUJFWSA-N 1 1 238.375 2.027 20 30 BEEDMO C#CC[N@H+](CC)CC(=O)N[C@H](C)CCCCC ZINC000490740187 384369722 /nfs/dbraw/zinc/36/97/22/384369722.db2.gz IZYQPRBMVMBUPO-CYBMUJFWSA-N 1 1 238.375 2.027 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCC[C@H]1O ZINC000248906645 384416942 /nfs/dbraw/zinc/41/69/42/384416942.db2.gz WQJAMEAYNNJBNB-HZPDHXFCSA-N 1 1 243.350 2.131 20 30 BEEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC000285232378 384423606 /nfs/dbraw/zinc/42/36/06/384423606.db2.gz BENJRYUZZCZWOE-OKILXGFUSA-N 1 1 230.311 2.167 20 30 BEEDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362936039 384376342 /nfs/dbraw/zinc/37/63/42/384376342.db2.gz SPWHYJJJLWNUIN-GFCCVEGCSA-N 1 1 232.327 2.333 20 30 BEEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335848437 384382126 /nfs/dbraw/zinc/38/21/26/384382126.db2.gz UJQMQTSIQFGOTB-GFCCVEGCSA-N 1 1 217.316 2.271 20 30 BEEDMO CC#CC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159585622 384436732 /nfs/dbraw/zinc/43/67/32/384436732.db2.gz NKZNGAPNDUOQMQ-AWEZNQCLSA-N 1 1 233.311 2.284 20 30 BEEDMO CC#CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159585622 384436737 /nfs/dbraw/zinc/43/67/37/384436737.db2.gz NKZNGAPNDUOQMQ-AWEZNQCLSA-N 1 1 233.311 2.284 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000490865940 384443150 /nfs/dbraw/zinc/44/31/50/384443150.db2.gz KHEKWZNKTPKOIO-UHFFFAOYSA-N 1 1 228.295 2.022 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(C#N)ccc1OC ZINC000490865940 384443154 /nfs/dbraw/zinc/44/31/54/384443154.db2.gz KHEKWZNKTPKOIO-UHFFFAOYSA-N 1 1 228.295 2.022 20 30 BEEDMO N#Cc1cccc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000344909776 384481757 /nfs/dbraw/zinc/48/17/57/384481757.db2.gz UAVDLVAYYRWYPA-UHFFFAOYSA-N 1 1 241.269 2.382 20 30 BEEDMO C[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000249017591 384458737 /nfs/dbraw/zinc/45/87/37/384458737.db2.gz KHKBCXOTKWQMGY-NWDGAFQWSA-N 1 1 237.372 2.257 20 30 BEEDMO C[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000249017591 384458741 /nfs/dbraw/zinc/45/87/41/384458741.db2.gz KHKBCXOTKWQMGY-NWDGAFQWSA-N 1 1 237.372 2.257 20 30 BEEDMO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000249017593 384458797 /nfs/dbraw/zinc/45/87/97/384458797.db2.gz KHKBCXOTKWQMGY-VXGBXAGGSA-N 1 1 237.372 2.257 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000249017593 384458801 /nfs/dbraw/zinc/45/88/01/384458801.db2.gz KHKBCXOTKWQMGY-VXGBXAGGSA-N 1 1 237.372 2.257 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CC ZINC000249402458 384506521 /nfs/dbraw/zinc/50/65/21/384506521.db2.gz CLJVWXDWHYEZCM-AVGNSLFASA-N 1 1 211.349 2.434 20 30 BEEDMO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000289870065 384506815 /nfs/dbraw/zinc/50/68/15/384506815.db2.gz LTIPWMSOWFKDOI-NSHDSACASA-N 1 1 240.310 2.441 20 30 BEEDMO C=CCCCCC[N@H+](C)CC(=O)NCC1CC1 ZINC000150901144 384522512 /nfs/dbraw/zinc/52/25/12/384522512.db2.gz LZGARUVKBNOASG-UHFFFAOYSA-N 1 1 238.375 2.191 20 30 BEEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000049237706 384524014 /nfs/dbraw/zinc/52/40/14/384524014.db2.gz ZRWSOSWMPZKIIO-QMMMGPOBSA-N 1 1 242.348 2.247 20 30 BEEDMO C=CCC[NH2+][C@@H](C(=O)OCC)[C@H](C)CC ZINC000183592706 384546377 /nfs/dbraw/zinc/54/63/77/384546377.db2.gz YWEYZZUXLNZTPD-GHMZBOCLSA-N 1 1 213.321 2.130 20 30 BEEDMO COCc1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000083969544 384558912 /nfs/dbraw/zinc/55/89/12/384558912.db2.gz TUHLPJSRNCLFOF-LLVKDONJSA-N 1 1 218.300 2.082 20 30 BEEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000076735387 384560726 /nfs/dbraw/zinc/56/07/26/384560726.db2.gz VVZGQIHMUIDILV-CYBMUJFWSA-N 1 1 238.375 2.143 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000151352488 384567779 /nfs/dbraw/zinc/56/77/79/384567779.db2.gz RBAHVJUOJIJXFH-VXGBXAGGSA-N 1 1 211.349 2.434 20 30 BEEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000565159986 384615907 /nfs/dbraw/zinc/61/59/07/384615907.db2.gz ARUUWVNMDHJEON-UHFFFAOYSA-N 1 1 249.383 2.146 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C#N ZINC000556958004 384687379 /nfs/dbraw/zinc/68/73/79/384687379.db2.gz BFPLPDOHHAEZOU-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO C#C[C@H](C)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368051251 384713881 /nfs/dbraw/zinc/71/38/81/384713881.db2.gz LHXUDOQJYHVWJY-SQWLQELKSA-N 1 1 242.366 2.433 20 30 BEEDMO C#C[C@H](C)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368051251 384713889 /nfs/dbraw/zinc/71/38/89/384713889.db2.gz LHXUDOQJYHVWJY-SQWLQELKSA-N 1 1 242.366 2.433 20 30 BEEDMO CC[N@H+](CCOC(C)(C)C)C[C@H](C)C#N ZINC000068333525 384732996 /nfs/dbraw/zinc/73/29/96/384732996.db2.gz GERORURDKWJNGV-LLVKDONJSA-N 1 1 212.337 2.283 20 30 BEEDMO CC[N@@H+](CCOC(C)(C)C)C[C@H](C)C#N ZINC000068333525 384733003 /nfs/dbraw/zinc/73/30/03/384733003.db2.gz GERORURDKWJNGV-LLVKDONJSA-N 1 1 212.337 2.283 20 30 BEEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000335990368 384746745 /nfs/dbraw/zinc/74/67/45/384746745.db2.gz KSPBKBCYHCOFTL-UHFFFAOYSA-N 1 1 244.338 2.363 20 30 BEEDMO C=CCCCC[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000518156666 384748294 /nfs/dbraw/zinc/74/82/94/384748294.db2.gz LZJZZLFJFADUGT-OLZOCXBDSA-N 1 1 211.349 2.293 20 30 BEEDMO N#Cc1csc(C[NH2+]Cc2ccccc2)n1 ZINC000307701868 384760766 /nfs/dbraw/zinc/76/07/66/384760766.db2.gz SPZWRPGFDLUKQD-UHFFFAOYSA-N 1 1 229.308 2.305 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000491815816 384835483 /nfs/dbraw/zinc/83/54/83/384835483.db2.gz MADNFCCTDVEKSZ-JTQLQIEISA-N 1 1 249.285 2.146 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000491815816 384835488 /nfs/dbraw/zinc/83/54/88/384835488.db2.gz MADNFCCTDVEKSZ-JTQLQIEISA-N 1 1 249.285 2.146 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](CCO)C1 ZINC000083640394 384800835 /nfs/dbraw/zinc/80/08/35/384800835.db2.gz QYGFGFGOWKVEEK-GFCCVEGCSA-N 1 1 224.348 2.021 20 30 BEEDMO C#CC[NH+]1CCC(c2nc(CCC=C)no2)CC1 ZINC000297407711 384806412 /nfs/dbraw/zinc/80/64/12/384806412.db2.gz SZKOGGJCNURQFU-UHFFFAOYSA-N 1 1 245.326 2.001 20 30 BEEDMO CC#CCC[N@@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190663380 384809254 /nfs/dbraw/zinc/80/92/54/384809254.db2.gz PKJZWBNOQRMIEX-CYBMUJFWSA-N 1 1 237.343 2.206 20 30 BEEDMO CC#CCC[N@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190663380 384809266 /nfs/dbraw/zinc/80/92/66/384809266.db2.gz PKJZWBNOQRMIEX-CYBMUJFWSA-N 1 1 237.343 2.206 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000105605779 384876029 /nfs/dbraw/zinc/87/60/29/384876029.db2.gz KYQKPNDQZQUHBU-UHFFFAOYSA-N 1 1 237.259 2.184 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000105605280 384876903 /nfs/dbraw/zinc/87/69/03/384876903.db2.gz AYRVIJYIWQDDPA-UHFFFAOYSA-N 1 1 237.259 2.184 20 30 BEEDMO CCCC(N)=[NH+]OCc1csc(CC)n1 ZINC000105606064 384877111 /nfs/dbraw/zinc/87/71/11/384877111.db2.gz VZYMMAMVRDYMJW-UHFFFAOYSA-N 1 1 227.333 2.294 20 30 BEEDMO C=CCCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177152591 384888265 /nfs/dbraw/zinc/88/82/65/384888265.db2.gz LFRRNPLZHLBOBG-RYUDHWBXSA-N 1 1 236.359 2.084 20 30 BEEDMO COC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179371855 384860319 /nfs/dbraw/zinc/86/03/19/384860319.db2.gz IHRQOCSMVGBTQS-VIFPVBQESA-N 1 1 224.329 2.086 20 30 BEEDMO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000193342189 384950485 /nfs/dbraw/zinc/95/04/85/384950485.db2.gz FXAXPNMKYNDFFG-ZDUSSCGKSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000193343737 384950592 /nfs/dbraw/zinc/95/05/92/384950592.db2.gz LVKCRVIDGRWCQA-ZDUSSCGKSA-N 1 1 238.375 2.191 20 30 BEEDMO C#CC[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192466176 384920050 /nfs/dbraw/zinc/92/00/50/384920050.db2.gz LZZXLYRWOOQQIY-UHFFFAOYSA-N 1 1 245.297 2.354 20 30 BEEDMO C=C(Cl)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000156872507 384971868 /nfs/dbraw/zinc/97/18/68/384971868.db2.gz MUHWYERWGDCYIL-UHFFFAOYSA-N 1 1 233.739 2.403 20 30 BEEDMO C=C(Cl)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000156872507 384971875 /nfs/dbraw/zinc/97/18/75/384971875.db2.gz MUHWYERWGDCYIL-UHFFFAOYSA-N 1 1 233.739 2.403 20 30 BEEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC2(CCC2)C1 ZINC000156806698 384976113 /nfs/dbraw/zinc/97/61/13/384976113.db2.gz XPXGBMSGGQTZQV-LBPRGKRZSA-N 1 1 217.316 2.306 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000193567393 384986575 /nfs/dbraw/zinc/98/65/75/384986575.db2.gz YUBPFISSJPNNIZ-OLZOCXBDSA-N 1 1 238.375 2.319 20 30 BEEDMO CC#CCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000156824313 384987251 /nfs/dbraw/zinc/98/72/51/384987251.db2.gz ZONJCHOUGCKEIL-CYBMUJFWSA-N 1 1 231.343 2.143 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336236034 384991484 /nfs/dbraw/zinc/99/14/84/384991484.db2.gz JHNDNMYWQUUFSY-LBPRGKRZSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CC[N@H+](C)CCN(C)c1ccccc1 ZINC000107683418 384993117 /nfs/dbraw/zinc/99/31/17/384993117.db2.gz XPKYAKOBUMAYSQ-UHFFFAOYSA-N 1 1 204.317 2.241 20 30 BEEDMO C[C@@H](CNCc1cc(C#N)cs1)[N@H+](C)C1CC1 ZINC000177697130 385081891 /nfs/dbraw/zinc/08/18/91/385081891.db2.gz YBVOCNGAKMYFKT-JTQLQIEISA-N 1 1 249.383 2.192 20 30 BEEDMO C[C@@H](CNCc1cc(C#N)cs1)[N@@H+](C)C1CC1 ZINC000177697130 385081898 /nfs/dbraw/zinc/08/18/98/385081898.db2.gz YBVOCNGAKMYFKT-JTQLQIEISA-N 1 1 249.383 2.192 20 30 BEEDMO CCOC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000157247591 385123306 /nfs/dbraw/zinc/12/33/06/385123306.db2.gz JSJBRFVYEYTXFW-UHFFFAOYSA-N 1 1 240.347 2.201 20 30 BEEDMO C#CC[N@H+](CCC[C@H](C)O)Cc1ccccc1 ZINC000491210151 385134100 /nfs/dbraw/zinc/13/41/00/385134100.db2.gz QNRXXCWAIPSUBL-AWEZNQCLSA-N 1 1 231.339 2.283 20 30 BEEDMO CC#CC[N@@H+](C)CCOc1ccccc1 ZINC000157358661 385137269 /nfs/dbraw/zinc/13/72/69/385137269.db2.gz GOVMJIOLGYGCIG-UHFFFAOYSA-N 1 1 203.285 2.021 20 30 BEEDMO CCCc1[nH+]ccn1C[C@@H](C#N)CCC#N ZINC000151901273 385138594 /nfs/dbraw/zinc/13/85/94/385138594.db2.gz ODYKOYGEBYULCA-LLVKDONJSA-N 1 1 216.288 2.279 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000559638217 385089860 /nfs/dbraw/zinc/08/98/60/385089860.db2.gz CVTMEBMQRBRYJP-CABCVRRESA-N 1 1 246.354 2.198 20 30 BEEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000177736117 385092309 /nfs/dbraw/zinc/09/23/09/385092309.db2.gz SDVIYJDKGGGNSN-CYBMUJFWSA-N 1 1 238.375 2.284 20 30 BEEDMO CO[C@H]1CC[N@@H+](CCCCC#N)[C@@H](C)C1 ZINC000308773124 385095626 /nfs/dbraw/zinc/09/56/26/385095626.db2.gz YFFDIEAWGVAITG-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000336254961 385103429 /nfs/dbraw/zinc/10/34/29/385103429.db2.gz KKQFLRUWMZTMSA-IUODEOHRSA-N 1 1 244.338 2.098 20 30 BEEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000157424714 385172532 /nfs/dbraw/zinc/17/25/32/385172532.db2.gz SPWWCQVYTFLWPB-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1C(=O)OCC ZINC000157424714 385172536 /nfs/dbraw/zinc/17/25/36/385172536.db2.gz SPWWCQVYTFLWPB-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCOC1 ZINC000178339764 385229751 /nfs/dbraw/zinc/22/97/51/385229751.db2.gz XGNZROWATPPNJX-GFCCVEGCSA-N 1 1 224.348 2.285 20 30 BEEDMO C#C[C@H](NC1CC[NH+](C(C)(C)C)CC1)C(C)C ZINC000491634272 385266555 /nfs/dbraw/zinc/26/65/55/385266555.db2.gz JNSQITGCZFEFBQ-AWEZNQCLSA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)C(C)C ZINC000491634272 385266564 /nfs/dbraw/zinc/26/65/64/385266564.db2.gz JNSQITGCZFEFBQ-AWEZNQCLSA-N 1 1 236.403 2.497 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644732060 385272218 /nfs/dbraw/zinc/27/22/18/385272218.db2.gz IBVIDPHLHXMPDR-KGLIPLIRSA-N 1 1 222.376 2.369 20 30 BEEDMO CCCO[NH+]=C(N)CCc1ccccc1 ZINC000154519702 385335164 /nfs/dbraw/zinc/33/51/64/385335164.db2.gz MPRCROUMEQINAF-UHFFFAOYSA-N 1 1 206.289 2.318 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(CC)cn1 ZINC000491647025 385346623 /nfs/dbraw/zinc/34/66/23/385346623.db2.gz VZRMSWKZEOEEKE-UHFFFAOYSA-N 1 1 216.328 2.488 20 30 BEEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccon1 ZINC000309024320 385367274 /nfs/dbraw/zinc/36/72/74/385367274.db2.gz YZUGBEAHIOXBEP-AEJSXWLSSA-N 1 1 205.261 2.017 20 30 BEEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)Cc1ccccc1 ZINC000193501034 385398627 /nfs/dbraw/zinc/39/86/27/385398627.db2.gz JAHHWQIJRNMSEW-DZGCQCFKSA-N 1 1 246.354 2.072 20 30 BEEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)Cc1ccccc1 ZINC000193501034 385398632 /nfs/dbraw/zinc/39/86/32/385398632.db2.gz JAHHWQIJRNMSEW-DZGCQCFKSA-N 1 1 246.354 2.072 20 30 BEEDMO C[NH+](C)CC1(NCc2cc(C#N)cs2)CCC1 ZINC000341516327 385445001 /nfs/dbraw/zinc/44/50/01/385445001.db2.gz WIUAXXVGVVVWPO-UHFFFAOYSA-N 1 1 249.383 2.194 20 30 BEEDMO CO[C@H](C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000182184887 385434607 /nfs/dbraw/zinc/43/46/07/385434607.db2.gz KSSKQTDXADQWSF-LLVKDONJSA-N 1 1 212.337 2.283 20 30 BEEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1cnccc1C#N ZINC000290793778 385506965 /nfs/dbraw/zinc/50/69/65/385506965.db2.gz XUGGYQLEADUYJW-LLVKDONJSA-N 1 1 232.331 2.094 20 30 BEEDMO C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592146624 385568198 /nfs/dbraw/zinc/56/81/98/385568198.db2.gz JQXARMIUVZRQEP-RISCZKNCSA-N 1 1 248.301 2.237 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596431 385622791 /nfs/dbraw/zinc/62/27/91/385622791.db2.gz QHLOKWSFIMRZGE-GHMZBOCLSA-N 1 1 212.337 2.017 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000451076294 385645722 /nfs/dbraw/zinc/64/57/22/385645722.db2.gz GPGLTJGIEHPFDL-UKRRQHHQSA-N 1 1 231.339 2.106 20 30 BEEDMO N#CCCCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309585430 385717859 /nfs/dbraw/zinc/71/78/59/385717859.db2.gz SABYWSRFSFNTSB-LLVKDONJSA-N 1 1 218.304 2.071 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000265999540 533140036 /nfs/dbraw/zinc/14/00/36/533140036.db2.gz NBYVDFRNXGBNIX-HNNXBMFYSA-N 1 1 231.339 2.139 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491730902 385709194 /nfs/dbraw/zinc/70/91/94/385709194.db2.gz AABOGBOLFLKTTM-UKRRQHHQSA-N 1 1 231.339 2.106 20 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CC[N@H+](C[C@H](C)C#N)[C@H]1CC[C@@H](C#N)C1 ZINC000408384468 385801233 /nfs/dbraw/zinc/80/12/33/385801233.db2.gz ZMSOUKPVBPJMIM-UTUOFQBUSA-N 1 1 205.305 2.160 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CC[C@@H](C#N)C1 ZINC000408384468 385801236 /nfs/dbraw/zinc/80/12/36/385801236.db2.gz ZMSOUKPVBPJMIM-UTUOFQBUSA-N 1 1 205.305 2.160 20 30 BEEDMO CC[C@@]1(C)COCC[N@H+]1C[C@@H](C)CCC#N ZINC000602614711 385809994 /nfs/dbraw/zinc/80/99/94/385809994.db2.gz GKTWHVGQLAGFNQ-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000602687037 385813579 /nfs/dbraw/zinc/81/35/79/385813579.db2.gz HIJXLICYXFKNBJ-UPJWGTAASA-N 1 1 222.332 2.037 20 30 BEEDMO CC(C)N1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000602772961 385819992 /nfs/dbraw/zinc/81/99/92/385819992.db2.gz WUEJWZGXXIZERW-UHFFFAOYSA-N 1 1 249.402 2.485 20 30 BEEDMO CC(C)N1CCC([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000602772961 385819998 /nfs/dbraw/zinc/81/99/98/385819998.db2.gz WUEJWZGXXIZERW-UHFFFAOYSA-N 1 1 249.402 2.485 20 30 BEEDMO C[C@H]([N@H+](C)Cc1ncc(C#N)cn1)C(C)(C)C ZINC000572381865 385830228 /nfs/dbraw/zinc/83/02/28/385830228.db2.gz OFXGANNJEUKQTM-JTQLQIEISA-N 1 1 232.331 2.215 20 30 BEEDMO C[C@H]([N@@H+](C)Cc1ncc(C#N)cn1)C(C)(C)C ZINC000572381865 385830232 /nfs/dbraw/zinc/83/02/32/385830232.db2.gz OFXGANNJEUKQTM-JTQLQIEISA-N 1 1 232.331 2.215 20 30 BEEDMO C=C(C)COCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000336740069 385788986 /nfs/dbraw/zinc/78/89/86/385788986.db2.gz LYJPXUMCWZPPBL-NSHDSACASA-N 1 1 224.304 2.226 20 30 BEEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000451563107 385902464 /nfs/dbraw/zinc/90/24/64/385902464.db2.gz JPRMXQKNIUGNAY-GDBMZVCRSA-N 1 1 243.350 2.395 20 30 BEEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000230946451 385902685 /nfs/dbraw/zinc/90/26/85/385902685.db2.gz FKTRZEFCNCMRSH-HUUCEWRRSA-N 1 1 244.338 2.294 20 30 BEEDMO C[C@H](Nc1cccc(C#N)n1)C1=CC[N@@H+](C)CC1 ZINC000541900467 385866756 /nfs/dbraw/zinc/86/67/56/385866756.db2.gz BIFDTPYPLWEZIH-NSHDSACASA-N 1 1 242.326 2.016 20 30 BEEDMO C[C@@H](Nc1cccc(C#N)n1)C1=CC[N@@H+](C)CC1 ZINC000541900466 385871414 /nfs/dbraw/zinc/87/14/14/385871414.db2.gz BIFDTPYPLWEZIH-LLVKDONJSA-N 1 1 242.326 2.016 20 30 BEEDMO C=CC[N@@H+](CCO)Cc1ccc(Cl)s1 ZINC000124062792 385983766 /nfs/dbraw/zinc/98/37/66/385983766.db2.gz AKJBVQAYVZYLBF-UHFFFAOYSA-N 1 1 231.748 2.382 20 30 BEEDMO C=CC[N@H+](CCO)Cc1ccc(Cl)s1 ZINC000124062792 385983770 /nfs/dbraw/zinc/98/37/70/385983770.db2.gz AKJBVQAYVZYLBF-UHFFFAOYSA-N 1 1 231.748 2.382 20 30 BEEDMO COCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000397238073 385947802 /nfs/dbraw/zinc/94/78/02/385947802.db2.gz ZADXDRPETJBMGB-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO COCCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000397238071 385947851 /nfs/dbraw/zinc/94/78/51/385947851.db2.gz ZADXDRPETJBMGB-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO C=CCOc1ccccc1CN[C@H](C)CC[NH3+] ZINC000414881960 386009041 /nfs/dbraw/zinc/00/90/41/386009041.db2.gz LLPMZOIRZQGPNG-GFCCVEGCSA-N 1 1 234.343 2.078 20 30 BEEDMO C[N@@H+](Cc1ccoc1)[C@H]1CC[C@@H](C#N)C1 ZINC000335068291 386012337 /nfs/dbraw/zinc/01/23/37/386012337.db2.gz LSGMOYZRNZUTDS-PWSUYJOCSA-N 1 1 204.273 2.404 20 30 BEEDMO CC(C)[NH+]1CCN([C@H](C)CCCC#N)CC1 ZINC001172490985 974836954 /nfs/dbraw/zinc/83/69/54/974836954.db2.gz BGOIAWQNEHHCQX-CYBMUJFWSA-N 1 1 223.364 2.095 20 30 BEEDMO C=CC[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000334455069 386105617 /nfs/dbraw/zinc/10/56/17/386105617.db2.gz FUTXZQGWDNBFKL-UHFFFAOYSA-N 1 1 236.359 2.039 20 30 BEEDMO C[N@H+](CC(C)(C)C#N)[C@H]1CC[C@H](C#N)C1 ZINC000334460012 386110423 /nfs/dbraw/zinc/11/04/23/386110423.db2.gz UFTPFLLTGCSHPG-QWRGUYRKSA-N 1 1 205.305 2.160 20 30 BEEDMO C[N@@H+](CC(C)(C)C#N)[C@H]1CC[C@H](C#N)C1 ZINC000334460012 386110426 /nfs/dbraw/zinc/11/04/26/386110426.db2.gz UFTPFLLTGCSHPG-QWRGUYRKSA-N 1 1 205.305 2.160 20 30 BEEDMO C=CC[N@H+](C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425431555 386070108 /nfs/dbraw/zinc/07/01/08/386070108.db2.gz IKJDBYIBXITYCP-CQSZACIVSA-N 1 1 247.338 2.451 20 30 BEEDMO C=CC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000334457680 386098010 /nfs/dbraw/zinc/09/80/10/386098010.db2.gz IVZTZGQQYCNQBO-UHFFFAOYSA-N 1 1 246.358 2.012 20 30 BEEDMO C=C(CC)C[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425476176 386149190 /nfs/dbraw/zinc/14/91/90/386149190.db2.gz KRRWNRPDONSTMT-CYBMUJFWSA-N 1 1 210.365 2.225 20 30 BEEDMO C=CCN(CCC[NH3+])Cc1ccc(OC)cc1 ZINC000414683899 386168541 /nfs/dbraw/zinc/16/85/41/386168541.db2.gz CLCBZBDJSJVNOT-UHFFFAOYSA-N 1 1 234.343 2.032 20 30 BEEDMO C=C(C)COCC[NH2+]Cc1csc(CC)n1 ZINC000131386807 386205085 /nfs/dbraw/zinc/20/50/85/386205085.db2.gz FKXRHZFYYBSJAD-UHFFFAOYSA-N 1 1 240.372 2.388 20 30 BEEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](C)[C@@H](C)O1 ZINC000347195169 386261402 /nfs/dbraw/zinc/26/14/02/386261402.db2.gz ZPPBUUHPJKBTHA-GRYCIOLGSA-N 1 1 224.348 2.424 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)CCCc1ccncc1 ZINC000347271801 386313439 /nfs/dbraw/zinc/31/34/39/386313439.db2.gz VFXIRFSGOGNJHJ-GFCCVEGCSA-N 1 1 217.316 2.248 20 30 BEEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC(C)(C)C#N ZINC000347195329 386273457 /nfs/dbraw/zinc/27/34/57/386273457.db2.gz JQQJMUPPIRIJDP-AGIUHOORSA-N 1 1 238.375 2.408 20 30 BEEDMO C=CCC[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000347346963 386341074 /nfs/dbraw/zinc/34/10/74/386341074.db2.gz QOMSWCLZKGDPRK-OLZOCXBDSA-N 1 1 208.349 2.121 20 30 BEEDMO C=CCCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347346963 386341076 /nfs/dbraw/zinc/34/10/76/386341076.db2.gz QOMSWCLZKGDPRK-OLZOCXBDSA-N 1 1 208.349 2.121 20 30 BEEDMO C[C@@]1(F)CC[N@@H+](CCCSCC#N)C1 ZINC000347361814 386366073 /nfs/dbraw/zinc/36/60/73/386366073.db2.gz WEFYZXQEBFRVKN-SNVBAGLBSA-N 1 1 216.325 2.067 20 30 BEEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](CC)CO ZINC000347331711 386330009 /nfs/dbraw/zinc/33/00/09/386330009.db2.gz BGEYQVFEUSQRQT-CQSZACIVSA-N 1 1 219.328 2.446 20 30 BEEDMO CCc1ncc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000414435074 386445707 /nfs/dbraw/zinc/44/57/07/386445707.db2.gz RHQDNCHPLNSDHI-UHFFFAOYSA-N 1 1 244.342 2.165 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)CC[C@H]1CCCCO1 ZINC000347465673 386415080 /nfs/dbraw/zinc/41/50/80/386415080.db2.gz OCSNJOXVWDVNPG-VXGBXAGGSA-N 1 1 210.321 2.180 20 30 BEEDMO CCC(CC)[N@@H+](CCOC)CC1(C#N)CC1 ZINC000347476190 386435020 /nfs/dbraw/zinc/43/50/20/386435020.db2.gz JBXRZSUQNBMMJW-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO CO[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000267713731 386489580 /nfs/dbraw/zinc/48/95/80/386489580.db2.gz XERKEMJCVOZRKN-RISCZKNCSA-N 1 1 230.311 2.340 20 30 BEEDMO C=Cn1cc(C[N@@H+](CC)CC(=C)C)cn1 ZINC000193598180 386563828 /nfs/dbraw/zinc/56/38/28/386563828.db2.gz RSBMNJVYOBWXDY-UHFFFAOYSA-N 1 1 205.305 2.382 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000187639357 386565424 /nfs/dbraw/zinc/56/54/24/386565424.db2.gz DIUYRBIFEPCLGG-CYBMUJFWSA-N 1 1 211.349 2.437 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000328868169 386637456 /nfs/dbraw/zinc/63/74/56/386637456.db2.gz XIBWJNSYCOQODC-QNWJLWSRSA-N 1 1 247.342 2.314 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000520967604 386639187 /nfs/dbraw/zinc/63/91/87/386639187.db2.gz PEGCTJUWCVGQNM-ZDUSSCGKSA-N 1 1 225.332 2.228 20 30 BEEDMO CC1(C#N)CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000335493602 386613140 /nfs/dbraw/zinc/61/31/40/386613140.db2.gz ANNOESSOJJIQHO-ROKHWSDSSA-N 1 1 235.375 2.191 20 30 BEEDMO CC#CC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000124703802 386659192 /nfs/dbraw/zinc/65/91/92/386659192.db2.gz WFNJSWDDLBJJQF-UHFFFAOYSA-N 1 1 231.339 2.283 20 30 BEEDMO C=CCC[N@H+](C)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001645310332 1172652491 /nfs/dbraw/zinc/65/24/91/1172652491.db2.gz ZRTDGPZDELQGER-UONOGXRCSA-N 1 1 239.359 2.223 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)n1C ZINC000425330572 386663165 /nfs/dbraw/zinc/66/31/65/386663165.db2.gz AYMFXCWZTBKCNI-LBPRGKRZSA-N 1 1 248.374 2.027 20 30 BEEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012111 386670529 /nfs/dbraw/zinc/67/05/29/386670529.db2.gz RNJDBPRSMJYGPB-GDBMZVCRSA-N 1 1 245.366 2.324 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cncn1CC ZINC000417786836 386717759 /nfs/dbraw/zinc/71/77/59/386717759.db2.gz GQRPKSXUVNBMEM-UHFFFAOYSA-N 1 1 207.321 2.301 20 30 BEEDMO C=CCC[C@@H](C)[NH2+][C@H](CC1CC1)C(=O)OC ZINC000414489710 386723669 /nfs/dbraw/zinc/72/36/69/386723669.db2.gz NIOBOFYQXCVIFQ-ZYHUDNBSSA-N 1 1 225.332 2.272 20 30 BEEDMO COc1ccc(C[N@@H+](C)C(C)C)cc1C#N ZINC000087833102 386782048 /nfs/dbraw/zinc/78/20/48/386782048.db2.gz OAFFKKJNGAWDLK-UHFFFAOYSA-N 1 1 218.300 2.407 20 30 BEEDMO C=C(CC)C[NH2+][C@H](C)c1nnc(C)s1 ZINC000336670069 386807061 /nfs/dbraw/zinc/80/70/61/386807061.db2.gz YHNQGJYVLGGOHE-MRVPVSSYSA-N 1 1 211.334 2.463 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC000047701578 386812669 /nfs/dbraw/zinc/81/26/69/386812669.db2.gz JDZNGQNREBTNCU-AWEZNQCLSA-N 1 1 230.311 2.027 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC000047701580 386814028 /nfs/dbraw/zinc/81/40/28/386814028.db2.gz JDZNGQNREBTNCU-CQSZACIVSA-N 1 1 230.311 2.027 20 30 BEEDMO CCc1ccc(C[NH2+][C@H](CC)CC#N)cn1 ZINC000336674247 386845173 /nfs/dbraw/zinc/84/51/73/386845173.db2.gz BGJGINWAOFFUOB-CYBMUJFWSA-N 1 1 217.316 2.426 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395492717 386845389 /nfs/dbraw/zinc/84/53/89/386845389.db2.gz ZFJJKSGGIJWZQT-LBPRGKRZSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C1CC[NH+](Cc2cnc(CC)nc2)CC1 ZINC000334879562 386940356 /nfs/dbraw/zinc/94/03/56/386940356.db2.gz BCXIGRCEUKHPIN-UHFFFAOYSA-N 1 1 217.316 2.191 20 30 BEEDMO C[C@@H]([N@@H+](C)Cc1ccc(CC#N)cc1)C(C)(C)O ZINC000398996262 387037773 /nfs/dbraw/zinc/03/77/73/387037773.db2.gz POBPNJDYDCNKIQ-GFCCVEGCSA-N 1 1 246.354 2.344 20 30 BEEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1 ZINC000399021668 387041784 /nfs/dbraw/zinc/04/17/84/387041784.db2.gz FITOMLDVJDPEKH-OAHLLOKOSA-N 1 1 244.338 2.099 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334968307 387050559 /nfs/dbraw/zinc/05/05/59/387050559.db2.gz SLDICAUORMLOOK-GFCCVEGCSA-N 1 1 209.333 2.332 20 30 BEEDMO C#CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976673 387086175 /nfs/dbraw/zinc/08/61/75/387086175.db2.gz WUBJWIGNDXVKML-CQSZACIVSA-N 1 1 245.322 2.006 20 30 BEEDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(C)(C)CCC#N ZINC000425971993 387100299 /nfs/dbraw/zinc/10/02/99/387100299.db2.gz URMQIKKZZYEIEW-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CCC[C@H](CCC)[NH2+]C[C@@H](N)C1CC1 ZINC000423311274 387149190 /nfs/dbraw/zinc/14/91/90/387149190.db2.gz BQFUYMMMZHRHAK-QWHCGFSZSA-N 1 1 210.365 2.448 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000418143509 387166383 /nfs/dbraw/zinc/16/63/83/387166383.db2.gz PVZUDFQGWKZLPO-UHFFFAOYSA-N 1 1 245.282 2.378 20 30 BEEDMO C=CCC[C@@H]([NH2+]CC1(N)CCC1)C1CC1 ZINC000423327953 387169228 /nfs/dbraw/zinc/16/92/28/387169228.db2.gz NKKCJXYHGCBHFD-GFCCVEGCSA-N 1 1 208.349 2.202 20 30 BEEDMO CC#CCC[N@@H+](C)CC1(O)CCCCCC1 ZINC000187355981 387182666 /nfs/dbraw/zinc/18/26/66/387182666.db2.gz KXEMADSUPLGHIG-UHFFFAOYSA-N 1 1 223.360 2.417 20 30 BEEDMO 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176189558 /nfs/dbraw/zinc/18/95/58/176189558.db2.gz CELDOFKMLBFYQG-GFCCVEGCSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCS1 ZINC000135471672 176305252 /nfs/dbraw/zinc/30/52/52/176305252.db2.gz MLVDSTQUINTFQC-LLVKDONJSA-N 1 1 232.352 2.496 20 30 BEEDMO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@H+]1C ZINC000090721810 176377166 /nfs/dbraw/zinc/37/71/66/176377166.db2.gz IEDMVCPJPGMGGU-DOMZBBRYSA-N 1 1 243.354 2.131 20 30 BEEDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCN1C ZINC000090721810 176377168 /nfs/dbraw/zinc/37/71/68/176377168.db2.gz IEDMVCPJPGMGGU-DOMZBBRYSA-N 1 1 243.354 2.131 20 30 BEEDMO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693733 176377812 /nfs/dbraw/zinc/37/78/12/176377812.db2.gz DDOXLMLHTGCNHL-MNOVXSKESA-N 1 1 249.383 2.192 20 30 BEEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCN1C ZINC000135693733 176377815 /nfs/dbraw/zinc/37/78/15/176377815.db2.gz DDOXLMLHTGCNHL-MNOVXSKESA-N 1 1 249.383 2.192 20 30 BEEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 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C[C@H]1C[N@@H+](CCCCC#N)CC(C)(C)O1 ZINC000045691293 177248523 /nfs/dbraw/zinc/24/85/23/177248523.db2.gz DNWLYCCANNAEHR-NSHDSACASA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@H+]1CCOc1ccccc1C#N ZINC000293464155 177253203 /nfs/dbraw/zinc/25/32/03/177253203.db2.gz QKFNIXNMPMCTEF-NWDGAFQWSA-N 1 1 230.311 2.277 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCCO1 ZINC000061918353 177263334 /nfs/dbraw/zinc/26/33/34/177263334.db2.gz UJBVBOGSQTYVQQ-LBPRGKRZSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@H]1OCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000156428668 177398143 /nfs/dbraw/zinc/39/81/43/177398143.db2.gz XDGPUIXMGVVRJM-VXGBXAGGSA-N 1 1 230.311 2.167 20 30 BEEDMO C[C@H]1OCC[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000156428668 177398145 /nfs/dbraw/zinc/39/81/45/177398145.db2.gz XDGPUIXMGVVRJM-VXGBXAGGSA-N 1 1 230.311 2.167 20 30 BEEDMO C[C@H]1OCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC000156329519 177399240 /nfs/dbraw/zinc/39/92/40/177399240.db2.gz UAAYLGMJZMPGJW-VXGBXAGGSA-N 1 1 230.311 2.167 20 30 BEEDMO C[C@H]1OCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1C ZINC000156329519 177399242 /nfs/dbraw/zinc/39/92/42/177399242.db2.gz UAAYLGMJZMPGJW-VXGBXAGGSA-N 1 1 230.311 2.167 20 30 BEEDMO C=C1CC[NH+](Cc2cccc(N(C)C)n2)CC1 ZINC001652452479 1173081987 /nfs/dbraw/zinc/08/19/87/1173081987.db2.gz WJXSSINAWFTDAP-UHFFFAOYSA-N 1 1 231.343 2.300 20 30 BEEDMO Cc1cc(C[N@H+](C)CC(C)(C)O)ccc1C#N ZINC000487889017 225329144 /nfs/dbraw/zinc/32/91/44/225329144.db2.gz ONRMROVLEDAFGF-UHFFFAOYSA-N 1 1 232.327 2.069 20 30 BEEDMO C[C@H]1C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000401504292 226358676 /nfs/dbraw/zinc/35/86/76/226358676.db2.gz QUCOSFSIRLTVOK-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO CC#CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000680885352 487664409 /nfs/dbraw/zinc/66/44/09/487664409.db2.gz RDFRTPGGXFCEEQ-UHFFFAOYSA-N 1 1 229.323 2.206 20 30 BEEDMO CO[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1 ZINC000510093595 229290330 /nfs/dbraw/zinc/29/03/30/229290330.db2.gz IWGBAYFZGURISI-PHIMTYICSA-N 1 1 210.321 2.035 20 30 BEEDMO COc1ccc([C@H]([NH2+]CCC#N)C2CC2)cn1 ZINC000528847504 262977219 /nfs/dbraw/zinc/97/72/19/262977219.db2.gz MNQPVUNAUHUVKN-CYBMUJFWSA-N 1 1 231.299 2.045 20 30 BEEDMO C=CCCn1cc(C[N@H+]2CC[C@H]2C(C)C)nn1 ZINC000667758673 487738799 /nfs/dbraw/zinc/73/87/99/487738799.db2.gz LGOPNZYQGLXYHU-ZDUSSCGKSA-N 1 1 234.347 2.085 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CC[C@H]2C(C)C)nn1 ZINC000667758673 487738806 /nfs/dbraw/zinc/73/88/06/487738806.db2.gz LGOPNZYQGLXYHU-ZDUSSCGKSA-N 1 1 234.347 2.085 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1CCOc2ccccc2C1 ZINC000675489666 487739852 /nfs/dbraw/zinc/73/98/52/487739852.db2.gz GDBNVNGFUSJOTL-CQSZACIVSA-N 1 1 247.338 2.208 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOC1CCCCC1 ZINC000886172932 585111023 /nfs/dbraw/zinc/11/10/23/585111023.db2.gz AEJMJTCOWMUZIM-GFCCVEGCSA-N 1 1 209.333 2.289 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000649604795 487768807 /nfs/dbraw/zinc/76/88/07/487768807.db2.gz XUTMSQGDYHUQLA-CABCVRRESA-N 1 1 246.354 2.198 20 30 BEEDMO 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COCC#CC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000682031787 487879037 /nfs/dbraw/zinc/87/90/37/487879037.db2.gz VPEBIPCTHJIFQK-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO CC[N@@H+](CC#CCOC)Cc1cccs1 ZINC000677132724 487888847 /nfs/dbraw/zinc/88/88/47/487888847.db2.gz ONSPZXWIMZNCFP-UHFFFAOYSA-N 1 1 223.341 2.220 20 30 BEEDMO CC[N@@H+](CC#CCOC)Cc1ccccc1C ZINC000677132726 487888599 /nfs/dbraw/zinc/88/85/99/487888599.db2.gz OTGNDFYGGMIFRJ-UHFFFAOYSA-N 1 1 231.339 2.467 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000677132758 487889659 /nfs/dbraw/zinc/88/96/59/487889659.db2.gz QBILLTKDXKSLPV-OAHLLOKOSA-N 1 1 229.323 2.473 20 30 BEEDMO COCC#CC[N@@H+](C)Cc1ccccc1C ZINC000677132847 487889832 /nfs/dbraw/zinc/88/98/32/487889832.db2.gz UXJRKXOSBUEZAQ-UHFFFAOYSA-N 1 1 217.312 2.077 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000653488238 487914890 /nfs/dbraw/zinc/91/48/90/487914890.db2.gz JGIHTEUZLCXRJS-BETUJISGSA-N 1 1 248.374 2.332 20 30 BEEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)CCC)nn1 ZINC000653491781 487922960 /nfs/dbraw/zinc/92/29/60/487922960.db2.gz ILVRCFLJHUZVID-LBPRGKRZSA-N 1 1 236.363 2.475 20 30 BEEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1C ZINC000569425970 322965742 /nfs/dbraw/zinc/96/57/42/322965742.db2.gz GACVEGNFHNJHJW-UHFFFAOYSA-N 1 1 230.311 2.397 20 30 BEEDMO CC#CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910273 323008559 /nfs/dbraw/zinc/00/85/59/323008559.db2.gz QTOXBAFJXCXBSH-GJZGRUSLSA-N 1 1 245.366 2.496 20 30 BEEDMO C=CC[C@H]1[N@@H+](Cc2nncn2C)CCCC1(C)C ZINC000562543293 323023499 /nfs/dbraw/zinc/02/34/99/323023499.db2.gz OBQKSACMKLYJNM-GFCCVEGCSA-N 1 1 248.374 2.382 20 30 BEEDMO C=CCCCC[N@H+](C)CCc1cnccn1 ZINC000562539218 323023805 /nfs/dbraw/zinc/02/38/05/323023805.db2.gz XXXOZWXMMCBVSU-UHFFFAOYSA-N 1 1 219.332 2.307 20 30 BEEDMO C=CCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC000562699128 323027810 /nfs/dbraw/zinc/02/78/10/323027810.db2.gz NKYGHNGHVUVQMZ-HNNXBMFYSA-N 1 1 229.389 2.186 20 30 BEEDMO C=CCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000562699128 323027811 /nfs/dbraw/zinc/02/78/11/323027811.db2.gz NKYGHNGHVUVQMZ-HNNXBMFYSA-N 1 1 229.389 2.186 20 30 BEEDMO Cc1cnccc1C[NH2+]CC1(C#N)CCC1 ZINC000570382799 323057867 /nfs/dbraw/zinc/05/78/67/323057867.db2.gz JLMKIIAVZXOLFJ-UHFFFAOYSA-N 1 1 215.300 2.174 20 30 BEEDMO N#CCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000066536696 323085757 /nfs/dbraw/zinc/08/57/57/323085757.db2.gz OAEZMEVLTNYVOM-CQSZACIVSA-N 1 1 235.375 2.240 20 30 BEEDMO N#CCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066536696 323085758 /nfs/dbraw/zinc/08/57/58/323085758.db2.gz OAEZMEVLTNYVOM-CQSZACIVSA-N 1 1 235.375 2.240 20 30 BEEDMO C=CCCCCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000365517669 323097595 /nfs/dbraw/zinc/09/75/95/323097595.db2.gz UNAFBHIELDNMTN-CZUORRHYSA-N 1 1 243.416 2.433 20 30 BEEDMO CC[N@H+]1CC[C@@H]([NH+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132529 /nfs/dbraw/zinc/13/25/29/323132529.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 1 1 237.391 2.342 20 30 BEEDMO CCN1CC[C@@H]([N@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132532 /nfs/dbraw/zinc/13/25/32/323132532.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 1 1 237.391 2.342 20 30 BEEDMO CCN1CC[C@@H]([N@@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132533 /nfs/dbraw/zinc/13/25/33/323132533.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 1 1 237.391 2.342 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)CCC ZINC000571188815 323137917 /nfs/dbraw/zinc/13/79/17/323137917.db2.gz IXCGXHCYGLJWAK-UHFFFAOYSA-N 1 1 226.364 2.143 20 30 BEEDMO CC[NH2+]CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000571312804 323141098 /nfs/dbraw/zinc/14/10/98/323141098.db2.gz BYDNMPGOTMESHO-HNNXBMFYSA-N 1 1 243.354 2.135 20 30 BEEDMO C=CCCCCC[N@H+](C)CC[C@@H]1CCNC1=O ZINC000567246359 323335554 /nfs/dbraw/zinc/33/55/54/323335554.db2.gz LALHMMVXECQEON-ZDUSSCGKSA-N 1 1 238.375 2.191 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000677048491 487959383 /nfs/dbraw/zinc/95/93/83/487959383.db2.gz YXTKHSFAHMAMRE-WCQYABFASA-N 1 1 247.342 2.359 20 30 BEEDMO C=CC(C)(C)CCNc1cc(CO)cc(C)[nH+]1 ZINC000528073579 323759761 /nfs/dbraw/zinc/75/97/61/323759761.db2.gz FMWDDPIKUXBQGZ-UHFFFAOYSA-N 1 1 234.343 2.318 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CC)nn1 ZINC000653539646 487961408 /nfs/dbraw/zinc/96/14/08/487961408.db2.gz GUIVMJJNOSRGQQ-ZDUSSCGKSA-N 1 1 234.347 2.229 20 30 BEEDMO C=CC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000121225164 324006449 /nfs/dbraw/zinc/00/64/49/324006449.db2.gz SIXXUQQBKZJNIR-OTTFEQOBSA-N 1 1 238.375 2.188 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000121377143 324009870 /nfs/dbraw/zinc/00/98/70/324009870.db2.gz VCTPAYUFQBKBAA-CYBMUJFWSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000121377143 324009874 /nfs/dbraw/zinc/00/98/74/324009874.db2.gz VCTPAYUFQBKBAA-CYBMUJFWSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CC[N@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121375980 324010081 /nfs/dbraw/zinc/01/00/81/324010081.db2.gz RTRPZKUBZKTDJP-OLZOCXBDSA-N 1 1 238.375 2.284 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC000491737923 324158810 /nfs/dbraw/zinc/15/88/10/324158810.db2.gz HHIRHHUTVNICQS-VIFPVBQESA-N 1 1 209.239 2.418 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC000491737923 324158814 /nfs/dbraw/zinc/15/88/14/324158814.db2.gz HHIRHHUTVNICQS-VIFPVBQESA-N 1 1 209.239 2.418 20 30 BEEDMO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(C#N)c(F)c1 ZINC000539607350 324847629 /nfs/dbraw/zinc/84/76/29/324847629.db2.gz DWNWBNNZUWJRAB-SECBINFHSA-N 1 1 244.273 2.271 20 30 BEEDMO Cc1nnc([C@H](C)[NH+]2CCC(CC#N)CC2)o1 ZINC000541952612 325000765 /nfs/dbraw/zinc/00/07/65/325000765.db2.gz SPHIOIZGUVQQFR-VIFPVBQESA-N 1 1 234.303 2.065 20 30 BEEDMO COc1ccccc1/C=C\C[NH2+]C[C@@H](C)C#N ZINC000543620957 325098571 /nfs/dbraw/zinc/09/85/71/325098571.db2.gz YLCWFRXQVNRWBL-HWPRWLFBSA-N 1 1 230.311 2.458 20 30 BEEDMO CCC[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000132174315 325202758 /nfs/dbraw/zinc/20/27/58/325202758.db2.gz KOXGPJGMPLDXTC-LBPRGKRZSA-N 1 1 242.388 2.134 20 30 BEEDMO 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Cc1cccc(OC[C@H](C)[NH2+]CCC#N)c1 ZINC000566107813 325995677 /nfs/dbraw/zinc/99/56/77/325995677.db2.gz AKTJALRWVUWBAB-LBPRGKRZSA-N 1 1 218.300 2.266 20 30 BEEDMO Cc1cc2cc(C[NH2+]CCC#N)ccc2[nH]1 ZINC000566129281 326000539 /nfs/dbraw/zinc/00/05/39/326000539.db2.gz BRRNKOSVMGWKMP-UHFFFAOYSA-N 1 1 213.284 2.480 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCCC[C@H]1O ZINC000566302224 326031320 /nfs/dbraw/zinc/03/13/20/326031320.db2.gz TZLKYIXBPXQTNY-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC000566686255 326074614 /nfs/dbraw/zinc/07/46/14/326074614.db2.gz GGXBOGMQBLBSLH-BETUJISGSA-N 1 1 227.311 2.041 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153678473 326106918 /nfs/dbraw/zinc/10/69/18/326106918.db2.gz MUAWXIRESOYMCT-HNNXBMFYSA-N 1 1 242.322 2.171 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000567190423 326132936 /nfs/dbraw/zinc/13/29/36/326132936.db2.gz CRZDFNXDQNDJRT-QWHCGFSZSA-N 1 1 211.349 2.436 20 30 BEEDMO 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C=CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC000568879449 326380754 /nfs/dbraw/zinc/38/07/54/326380754.db2.gz BASUTKPHMNMYTJ-UHFFFAOYSA-N 1 1 235.331 2.054 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000569070010 326388520 /nfs/dbraw/zinc/38/85/20/326388520.db2.gz QBXGCARMGXDTFB-ZDUSSCGKSA-N 1 1 202.301 2.447 20 30 BEEDMO COc1ccccc1[C@@]1(C)C[C@H]1[NH2+]CCC#N ZINC000569110103 326390643 /nfs/dbraw/zinc/39/06/43/326390643.db2.gz FEAXVPUJSJZCJJ-ZIAGYGMSSA-N 1 1 230.311 2.228 20 30 BEEDMO COc1ccccc1[C@]1(C)C[C@H]1[NH2+]CCC#N ZINC000569110101 326390717 /nfs/dbraw/zinc/39/07/17/326390717.db2.gz FEAXVPUJSJZCJJ-KGLIPLIRSA-N 1 1 230.311 2.228 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1cn(C2CCC2)nn1 ZINC000667473773 488019622 /nfs/dbraw/zinc/01/96/22/488019622.db2.gz VBGYOYLELWBLLI-UHFFFAOYSA-N 1 1 234.347 2.401 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cn(C2CCC2)nn1 ZINC000667473773 488019626 /nfs/dbraw/zinc/01/96/26/488019626.db2.gz VBGYOYLELWBLLI-UHFFFAOYSA-N 1 1 234.347 2.401 20 30 BEEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(C)cc1 ZINC000677476934 488044678 /nfs/dbraw/zinc/04/46/78/488044678.db2.gz KLMYDSVRFSKGIV-AWEZNQCLSA-N 1 1 219.328 2.364 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000677477473 488046681 /nfs/dbraw/zinc/04/66/81/488046681.db2.gz HPENKWAPBDKHIB-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000677479224 488048070 /nfs/dbraw/zinc/04/80/70/488048070.db2.gz HDBSLILLDNYDNT-OAHLLOKOSA-N 1 1 233.355 2.459 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000677479537 488050168 /nfs/dbraw/zinc/05/01/68/488050168.db2.gz OPMQDLLYQCOZDH-LSDHHAIUSA-N 1 1 246.354 2.110 20 30 BEEDMO C=CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667624257 488062979 /nfs/dbraw/zinc/06/29/79/488062979.db2.gz RMCNCZGPNVPXRX-UHFFFAOYSA-N 1 1 246.358 2.401 20 30 BEEDMO CC[N@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000683019538 488094470 /nfs/dbraw/zinc/09/44/70/488094470.db2.gz QMOYQHCKHZPORL-HNNXBMFYSA-N 1 1 242.366 2.064 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000677716024 488098562 /nfs/dbraw/zinc/09/85/62/488098562.db2.gz IVSOYMLPAGIDMP-ZJUUUORDSA-N 1 1 237.265 2.198 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCSC[C@H](C)C1 ZINC000683101490 488107783 /nfs/dbraw/zinc/10/77/83/488107783.db2.gz DRRDUJLOJFOSAP-NEPJUHHUSA-N 1 1 211.374 2.473 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCSC[C@H](C)C1 ZINC000683101493 488108786 /nfs/dbraw/zinc/10/87/86/488108786.db2.gz DRRDUJLOJFOSAP-VXGBXAGGSA-N 1 1 211.374 2.473 20 30 BEEDMO C[N@@H+](C[C@H](C#N)CCC#N)CC1CCC1 ZINC000112560558 488119547 /nfs/dbraw/zinc/11/95/47/488119547.db2.gz JCHDQTXVVUKBLF-LBPRGKRZSA-N 1 1 205.305 2.162 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccn1 ZINC000068752455 488129571 /nfs/dbraw/zinc/12/95/71/488129571.db2.gz QTAULDINYXSLQK-LLVKDONJSA-N 1 1 238.294 2.199 20 30 BEEDMO CC[N@@H+](CC#CCOC)Cc1ccc(OC)cc1 ZINC000677818441 488133073 /nfs/dbraw/zinc/13/30/73/488133073.db2.gz NUDRDFPXWFSMKV-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO 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583542210 /nfs/dbraw/zinc/54/22/10/583542210.db2.gz ACWNSESRGAXQQL-ZIAGYGMSSA-N 1 1 247.386 2.239 20 30 BEEDMO C=CCCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857864214 588915086 /nfs/dbraw/zinc/91/50/86/588915086.db2.gz FTQYALPVXPVDII-NSHDSACASA-N 1 1 205.305 2.343 20 30 BEEDMO Cc1ccnc(N)c1C[NH2+]CC1(C#N)CCCC1 ZINC000895133481 583601628 /nfs/dbraw/zinc/60/16/28/583601628.db2.gz KGGVNWDYAZXUGH-UHFFFAOYSA-N 1 1 244.342 2.146 20 30 BEEDMO C#CCCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000857880593 588920013 /nfs/dbraw/zinc/92/00/13/588920013.db2.gz KKRLAFUGTOFHCP-UHFFFAOYSA-N 1 1 243.354 2.372 20 30 BEEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)n1 ZINC000895544197 583689424 /nfs/dbraw/zinc/68/94/24/583689424.db2.gz JLCOBMWOCLMFBL-NSHDSACASA-N 1 1 233.290 2.135 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(F)cc2C)C1 ZINC000895562000 583691622 /nfs/dbraw/zinc/69/16/22/583691622.db2.gz AIJXBSSOCOHGOP-LBPRGKRZSA-N 1 1 232.302 2.374 20 30 BEEDMO C#CC1([NH2+]Cc2cc(OC)cnc2F)CCCC1 ZINC000895677701 583704450 /nfs/dbraw/zinc/70/44/50/583704450.db2.gz QEIYWWWTDQPKJM-UHFFFAOYSA-N 1 1 248.301 2.265 20 30 BEEDMO C[C@H](CCC#N)C[NH+]1CCC(C)(N2CCC2)CC1 ZINC000895669818 583706338 /nfs/dbraw/zinc/70/63/38/583706338.db2.gz CDOCBVCXGDGNJZ-CQSZACIVSA-N 1 1 249.402 2.486 20 30 BEEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@@H+]2C)c1 ZINC000895768116 583723628 /nfs/dbraw/zinc/72/36/28/583723628.db2.gz WNFMSBCTKGUXMW-SNVBAGLBSA-N 1 1 233.290 2.122 20 30 BEEDMO C#CCCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000857920907 588924228 /nfs/dbraw/zinc/92/42/28/588924228.db2.gz FVWBRWSTPBKZDT-GFCCVEGCSA-N 1 1 242.322 2.243 20 30 BEEDMO C#CCCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000857920907 588924229 /nfs/dbraw/zinc/92/42/29/588924229.db2.gz FVWBRWSTPBKZDT-GFCCVEGCSA-N 1 1 242.322 2.243 20 30 BEEDMO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895807273 583732789 /nfs/dbraw/zinc/73/27/89/583732789.db2.gz MQKCLNMBYICMDC-NEPJUHHUSA-N 1 1 225.332 2.417 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858039931 588931106 /nfs/dbraw/zinc/93/11/06/588931106.db2.gz AIQHZCREZKLVBQ-AWEZNQCLSA-N 1 1 244.338 2.257 20 30 BEEDMO C#CC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045058 588930903 /nfs/dbraw/zinc/93/09/03/588930903.db2.gz YSWBBNPVQBPQQG-CQSZACIVSA-N 1 1 242.322 2.045 20 30 BEEDMO C=C(Cl)CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858140379 588935066 /nfs/dbraw/zinc/93/50/66/588935066.db2.gz CENHZNSUFHXJJE-SNVBAGLBSA-N 1 1 216.756 2.201 20 30 BEEDMO CC#CC[N@H+](C)Cc1cnc2cccc(C)n12 ZINC000897167968 583887616 /nfs/dbraw/zinc/88/76/16/583887616.db2.gz YMANZTZBXIYMGL-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000897167968 583887618 /nfs/dbraw/zinc/88/76/18/583887618.db2.gz YMANZTZBXIYMGL-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO C#CC[N@@H+](Cc1cncn1C(C)C)C(C)C ZINC000897170914 583889119 /nfs/dbraw/zinc/88/91/19/583889119.db2.gz LBVUIKJGVDUYRS-UHFFFAOYSA-N 1 1 219.332 2.308 20 30 BEEDMO C#CC[N@H+](Cc1cncn1C(C)C)C(C)C ZINC000897170914 583889121 /nfs/dbraw/zinc/88/91/21/583889121.db2.gz LBVUIKJGVDUYRS-UHFFFAOYSA-N 1 1 219.332 2.308 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000897171413 583889131 /nfs/dbraw/zinc/88/91/31/583889131.db2.gz YPSLNSNVQFCPCY-UHFFFAOYSA-N 1 1 243.310 2.112 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000302695405 583910321 /nfs/dbraw/zinc/91/03/21/583910321.db2.gz ULCNPVFXCWUQHR-LLVKDONJSA-N 1 1 249.276 2.179 20 30 BEEDMO c1cnn([NH+]=C2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000863163974 583980038 /nfs/dbraw/zinc/98/00/38/583980038.db2.gz VHMGAXBWLOZJLE-NWDGAFQWSA-N 1 1 233.315 2.314 20 30 BEEDMO Cc1cc(NCC#C[C@H]2CCCCO2)nc(C)[nH+]1 ZINC000897456800 583987747 /nfs/dbraw/zinc/98/77/47/583987747.db2.gz LRORXDUHKRIVGR-CYBMUJFWSA-N 1 1 245.326 2.078 20 30 BEEDMO C=CCCC[N@H+](CC)Cc1cnc(N(C)C)nc1 ZINC000898245989 584100841 /nfs/dbraw/zinc/10/08/41/584100841.db2.gz KYRMVMZZMBTINL-UHFFFAOYSA-N 1 1 248.374 2.331 20 30 BEEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC000900012646 584263531 /nfs/dbraw/zinc/26/35/31/584263531.db2.gz VWCKXNOFUGMDTN-NXEZZACHSA-N 1 1 237.303 2.277 20 30 BEEDMO C=CC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900742532 584348419 /nfs/dbraw/zinc/34/84/19/584348419.db2.gz ROJAFKNARVMIOF-AVGNSLFASA-N 1 1 236.359 2.084 20 30 BEEDMO C=CC(C)(C)CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000900913241 584365514 /nfs/dbraw/zinc/36/55/14/584365514.db2.gz SOIYVHUOWSICTH-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C#CC[C@@H](CCOC)Nc1cc(C)cc[nH+]1 ZINC000858857229 588979190 /nfs/dbraw/zinc/97/91/90/588979190.db2.gz LOPJOCDKJONDNE-LBPRGKRZSA-N 1 1 218.300 2.230 20 30 BEEDMO CCN[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000901281132 584414668 /nfs/dbraw/zinc/41/46/68/584414668.db2.gz KAMLIVKOXCEGNI-UHFFFAOYSA-N 1 1 238.360 2.011 20 30 BEEDMO C[C@H]1C[N@H+](C)CC1=NNC1CCC(F)(F)CC1 ZINC000901342168 584428283 /nfs/dbraw/zinc/42/82/83/584428283.db2.gz YOBPOXMGJKCABF-VIFPVBQESA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1=NNC1CCC(F)(F)CC1 ZINC000901342168 584428284 /nfs/dbraw/zinc/42/82/84/584428284.db2.gz YOBPOXMGJKCABF-VIFPVBQESA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1CC(=NNC2CCC(F)(F)CC2)C[N@@H+]1C ZINC000901342144 584428315 /nfs/dbraw/zinc/42/83/15/584428315.db2.gz XQCJDNFAVXOOAG-SECBINFHSA-N 1 1 245.317 2.234 20 30 BEEDMO C[C@@H]1CC(=NNC2CCC(F)(F)CC2)C[N@H+]1C ZINC000901342144 584428316 /nfs/dbraw/zinc/42/83/16/584428316.db2.gz XQCJDNFAVXOOAG-SECBINFHSA-N 1 1 245.317 2.234 20 30 BEEDMO C[C@@H]1CC(N=Nc2cc(F)ccc2F)C[N@H+]1C ZINC000901319863 584429713 /nfs/dbraw/zinc/42/97/13/584429713.db2.gz GVBFRFUXLPNARW-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO C=CC[C@@H]([NH2+]CC1CCC=CCC1)C(=O)OC ZINC000901629900 584470407 /nfs/dbraw/zinc/47/04/07/584470407.db2.gz HQWSOUYUWCDTDD-CYBMUJFWSA-N 1 1 237.343 2.440 20 30 BEEDMO CC1(C)C[NH2+]C[C@@H]1NC1CCC(C)(C#N)CC1 ZINC000902446548 584603912 /nfs/dbraw/zinc/60/39/12/584603912.db2.gz UERMZYMLXVUMPG-LXVYMNJGSA-N 1 1 235.375 2.046 20 30 BEEDMO C=CCC[C@@H](N[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449060 584605674 /nfs/dbraw/zinc/60/56/74/584605674.db2.gz LKXZCBIXCAFFSA-OLZOCXBDSA-N 1 1 222.376 2.319 20 30 BEEDMO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902466605 584613676 /nfs/dbraw/zinc/61/36/76/584613676.db2.gz MJFZQHROLWTPGI-KSSYENDESA-N 1 1 208.349 2.070 20 30 BEEDMO C=CC[C@@H](C)[C@H](C)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902466605 584613678 /nfs/dbraw/zinc/61/36/78/584613678.db2.gz MJFZQHROLWTPGI-KSSYENDESA-N 1 1 208.349 2.070 20 30 BEEDMO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCCN1 ZINC000902482638 584624305 /nfs/dbraw/zinc/62/43/05/584624305.db2.gz MHUQKDFXKIIFQH-CHWSQXEVSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCC[C@@H](C)NC[C@H]1CCCCC[NH2+]1 ZINC000902482638 584624306 /nfs/dbraw/zinc/62/43/06/584624306.db2.gz MHUQKDFXKIIFQH-CHWSQXEVSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCCCN1 ZINC000902482639 584624140 /nfs/dbraw/zinc/62/41/40/584624140.db2.gz MHUQKDFXKIIFQH-OLZOCXBDSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCC[C@@H](C)NC[C@@H]1CCCCC[NH2+]1 ZINC000902482639 584624143 /nfs/dbraw/zinc/62/41/43/584624143.db2.gz MHUQKDFXKIIFQH-OLZOCXBDSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCCC[N@H+](CC)CN1C[C@@H](C)[C@H](C)C1=O ZINC000902668724 584654219 /nfs/dbraw/zinc/65/42/19/584654219.db2.gz FFCJYVPBLRVHBR-OLZOCXBDSA-N 1 1 238.375 2.346 20 30 BEEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cn[nH]c1 ZINC000902887347 584688930 /nfs/dbraw/zinc/68/89/30/584688930.db2.gz HTEQQBWYKJCEPY-ZJUUUORDSA-N 1 1 241.298 2.088 20 30 BEEDMO CCCn1cc([C@H](C)[NH2+]CC(C)(C)CC#N)nn1 ZINC000903017175 584713328 /nfs/dbraw/zinc/71/33/28/584713328.db2.gz LEGVXNMYNXMQGF-NSHDSACASA-N 1 1 249.362 2.279 20 30 BEEDMO Cc1ncncc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035951 584719709 /nfs/dbraw/zinc/71/97/09/584719709.db2.gz XIQSQWFZCSKHLY-JTQLQIEISA-N 1 1 230.315 2.130 20 30 BEEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)C1(Cl)CC1 ZINC000903264273 584740774 /nfs/dbraw/zinc/74/07/74/584740774.db2.gz RRLACDRKZBFQGT-ZETCQYMHSA-N 1 1 241.747 2.264 20 30 BEEDMO C=C1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859135941 589007935 /nfs/dbraw/zinc/00/79/35/589007935.db2.gz YSDLYLZIECCCIY-UHFFFAOYSA-N 1 1 206.264 2.373 20 30 BEEDMO C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1CN ZINC000903424962 584765315 /nfs/dbraw/zinc/76/53/15/584765315.db2.gz NKOSWRPKSHUWKU-URGYJCLVSA-N 1 1 249.402 2.376 20 30 BEEDMO N#CC1CCC(C[N@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC000903464612 584771961 /nfs/dbraw/zinc/77/19/61/584771961.db2.gz UEFWQJTVZVOLBH-NEXFUWMNSA-N 1 1 247.386 2.130 20 30 BEEDMO N#CC1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3(N)C2)CC1 ZINC000903464612 584771962 /nfs/dbraw/zinc/77/19/62/584771962.db2.gz UEFWQJTVZVOLBH-NEXFUWMNSA-N 1 1 247.386 2.130 20 30 BEEDMO N#C[C@@H]1CCCN(CCCCCCC[NH3+])C1 ZINC000903563805 584782466 /nfs/dbraw/zinc/78/24/66/584782466.db2.gz LJHZONSKRAQZOF-ZDUSSCGKSA-N 1 1 223.364 2.131 20 30 BEEDMO CCCCCCN(O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000904207104 584846681 /nfs/dbraw/zinc/84/66/81/584846681.db2.gz QPGDZUCFSAODFV-GFCCVEGCSA-N 1 1 242.363 2.126 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1CCN(c2ccccc2)C1 ZINC000876638445 584886482 /nfs/dbraw/zinc/88/64/82/584886482.db2.gz ANMYPXFLHNTZKR-OAHLLOKOSA-N 1 1 242.366 2.468 20 30 BEEDMO C#CC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000830321430 584908271 /nfs/dbraw/zinc/90/82/71/584908271.db2.gz LFGLKJLIYLNBFP-SNVBAGLBSA-N 1 1 245.326 2.353 20 30 BEEDMO COCC#CC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000762917682 584917881 /nfs/dbraw/zinc/91/78/81/584917881.db2.gz MYJAEUVHILBQAT-ZDUSSCGKSA-N 1 1 229.323 2.256 20 30 BEEDMO CCCCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000754840356 584932596 /nfs/dbraw/zinc/93/25/96/584932596.db2.gz AEFGTEYOCLSNAF-ZDUSSCGKSA-N 1 1 240.391 2.415 20 30 BEEDMO CCCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000754840352 584932644 /nfs/dbraw/zinc/93/26/44/584932644.db2.gz AEFGTEYOCLSNAF-CYBMUJFWSA-N 1 1 240.391 2.415 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000766895983 584944441 /nfs/dbraw/zinc/94/44/41/584944441.db2.gz UWHSSEIWRKPQNC-ZDUSSCGKSA-N 1 1 231.343 2.013 20 30 BEEDMO C#CCCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000766901912 584944522 /nfs/dbraw/zinc/94/45/22/584944522.db2.gz AFQVLLCTGMXLCB-NXEZZACHSA-N 1 1 235.249 2.051 20 30 BEEDMO C#CCCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000766901912 584944523 /nfs/dbraw/zinc/94/45/23/584944523.db2.gz AFQVLLCTGMXLCB-NXEZZACHSA-N 1 1 235.249 2.051 20 30 BEEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000766902574 584944542 /nfs/dbraw/zinc/94/45/42/584944542.db2.gz LGFLTOLKTFDACU-OLZOCXBDSA-N 1 1 209.333 2.025 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)c1cccc(C)c1C ZINC000734296689 584959864 /nfs/dbraw/zinc/95/98/64/584959864.db2.gz TXKRPGMBSOXATR-UHFFFAOYSA-N 1 1 245.370 2.275 20 30 BEEDMO C[C@H](CC#N)N[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000771885963 585010444 /nfs/dbraw/zinc/01/04/44/585010444.db2.gz RAKHOKXKQHREEG-SNVBAGLBSA-N 1 1 248.305 2.117 20 30 BEEDMO C#CC[N@H+](C[C@H](O)C1CC1)C1CCCCC1 ZINC000838800244 585069245 /nfs/dbraw/zinc/06/92/45/585069245.db2.gz VCMNGJMAWXEFAI-AWEZNQCLSA-N 1 1 221.344 2.025 20 30 BEEDMO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000839189002 585097043 /nfs/dbraw/zinc/09/70/43/585097043.db2.gz MQIBMTKSCGGFGM-NEPJUHHUSA-N 1 1 209.333 2.003 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCc2ccccc21 ZINC000839199479 585099074 /nfs/dbraw/zinc/09/90/74/585099074.db2.gz NEAMLPGNGDPPNC-HUUCEWRRSA-N 1 1 241.334 2.050 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCc2ccccc21 ZINC000839199479 585099075 /nfs/dbraw/zinc/09/90/75/585099075.db2.gz NEAMLPGNGDPPNC-HUUCEWRRSA-N 1 1 241.334 2.050 20 30 BEEDMO C=C(C)COC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741018470 585109460 /nfs/dbraw/zinc/10/94/60/585109460.db2.gz GEXDYEZQHIAEFX-TUAOUCFPSA-N 1 1 225.332 2.367 20 30 BEEDMO C=CC[N@H+](CCOC[C@H]1CCCO1)C(C)C ZINC000741244606 585111619 /nfs/dbraw/zinc/11/16/19/585111619.db2.gz ILMXOGSSKWBOCT-CYBMUJFWSA-N 1 1 227.348 2.078 20 30 BEEDMO CC[N@H+]1CCC(N=NCc2ccccc2)[C@@H](C)C1 ZINC000741457035 585114142 /nfs/dbraw/zinc/11/41/42/585114142.db2.gz REDZQCRGNLFTMK-ZDUSSCGKSA-N 1 1 245.370 2.494 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)CCCCCCCO ZINC000743844378 585140163 /nfs/dbraw/zinc/14/01/63/585140163.db2.gz PIJVJJIJUZBSMD-GFCCVEGCSA-N 1 1 212.337 2.021 20 30 BEEDMO C#CC[N@H+](CC#CC)CCOCCC(C)C ZINC000743852731 585140969 /nfs/dbraw/zinc/14/09/69/585140969.db2.gz CPCLLQVVGZFINI-UHFFFAOYSA-N 1 1 221.344 2.008 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCOCCC(C)C ZINC000743852731 585140970 /nfs/dbraw/zinc/14/09/70/585140970.db2.gz CPCLLQVVGZFINI-UHFFFAOYSA-N 1 1 221.344 2.008 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOCc2cccnc2)[C@H](C)C1 ZINC000746585523 585170377 /nfs/dbraw/zinc/17/03/77/585170377.db2.gz GVRXPCKURXNKHK-GFCCVEGCSA-N 1 1 247.342 2.314 20 30 BEEDMO C[NH+]1CCN(N=C/C=C\c2ccc(F)cc2)CC1 ZINC000747736244 585183041 /nfs/dbraw/zinc/18/30/41/585183041.db2.gz NTXYLQOTUNRAMW-OPRRYBFASA-N 1 1 247.317 2.072 20 30 BEEDMO C[C@@H]1CCC[N@@H+]1CCNCc1cc(C#N)cs1 ZINC000748099154 585186976 /nfs/dbraw/zinc/18/69/76/585186976.db2.gz FZWHDSKDDPFQQH-LLVKDONJSA-N 1 1 249.383 2.194 20 30 BEEDMO C[C@@H]1CCC[N@H+]1CCNCc1cc(C#N)cs1 ZINC000748099154 585186977 /nfs/dbraw/zinc/18/69/77/585186977.db2.gz FZWHDSKDDPFQQH-LLVKDONJSA-N 1 1 249.383 2.194 20 30 BEEDMO CC(C)CON=C1C[N@H+](C2CC2)C[C@H]1C ZINC000749636020 585204772 /nfs/dbraw/zinc/20/47/72/585204772.db2.gz CWIAYTDPRFEBIL-SNVBAGLBSA-N 1 1 210.321 2.129 20 30 BEEDMO CCCCCCCC[N@@H+](C)CC(=O)NC ZINC000749796118 585206253 /nfs/dbraw/zinc/20/62/53/585206253.db2.gz BHFQLRNVBJCQPU-UHFFFAOYSA-N 1 1 214.353 2.025 20 30 BEEDMO Cc1cc(C[NH2+][C@H](C)CC#N)ccc1N(C)C ZINC000751148024 585224678 /nfs/dbraw/zinc/22/46/78/585224678.db2.gz MLNIHOJQUGOEBA-GFCCVEGCSA-N 1 1 231.343 2.453 20 30 BEEDMO C#CC[NH+](CC#C)CCOc1cccc(Cl)c1 ZINC000752074996 585241129 /nfs/dbraw/zinc/24/11/29/585241129.db2.gz IEEMGLYEKWVYBD-UHFFFAOYSA-N 1 1 247.725 2.287 20 30 BEEDMO C#CC[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000752074485 585241278 /nfs/dbraw/zinc/24/12/78/585241278.db2.gz CQOWJMUZRYDBAC-KGLIPLIRSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000752074485 585241279 /nfs/dbraw/zinc/24/12/79/585241279.db2.gz CQOWJMUZRYDBAC-KGLIPLIRSA-N 1 1 249.354 2.063 20 30 BEEDMO Cc1ccc(N=NC2C[N@H+](C)C[C@@H]2C)cc1 ZINC000752156489 585242722 /nfs/dbraw/zinc/24/27/22/585242722.db2.gz AEBMSZBHAIRVTI-NSHDSACASA-N 1 1 217.316 2.344 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ncccc1Cl ZINC000752163937 585243208 /nfs/dbraw/zinc/24/32/08/585243208.db2.gz GCYAXZVFHSDELJ-QMMMGPOBSA-N 1 1 238.722 2.084 20 30 BEEDMO C[C@H]1CC(=NNCc2ccccc2)C[N@@H+]1C1CC1 ZINC000753954042 585273278 /nfs/dbraw/zinc/27/32/78/585273278.db2.gz AVMVDDFRIXERCL-LBPRGKRZSA-N 1 1 243.354 2.389 20 30 BEEDMO C[C@H]1CC(=NNCc2ccccc2)C[N@H+]1C1CC1 ZINC000753954042 585273279 /nfs/dbraw/zinc/27/32/79/585273279.db2.gz AVMVDDFRIXERCL-LBPRGKRZSA-N 1 1 243.354 2.389 20 30 BEEDMO Cc1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)nc1 ZINC000753960890 585273694 /nfs/dbraw/zinc/27/36/94/585273694.db2.gz XEEXQVVRPDTKOF-NSHDSACASA-N 1 1 244.342 2.415 20 30 BEEDMO CCCCNN=C1C[N@H+](C(C)C)C[C@H]1C ZINC000754256398 585280895 /nfs/dbraw/zinc/28/08/95/585280895.db2.gz BLTLHTONWXKYRZ-LLVKDONJSA-N 1 1 211.353 2.092 20 30 BEEDMO CC(C)[N@@H+]1CC(=NNCc2ccccc2)[C@H](C)C1 ZINC000754256924 585281184 /nfs/dbraw/zinc/28/11/84/585281184.db2.gz GIHKNXHRDZSXAT-CYBMUJFWSA-N 1 1 245.370 2.492 20 30 BEEDMO CCCCCCC[N@@H+]1CCN(CC)C(=O)C1 ZINC000755289263 585297184 /nfs/dbraw/zinc/29/71/84/585297184.db2.gz QGQGBZSRSKMNLY-UHFFFAOYSA-N 1 1 226.364 2.121 20 30 BEEDMO CCCCCCC[N@H+]1CCN(CC)C(=O)C1 ZINC000755289263 585297185 /nfs/dbraw/zinc/29/71/85/585297185.db2.gz QGQGBZSRSKMNLY-UHFFFAOYSA-N 1 1 226.364 2.121 20 30 BEEDMO C[NH+]1CCN(N=C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000755464943 585300012 /nfs/dbraw/zinc/30/00/12/585300012.db2.gz CWDZDPAKBNHMQA-HUUCEWRRSA-N 1 1 243.354 2.023 20 30 BEEDMO CC[N@H+]1CCC(=NO[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000755820722 585308078 /nfs/dbraw/zinc/30/80/78/585308078.db2.gz DYORICJFSINOPI-WCQYABFASA-N 1 1 240.347 2.247 20 30 BEEDMO Cc1ccnc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000755901688 585309858 /nfs/dbraw/zinc/30/98/58/585309858.db2.gz XLWXQFGRJFUDPT-NSHDSACASA-N 1 1 244.342 2.415 20 30 BEEDMO C=CC[N@@H+](CN1C[C@@H](CC)CC1=O)C(C)C ZINC000755911946 585310366 /nfs/dbraw/zinc/31/03/66/585310366.db2.gz GPTVJGYSLVBDMO-LBPRGKRZSA-N 1 1 224.348 2.099 20 30 BEEDMO C=CC[N@H+](CN1C[C@@H](CC)CC1=O)C(C)C ZINC000755911946 585310367 /nfs/dbraw/zinc/31/03/67/585310367.db2.gz GPTVJGYSLVBDMO-LBPRGKRZSA-N 1 1 224.348 2.099 20 30 BEEDMO CCOc1ccc(C[NH+]2CCC(C#N)CC2)nc1 ZINC000755921517 585310848 /nfs/dbraw/zinc/31/08/48/585310848.db2.gz FUHNZZDBPIWVKP-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO C#CC[N@@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC000756026423 585313387 /nfs/dbraw/zinc/31/33/87/585313387.db2.gz BZQOACDNNYOPQE-CQSZACIVSA-N 1 1 228.339 2.350 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)CCC ZINC000756552815 585321042 /nfs/dbraw/zinc/32/10/42/585321042.db2.gz KMXKNQLWPPCTPA-STQMWFEESA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C(/C)CCC ZINC000756552865 585321073 /nfs/dbraw/zinc/32/10/73/585321073.db2.gz LNGDAELKWHHEAH-FZDNWWAKSA-N 1 1 249.354 2.374 20 30 BEEDMO C#CC[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000756996243 585326302 /nfs/dbraw/zinc/32/63/02/585326302.db2.gz PENJPNJLRAEOGR-AWEZNQCLSA-N 1 1 225.295 2.264 20 30 BEEDMO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000839533808 585329133 /nfs/dbraw/zinc/32/91/33/585329133.db2.gz NYYATLZMBYINLH-AWEZNQCLSA-N 1 1 249.402 2.486 20 30 BEEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000839533808 585329134 /nfs/dbraw/zinc/32/91/34/585329134.db2.gz NYYATLZMBYINLH-AWEZNQCLSA-N 1 1 249.402 2.486 20 30 BEEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000839533808 585329135 /nfs/dbraw/zinc/32/91/35/585329135.db2.gz NYYATLZMBYINLH-AWEZNQCLSA-N 1 1 249.402 2.486 20 30 BEEDMO C=C(Cl)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000839545419 585329882 /nfs/dbraw/zinc/32/98/82/585329882.db2.gz IEKQOTMMFBIUDJ-WDEREUQCSA-N 1 1 231.767 2.468 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000839545419 585329883 /nfs/dbraw/zinc/32/98/83/585329883.db2.gz IEKQOTMMFBIUDJ-WDEREUQCSA-N 1 1 231.767 2.468 20 30 BEEDMO C=C(Cl)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000839575997 585330657 /nfs/dbraw/zinc/33/06/57/585330657.db2.gz XBYVRMXRWYYALA-SNVBAGLBSA-N 1 1 217.740 2.364 20 30 BEEDMO C=C(Cl)C[NH2+][C@H](CO)c1ccsc1 ZINC000839558296 585330854 /nfs/dbraw/zinc/33/08/54/585330854.db2.gz CFRQHUSIYVDAHY-SECBINFHSA-N 1 1 217.721 2.124 20 30 BEEDMO C#CCC[N@H+]1CCSC2(CCC2)CC1 ZINC000839626103 585332860 /nfs/dbraw/zinc/33/28/60/585332860.db2.gz PILGJZJROBEATM-UHFFFAOYSA-N 1 1 209.358 2.371 20 30 BEEDMO C#CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000839634016 585333005 /nfs/dbraw/zinc/33/30/05/585333005.db2.gz AOCKVYNALOAMMF-LSDHHAIUSA-N 1 1 229.323 2.208 20 30 BEEDMO CC[N@@H+](CCO[C@H](C)C#N)C1CC(C)(C)C1 ZINC000839663407 585334705 /nfs/dbraw/zinc/33/47/05/585334705.db2.gz FSUURTNZYZRTFV-LLVKDONJSA-N 1 1 224.348 2.426 20 30 BEEDMO CCCCCCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839670866 585336092 /nfs/dbraw/zinc/33/60/92/585336092.db2.gz IQLQLXORLSUUNQ-OLZOCXBDSA-N 1 1 229.364 2.038 20 30 BEEDMO CCOCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000757905120 585346762 /nfs/dbraw/zinc/34/67/62/585346762.db2.gz DKDQDCFUBCLMKX-GFCCVEGCSA-N 1 1 248.326 2.309 20 30 BEEDMO CC[C@H](C)C[N@@H+](CC)Cn1cccc(C#N)c1=O ZINC000758233118 585352362 /nfs/dbraw/zinc/35/23/62/585352362.db2.gz URZAZBMUJGNSLG-LBPRGKRZSA-N 1 1 247.342 2.045 20 30 BEEDMO N#Cc1ccc(OC2CC[NH+](CCF)CC2)cc1 ZINC000759338569 585368787 /nfs/dbraw/zinc/36/87/87/585368787.db2.gz JYFDNOXSRVCNDO-UHFFFAOYSA-N 1 1 248.301 2.371 20 30 BEEDMO Cc1ccc(F)c(N=NC2C[N@H+](C)C[C@@H]2C)c1 ZINC000759663354 585378178 /nfs/dbraw/zinc/37/81/78/585378178.db2.gz CRFNIFPSMJMNTA-JTQLQIEISA-N 1 1 235.306 2.484 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cccc(C#N)c1 ZINC000760821158 585397687 /nfs/dbraw/zinc/39/76/87/585397687.db2.gz SQPZXVTUPIDFMP-UHFFFAOYSA-N 1 1 242.322 2.030 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cccc(F)c1 ZINC000760818503 585397726 /nfs/dbraw/zinc/39/77/26/585397726.db2.gz FTNNBFJDORWUDM-UHFFFAOYSA-N 1 1 235.302 2.297 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccc(C)cc1 ZINC000760820590 585397753 /nfs/dbraw/zinc/39/77/53/585397753.db2.gz QRPIKFXDGMDACH-UHFFFAOYSA-N 1 1 231.339 2.467 20 30 BEEDMO C#CCC[N@H+](C)CCc1ccccc1F ZINC000760834130 585398586 /nfs/dbraw/zinc/39/85/86/585398586.db2.gz MCPZSISPBMUWHS-UHFFFAOYSA-N 1 1 205.276 2.323 20 30 BEEDMO C#CCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000760843023 585399400 /nfs/dbraw/zinc/39/94/00/585399400.db2.gz HKNLBHMCOMZHEX-ZDUSSCGKSA-N 1 1 200.285 2.242 20 30 BEEDMO C#CCC[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000760860139 585400151 /nfs/dbraw/zinc/40/01/51/585400151.db2.gz LFQWWYABBPIWNM-UHFFFAOYSA-N 1 1 237.343 2.208 20 30 BEEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761081082 585406525 /nfs/dbraw/zinc/40/65/25/585406525.db2.gz FKGBETWHRZWGSA-GXTWGEPZSA-N 1 1 228.295 2.183 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000761108352 585409644 /nfs/dbraw/zinc/40/96/44/585409644.db2.gz LERXXZGZKQPMJR-UHFFFAOYSA-N 1 1 237.730 2.422 20 30 BEEDMO C#CCOCC[N@@H+](C)Cc1ccccc1Cl ZINC000761112857 585410156 /nfs/dbraw/zinc/41/01/56/585410156.db2.gz CMTQDSOOSDQRMB-UHFFFAOYSA-N 1 1 237.730 2.422 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccccc1Cl ZINC000761112857 585410157 /nfs/dbraw/zinc/41/01/57/585410157.db2.gz CMTQDSOOSDQRMB-UHFFFAOYSA-N 1 1 237.730 2.422 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000761115812 585410664 /nfs/dbraw/zinc/41/06/64/585410664.db2.gz ZBTWVJLUYXVKGK-UHFFFAOYSA-N 1 1 243.759 2.483 20 30 BEEDMO C[C@@H](NN=C1C[C@@H](C)[N@H+](C)C1)c1ccccc1 ZINC000761813138 585419180 /nfs/dbraw/zinc/41/91/80/585419180.db2.gz TXQZLDFVBAJPHX-VXGBXAGGSA-N 1 1 231.343 2.417 20 30 BEEDMO C[C@@H](NN=C1C[C@@H](C)[N@@H+](C)C1)c1ccccc1 ZINC000761813138 585419181 /nfs/dbraw/zinc/41/91/81/585419181.db2.gz TXQZLDFVBAJPHX-VXGBXAGGSA-N 1 1 231.343 2.417 20 30 BEEDMO C[C@H](NN=C1C[C@H](C)[N@H+](C)C1)c1ccccc1 ZINC000761813135 585419189 /nfs/dbraw/zinc/41/91/89/585419189.db2.gz TXQZLDFVBAJPHX-RYUDHWBXSA-N 1 1 231.343 2.417 20 30 BEEDMO C[C@H](NN=C1C[C@H](C)[N@@H+](C)C1)c1ccccc1 ZINC000761813135 585419190 /nfs/dbraw/zinc/41/91/90/585419190.db2.gz TXQZLDFVBAJPHX-RYUDHWBXSA-N 1 1 231.343 2.417 20 30 BEEDMO C=CCCC[N@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000762494902 585433452 /nfs/dbraw/zinc/43/34/52/585433452.db2.gz JZOSZJAOIXSZJD-ZDUSSCGKSA-N 1 1 236.359 2.100 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1c(O)cccc1OC ZINC000762795413 585437293 /nfs/dbraw/zinc/43/72/93/585437293.db2.gz WFWWNDZKBYJNEI-JTQLQIEISA-N 1 1 234.299 2.183 20 30 BEEDMO C=CC[N@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859226325 589022061 /nfs/dbraw/zinc/02/20/61/589022061.db2.gz OTSMJLTZVGCVDC-UHFFFAOYSA-N 1 1 206.264 2.371 20 30 BEEDMO C#CC[N@H+](Cc1[nH]nc2ccccc21)C1CC1 ZINC000764681733 585470882 /nfs/dbraw/zinc/47/08/82/585470882.db2.gz HRSFRTZYBXOVGY-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C#CC[N@@H+](Cc1[nH]nc2ccccc21)C1CC1 ZINC000764681733 585470883 /nfs/dbraw/zinc/47/08/83/585470883.db2.gz HRSFRTZYBXOVGY-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C[C@H]1CC(=NNCCc2ccccc2F)C[N@@H+]1C ZINC000764721071 585472046 /nfs/dbraw/zinc/47/20/46/585472046.db2.gz HOOBTLOJWFCDEB-NSHDSACASA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@H]1CC(=NNCCc2ccccc2F)C[N@H+]1C ZINC000764721071 585472047 /nfs/dbraw/zinc/47/20/47/585472047.db2.gz HOOBTLOJWFCDEB-NSHDSACASA-N 1 1 249.333 2.038 20 30 BEEDMO C#CCCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000765504440 585488355 /nfs/dbraw/zinc/48/83/55/585488355.db2.gz XDXYZASGDGUBQN-UHFFFAOYSA-N 1 1 237.343 2.206 20 30 BEEDMO c1ccc(CNN=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765562814 585489568 /nfs/dbraw/zinc/48/95/68/585489568.db2.gz JRVDTFGDKVFMIK-CQSZACIVSA-N 1 1 229.327 2.000 20 30 BEEDMO N#Cc1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765567118 585489980 /nfs/dbraw/zinc/48/99/80/585489980.db2.gz ZZGSPINZCKTRLK-AWEZNQCLSA-N 1 1 240.310 2.194 20 30 BEEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000766901996 585510163 /nfs/dbraw/zinc/51/01/63/585510163.db2.gz CBSLGHTYLWRQML-AWEZNQCLSA-N 1 1 231.339 2.283 20 30 BEEDMO C#CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000766904086 585510939 /nfs/dbraw/zinc/51/09/39/585510939.db2.gz WDRKOCBLDSHMAD-OAHLLOKOSA-N 1 1 234.387 2.208 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000766905253 585510953 /nfs/dbraw/zinc/51/09/53/585510953.db2.gz IPZBJQNDQXDQFS-GFCCVEGCSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000766917809 585511458 /nfs/dbraw/zinc/51/14/58/585511458.db2.gz OMOSQGFEFJOWLZ-UHFFFAOYSA-N 1 1 229.323 2.206 20 30 BEEDMO C#CCC(C)(C)C(=O)OCCCn1cc[nH+]c1C ZINC000767645476 585523678 /nfs/dbraw/zinc/52/36/78/585523678.db2.gz ZFVXUKRJSURSSW-UHFFFAOYSA-N 1 1 248.326 2.174 20 30 BEEDMO C[C@@H]1CCC[C@@H](C=NN2CC[NH+](C)CC2)C1 ZINC000768356798 585537085 /nfs/dbraw/zinc/53/70/85/585537085.db2.gz CBKLMYDCVJSIAY-CHWSQXEVSA-N 1 1 223.364 2.046 20 30 BEEDMO COc1cc(C[N@H+](C)[C@H](C)CC#N)c(O)cc1C ZINC000768453369 585538860 /nfs/dbraw/zinc/53/88/60/585538860.db2.gz WEANDQBRVZTOAS-LLVKDONJSA-N 1 1 248.326 2.443 20 30 BEEDMO COc1cc(C[N@@H+](C)[C@H](C)CC#N)c(O)cc1C ZINC000768453369 585538861 /nfs/dbraw/zinc/53/88/61/585538861.db2.gz WEANDQBRVZTOAS-LLVKDONJSA-N 1 1 248.326 2.443 20 30 BEEDMO C#CC[NH+](CC#C)Cc1nccc2ccccc21 ZINC000769442568 585556414 /nfs/dbraw/zinc/55/64/14/585556414.db2.gz JOIDAAMKUQZTGT-UHFFFAOYSA-N 1 1 234.302 2.303 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccc(CC)s1 ZINC000769442869 585556516 /nfs/dbraw/zinc/55/65/16/585556516.db2.gz KLFAYBACVAFQKT-UHFFFAOYSA-N 1 1 217.337 2.379 20 30 BEEDMO CC[C@@H]1C[C@@H](C)CCC1=NN1CC[NH+](C)CC1 ZINC000769568284 585559677 /nfs/dbraw/zinc/55/96/77/585559677.db2.gz YCWKMECABKHXFO-QWHCGFSZSA-N 1 1 237.391 2.436 20 30 BEEDMO CC(=[NH+]NCC(F)(F)F)c1ccc(N)cc1C ZINC000769824400 585564838 /nfs/dbraw/zinc/56/48/38/585564838.db2.gz IOVVXTIVDMDDCX-UHFFFAOYSA-N 1 1 245.248 2.453 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CCCCCC ZINC000769978265 585568233 /nfs/dbraw/zinc/56/82/33/585568233.db2.gz VAAWRKBYMOWRGY-OLZOCXBDSA-N 1 1 211.349 2.271 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCN1CCCc2ccccc21 ZINC000769978078 585568388 /nfs/dbraw/zinc/56/83/88/585568388.db2.gz OZAIQNVUIWTDFI-AWEZNQCLSA-N 1 1 242.366 2.393 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000769975718 585568452 /nfs/dbraw/zinc/56/84/52/585568452.db2.gz KAOSMRGKBWPFKJ-GFCCVEGCSA-N 1 1 212.296 2.320 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000770002113 585568983 /nfs/dbraw/zinc/56/89/83/585568983.db2.gz PURUKRPZSVHWLA-AWEZNQCLSA-N 1 1 237.343 2.208 20 30 BEEDMO CCCc1cccc(C=NN2CC[NH+](C)CC2)c1 ZINC000774308744 585656204 /nfs/dbraw/zinc/65/62/04/585656204.db2.gz BNGYAVFIHYZQNH-UHFFFAOYSA-N 1 1 245.370 2.220 20 30 BEEDMO CCC(CC)CNN=C1C[C@H](C)[N@H+](C)C1 ZINC000774462757 585659719 /nfs/dbraw/zinc/65/97/19/585659719.db2.gz OHPWXPWNWBGWIW-JTQLQIEISA-N 1 1 211.353 2.092 20 30 BEEDMO CCC(CC)CNN=C1C[C@H](C)[N@@H+](C)C1 ZINC000774462757 585659720 /nfs/dbraw/zinc/65/97/20/585659720.db2.gz OHPWXPWNWBGWIW-JTQLQIEISA-N 1 1 211.353 2.092 20 30 BEEDMO CCC(CC)CNN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000774463990 585659822 /nfs/dbraw/zinc/65/98/22/585659822.db2.gz SVMMLIYZNUNPPW-NSHDSACASA-N 1 1 225.380 2.482 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000775184067 585672762 /nfs/dbraw/zinc/67/27/62/585672762.db2.gz UTHAPGIOQVPYMB-LLVKDONJSA-N 1 1 203.285 2.154 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(C)o1)[C@@H]1CCCO1 ZINC000775572621 585680676 /nfs/dbraw/zinc/68/06/76/585680676.db2.gz SLSTXLGTAQCPFX-OBJOEFQTSA-N 1 1 233.311 2.419 20 30 BEEDMO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000777959553 585724605 /nfs/dbraw/zinc/72/46/05/585724605.db2.gz PTEIQMUDIUGFBZ-CHWSQXEVSA-N 1 1 236.359 2.243 20 30 BEEDMO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000777959553 585724606 /nfs/dbraw/zinc/72/46/06/585724606.db2.gz PTEIQMUDIUGFBZ-CHWSQXEVSA-N 1 1 236.359 2.243 20 30 BEEDMO C=CCCC(=O)OCCCCn1cc[nH+]c1C ZINC000778794351 585740920 /nfs/dbraw/zinc/74/09/20/585740920.db2.gz AKHNBFTXCIDSCX-UHFFFAOYSA-N 1 1 236.315 2.481 20 30 BEEDMO Fc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CC2 ZINC000779807395 585765374 /nfs/dbraw/zinc/76/53/74/585765374.db2.gz VMBUVDHOFWGVHV-UHFFFAOYSA-N 1 1 241.269 2.405 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1occc1C ZINC000779806616 585765463 /nfs/dbraw/zinc/76/54/63/585765463.db2.gz CVTOWWQELBUXCP-UHFFFAOYSA-N 1 1 215.256 2.241 20 30 BEEDMO CCc1cccnc1C(C)=NNc1cc[nH+]cc1 ZINC000779810884 585766274 /nfs/dbraw/zinc/76/62/74/585766274.db2.gz KWCUODIFGQOCOS-UHFFFAOYSA-N 1 1 240.310 2.297 20 30 BEEDMO COc1ccccc1C(C)=NNc1cc[nH+]cc1 ZINC000779812802 585766316 /nfs/dbraw/zinc/76/63/16/585766316.db2.gz YHHUUXVNKRHSBR-UHFFFAOYSA-N 1 1 241.294 2.348 20 30 BEEDMO Cc1cc(O)c(C=NNc2cc[nH+]cc2)cc1C ZINC000779812676 585766531 /nfs/dbraw/zinc/76/65/31/585766531.db2.gz XNJUMSXZKSKBDP-UHFFFAOYSA-N 1 1 241.294 2.272 20 30 BEEDMO Cc1ccoc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555283 585781051 /nfs/dbraw/zinc/78/10/51/585781051.db2.gz GHUSIGYRKJVAKL-UHFFFAOYSA-N 1 1 227.267 2.145 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2)nc1 ZINC000780555006 585781175 /nfs/dbraw/zinc/78/11/75/585781175.db2.gz LNCQJKOCXMDFGY-UHFFFAOYSA-N 1 1 241.269 2.382 20 30 BEEDMO C[C@H]1CCCC(=NN2CC[NH+](C)CC2)[C@H]1C ZINC000781114746 585790648 /nfs/dbraw/zinc/79/06/48/585790648.db2.gz BHENGYAOBSGCGO-RYUDHWBXSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccnc(F)c2)C[N@H+]1C1CC1 ZINC000781131581 585791169 /nfs/dbraw/zinc/79/11/69/585791169.db2.gz ADBBAEDBGIDVHX-SECBINFHSA-N 1 1 248.305 2.245 20 30 BEEDMO CCCCCCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595911 585821162 /nfs/dbraw/zinc/82/11/62/585821162.db2.gz MIDJWGKDJLXDQU-GFCCVEGCSA-N 1 1 226.364 2.119 20 30 BEEDMO C#CCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000805746680 585835703 /nfs/dbraw/zinc/83/57/03/585835703.db2.gz FQZAFOYFDNXFHL-ZDUSSCGKSA-N 1 1 200.285 2.242 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784576807 585863824 /nfs/dbraw/zinc/86/38/24/585863824.db2.gz BJWKYRHXMUJNQS-ZDUSSCGKSA-N 1 1 239.359 2.428 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000785478141 585874689 /nfs/dbraw/zinc/87/46/89/585874689.db2.gz MBGDMAHQNXNZSG-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000785478141 585874690 /nfs/dbraw/zinc/87/46/90/585874690.db2.gz MBGDMAHQNXNZSG-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000785478141 585874691 /nfs/dbraw/zinc/87/46/91/585874691.db2.gz MBGDMAHQNXNZSG-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785480109 585874706 /nfs/dbraw/zinc/87/47/06/585874706.db2.gz DKGSZDCGMWXOBR-NSHDSACASA-N 1 1 242.363 2.408 20 30 BEEDMO C#CCCc1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000785584087 585876307 /nfs/dbraw/zinc/87/63/07/585876307.db2.gz JTXXKCURCOSMQN-QWRGUYRKSA-N 1 1 233.315 2.008 20 30 BEEDMO Cc1cc(C[N@@H+]2CCOCC[C@H]2C)ccc1C#N ZINC000785785472 585881032 /nfs/dbraw/zinc/88/10/32/585881032.db2.gz JNUKUBCXVBRZAI-CYBMUJFWSA-N 1 1 244.338 2.478 20 30 BEEDMO Cc1cc(C[NH+]2CC(O)(C(C)C)C2)ccc1C#N ZINC000785832840 585881837 /nfs/dbraw/zinc/88/18/37/585881837.db2.gz HJKOLDCBJHXEPZ-UHFFFAOYSA-N 1 1 244.338 2.069 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C/C=C(/C)C(=O)OC ZINC000785998210 585884883 /nfs/dbraw/zinc/88/48/83/585884883.db2.gz ZFJWQUOKHMCBSH-NXIHDVOMSA-N 1 1 223.316 2.146 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C/C=C(/C)C(=O)OC ZINC000785998209 585884913 /nfs/dbraw/zinc/88/49/13/585884913.db2.gz ZFJWQUOKHMCBSH-KGTBHZDVSA-N 1 1 223.316 2.146 20 30 BEEDMO C=CCC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000786102187 585887500 /nfs/dbraw/zinc/88/75/00/585887500.db2.gz SCMXOKZKRUGHAV-QWHCGFSZSA-N 1 1 236.359 2.243 20 30 BEEDMO C=CC[N@@H+](CCOC)Cc1ccc(F)nc1C ZINC000787288932 585905398 /nfs/dbraw/zinc/90/53/98/585905398.db2.gz FVNFVDFPKUIQOS-UHFFFAOYSA-N 1 1 238.306 2.164 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccc(F)nc1C ZINC000787288932 585905399 /nfs/dbraw/zinc/90/53/99/585905399.db2.gz FVNFVDFPKUIQOS-UHFFFAOYSA-N 1 1 238.306 2.164 20 30 BEEDMO C=CCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000789801138 585950305 /nfs/dbraw/zinc/95/03/05/585950305.db2.gz MCRBQTRNVOZHAX-LBPRGKRZSA-N 1 1 223.316 2.123 20 30 BEEDMO C=CCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000790278053 585962279 /nfs/dbraw/zinc/96/22/79/585962279.db2.gz BCHLYQHMNTUDMK-UHFFFAOYSA-N 1 1 232.331 2.455 20 30 BEEDMO C=CCC1(C(=O)OCCn2cc[nH+]c2C)CCC1 ZINC000791564409 585984211 /nfs/dbraw/zinc/98/42/11/585984211.db2.gz LTVSVUXSGDNWCP-UHFFFAOYSA-N 1 1 248.326 2.481 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792923981 586007164 /nfs/dbraw/zinc/00/71/64/586007164.db2.gz VZQPZMMBFVGJFT-STQMWFEESA-N 1 1 207.317 2.043 20 30 BEEDMO CC(C)[C@H]1CCCC(=NN2CC[NH+](C)CC2)C1 ZINC000794444911 586039955 /nfs/dbraw/zinc/03/99/55/586039955.db2.gz GYXWWULDSNSQML-ZDUSSCGKSA-N 1 1 237.391 2.436 20 30 BEEDMO C=CCNN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000794993604 586062627 /nfs/dbraw/zinc/06/26/27/586062627.db2.gz ZLQNIXDKXNLWSA-UHFFFAOYSA-N 1 1 229.327 2.024 20 30 BEEDMO C=CCNN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000794993604 586062628 /nfs/dbraw/zinc/06/26/28/586062628.db2.gz ZLQNIXDKXNLWSA-UHFFFAOYSA-N 1 1 229.327 2.024 20 30 BEEDMO C#CCC[N@H+](CCC)CCN1CCCCC1 ZINC000796460216 586104261 /nfs/dbraw/zinc/10/42/61/586104261.db2.gz ULNDAZSIWCQOEG-UHFFFAOYSA-N 1 1 222.376 2.208 20 30 BEEDMO C#CCCN(CCC)CC[NH+]1CCCCC1 ZINC000796460216 586104262 /nfs/dbraw/zinc/10/42/62/586104262.db2.gz ULNDAZSIWCQOEG-UHFFFAOYSA-N 1 1 222.376 2.208 20 30 BEEDMO C=CCC(C)(C)C(=O)OCCn1cc[nH+]c1C ZINC000796463628 586104429 /nfs/dbraw/zinc/10/44/29/586104429.db2.gz WHBXOBQBAIMVNP-UHFFFAOYSA-N 1 1 236.315 2.337 20 30 BEEDMO CCCCCCC[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796576190 586107583 /nfs/dbraw/zinc/10/75/83/586107583.db2.gz VRJLKZPIOIBNKF-ZIAGYGMSSA-N 1 1 243.391 2.429 20 30 BEEDMO C=CC[C@@H](CC)NC(=O)CCCn1cc[nH+]c1C ZINC000798554037 586144892 /nfs/dbraw/zinc/14/48/92/586144892.db2.gz 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C#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846109041 588257027 /nfs/dbraw/zinc/25/70/27/588257027.db2.gz CAADRDACMPEWGN-BETUJISGSA-N 1 1 233.261 2.365 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847006101 588301276 /nfs/dbraw/zinc/30/12/76/588301276.db2.gz VMPXKFVADQUXRL-GFCCVEGCSA-N 1 1 246.310 2.113 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847006101 588301277 /nfs/dbraw/zinc/30/12/77/588301277.db2.gz VMPXKFVADQUXRL-GFCCVEGCSA-N 1 1 246.310 2.113 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000847019024 588302101 /nfs/dbraw/zinc/30/21/01/588302101.db2.gz NOJDQBHTEILEDF-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2oc(C)nc2C)C1 ZINC000847019571 588302392 /nfs/dbraw/zinc/30/23/92/588302392.db2.gz RRDAVVGCPJWWCZ-GFCCVEGCSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000847022188 588302619 /nfs/dbraw/zinc/30/26/19/588302619.db2.gz SPKHSEADCDDRTA-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000847023050 588303265 /nfs/dbraw/zinc/30/32/65/588303265.db2.gz KTBPZQAGLWIVLS-IUODEOHRSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCCCCCCO)C1 ZINC000847025273 588303884 /nfs/dbraw/zinc/30/38/84/588303884.db2.gz NKDVONMMWPKSSJ-AWEZNQCLSA-N 1 1 223.360 2.274 20 30 BEEDMO CCCCNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848403618 588378229 /nfs/dbraw/zinc/37/82/29/588378229.db2.gz WVPPYLYRXMGLDL-CYBMUJFWSA-N 1 1 223.364 2.380 20 30 BEEDMO C=CCON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848412184 588380332 /nfs/dbraw/zinc/38/03/32/588380332.db2.gz KSSOKZBYWAMFKN-LBPRGKRZSA-N 1 1 208.305 2.193 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000848520281 588390775 /nfs/dbraw/zinc/39/07/75/588390775.db2.gz PVJVYMCPGZOUHZ-KWQFWETISA-N 1 1 247.273 2.352 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2(SC)CC2)C1 ZINC000848924073 588419360 /nfs/dbraw/zinc/41/93/60/588419360.db2.gz MZXZPXKOEDQITR-LLVKDONJSA-N 1 1 209.358 2.227 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000848924306 588421589 /nfs/dbraw/zinc/42/15/89/588421589.db2.gz PPVPHNWVHKFHRF-NEPJUHHUSA-N 1 1 209.358 2.085 20 30 BEEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc[nH]2)nn1 ZINC000850228486 588530758 /nfs/dbraw/zinc/53/07/58/588530758.db2.gz HIALJWOKYDTSGL-NSHDSACASA-N 1 1 245.330 2.033 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC)CC1CCCC1 ZINC000110072080 588610103 /nfs/dbraw/zinc/61/01/03/588610103.db2.gz PFVJMBPEQDMPKV-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC)CC1CCCC1 ZINC000110072080 588610104 /nfs/dbraw/zinc/61/01/04/588610104.db2.gz PFVJMBPEQDMPKV-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO C=C(C)C[N@@H+](CC)CC[C@@H]1COC(C)(C)O1 ZINC000851720798 588617244 /nfs/dbraw/zinc/61/72/44/588617244.db2.gz TZBJYEPUKDBXGF-GFCCVEGCSA-N 1 1 227.348 2.426 20 30 BEEDMO C=C(C)C[N@@H+](CC)CC[C@H]1COC(C)(C)O1 ZINC000851720799 588617346 /nfs/dbraw/zinc/61/73/46/588617346.db2.gz TZBJYEPUKDBXGF-LBPRGKRZSA-N 1 1 227.348 2.426 20 30 BEEDMO C=CC[N@H+](CC[C@@H]1COC(C)(C)O1)C(C)C ZINC000851730345 588619058 /nfs/dbraw/zinc/61/90/58/588619058.db2.gz CQIYYHNXNANMBY-GFCCVEGCSA-N 1 1 227.348 2.424 20 30 BEEDMO C=CC[N@@H+](Cc1cc(OC)no1)C(C)C ZINC000851731429 588619724 /nfs/dbraw/zinc/61/97/24/588619724.db2.gz PUHKNGORBKAXCZ-UHFFFAOYSA-N 1 1 210.277 2.080 20 30 BEEDMO C=CC[N@H+](Cc1cc(OC)no1)C(C)C ZINC000851731429 588619725 /nfs/dbraw/zinc/61/97/25/588619725.db2.gz PUHKNGORBKAXCZ-UHFFFAOYSA-N 1 1 210.277 2.080 20 30 BEEDMO C#CCOCC[N@@H+](C1CC1)C1CCCC1 ZINC000851763387 588624396 /nfs/dbraw/zinc/62/43/96/588624396.db2.gz RTKNSOVMFCDTGP-UHFFFAOYSA-N 1 1 207.317 2.043 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC[C@H](SCC)C1 ZINC000851768890 588625396 /nfs/dbraw/zinc/62/53/96/588625396.db2.gz OTEGORKLEMYRJT-ZDUSSCGKSA-N 1 1 241.400 2.244 20 30 BEEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccccn1 ZINC000851780711 588627333 /nfs/dbraw/zinc/62/73/33/588627333.db2.gz UMMQMADEIOURGX-CYBMUJFWSA-N 1 1 220.316 2.013 20 30 BEEDMO C#CCOCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000851801722 588630860 /nfs/dbraw/zinc/63/08/60/588630860.db2.gz RKMKHRLXKNVSCC-CYBMUJFWSA-N 1 1 247.338 2.425 20 30 BEEDMO C#CC[N@@H+](Cc1cc(OC)no1)C1CCCC1 ZINC000851809652 588632370 /nfs/dbraw/zinc/63/23/70/588632370.db2.gz WVLRKRGXNAHGEL-UHFFFAOYSA-N 1 1 234.299 2.061 20 30 BEEDMO C#CC[N@H+](Cc1cc(OC)no1)C1CCCC1 ZINC000851809652 588632371 /nfs/dbraw/zinc/63/23/71/588632371.db2.gz WVLRKRGXNAHGEL-UHFFFAOYSA-N 1 1 234.299 2.061 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000851813207 588632789 /nfs/dbraw/zinc/63/27/89/588632789.db2.gz QOAMGNZTHLCEHY-HNNXBMFYSA-N 1 1 244.338 2.177 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)CCSCC ZINC000851850191 588635087 /nfs/dbraw/zinc/63/50/87/588635087.db2.gz HQRUZMPDQHVZGS-LBPRGKRZSA-N 1 1 229.389 2.100 20 30 BEEDMO C#CCOCC[N@H+]1CCc2ccccc2C1(C)C ZINC000851892075 588641460 /nfs/dbraw/zinc/64/14/60/588641460.db2.gz INAOGQDBWWPRJL-UHFFFAOYSA-N 1 1 243.350 2.430 20 30 BEEDMO C[C@H]1CCOCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000851907738 588642676 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/nfs/dbraw/zinc/67/97/86/588679786.db2.gz MUDBMVJOHUYYTE-JTQLQIEISA-N 1 1 238.331 2.314 20 30 BEEDMO C=CC[N@@H+](C/C=C/Cl)[C@H](C)COC ZINC000852357600 588680020 /nfs/dbraw/zinc/68/00/20/588680020.db2.gz DYMLTDKDRYDLKC-BRAIEQGRSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000852410243 588680571 /nfs/dbraw/zinc/68/05/71/588680571.db2.gz KIJSKTYWHHKFQS-STQMWFEESA-N 1 1 222.332 2.203 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CCN2CCCC2)C1 ZINC000852410060 588680586 /nfs/dbraw/zinc/68/05/86/588680586.db2.gz GXPIMNKTUOODBQ-CQSZACIVSA-N 1 1 222.376 2.370 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412140 588681364 /nfs/dbraw/zinc/68/13/64/588681364.db2.gz ZACJVIUTCAREAR-QWHCGFSZSA-N 1 1 249.354 2.370 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CCC2OCCCO2)C1 ZINC000852410982 588681382 /nfs/dbraw/zinc/68/13/82/588681382.db2.gz QUWVTNHHTSDZSW-CYBMUJFWSA-N 1 1 239.359 2.428 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000852410177 588681462 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ZINC000852748506 588699659 /nfs/dbraw/zinc/69/96/59/588699659.db2.gz BPAIBPUXPBIPSE-LBPRGKRZSA-N 1 1 245.313 2.394 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@H]1CCC(F)(F)C1 ZINC000852748505 588699664 /nfs/dbraw/zinc/69/96/64/588699664.db2.gz BPAIBPUXPBIPSE-GFCCVEGCSA-N 1 1 245.313 2.394 20 30 BEEDMO C#CCC[N@H+](CCOC)CCC1CCC1 ZINC000852750032 588700025 /nfs/dbraw/zinc/70/00/25/588700025.db2.gz LUKRMGQYJYRMDE-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CC1(C)C ZINC000852774640 588701854 /nfs/dbraw/zinc/70/18/54/588701854.db2.gz YHEDPAOXIORPPH-NWDGAFQWSA-N 1 1 219.332 2.408 20 30 BEEDMO C=CCC[C@@H](OC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC000860621105 589110494 /nfs/dbraw/zinc/11/04/94/589110494.db2.gz DGCWVVCISQXWKD-CYBMUJFWSA-N 1 1 248.326 2.480 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000862349257 589202095 /nfs/dbraw/zinc/20/20/95/589202095.db2.gz VAMIAVLNALUSQT-SECBINFHSA-N 1 1 204.273 2.006 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000862349257 589202096 /nfs/dbraw/zinc/20/20/96/589202096.db2.gz VAMIAVLNALUSQT-SECBINFHSA-N 1 1 204.273 2.006 20 30 BEEDMO CCCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC000862359950 589203431 /nfs/dbraw/zinc/20/34/31/589203431.db2.gz UAJXGVZTSUQPLQ-UHFFFAOYSA-N 1 1 228.380 2.413 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000862399995 589209198 /nfs/dbraw/zinc/20/91/98/589209198.db2.gz JWTWSRDXWMMWMF-CYBMUJFWSA-N 1 1 231.343 2.262 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862442818 589213214 /nfs/dbraw/zinc/21/32/14/589213214.db2.gz ILCFPVVUXCVDOA-GFCCVEGCSA-N 1 1 244.294 2.440 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000862442954 589213335 /nfs/dbraw/zinc/21/33/35/589213335.db2.gz JDKSGYSFDFLMRM-ZDUSSCGKSA-N 1 1 239.322 2.180 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000862444602 589214145 /nfs/dbraw/zinc/21/41/45/589214145.db2.gz DABZOKMYCVDPCV-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000862444627 589214186 /nfs/dbraw/zinc/21/41/86/589214186.db2.gz DQQRAHRGMMGCFN-CQSZACIVSA-N 1 1 245.370 2.365 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2occc2C)C1 ZINC000862444588 589214194 /nfs/dbraw/zinc/21/41/94/589214194.db2.gz CSBHXBSXRCMFJQ-GFCCVEGCSA-N 1 1 203.285 2.433 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862444820 589214493 /nfs/dbraw/zinc/21/44/93/589214493.db2.gz HISVWXKVENMYGU-LBPRGKRZSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000862445634 589214883 /nfs/dbraw/zinc/21/48/83/589214883.db2.gz YOAKLLDTDDCLRC-QWHCGFSZSA-N 1 1 205.301 2.024 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000862448100 589215464 /nfs/dbraw/zinc/21/54/64/589215464.db2.gz WWIBKMQFWHTMKA-CYBMUJFWSA-N 1 1 240.350 2.416 20 30 BEEDMO C=C[C@H](C)ON=C1CC[N@@H+](C)C(C)(C)C1 ZINC000863122969 589260552 /nfs/dbraw/zinc/26/05/52/589260552.db2.gz AXRVLVUKFRBLGF-JTQLQIEISA-N 1 1 210.321 2.438 20 30 BEEDMO 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CC[C@@H](C)C[N@@H+](CC)CCO[C@@H](C)C#N ZINC000308833527 631892412 /nfs/dbraw/zinc/89/24/12/631892412.db2.gz VDGWMLVCDBVPNJ-NEPJUHHUSA-N 1 1 212.337 2.283 20 30 BEEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cnc(C)s1 ZINC000934511930 631892520 /nfs/dbraw/zinc/89/25/20/631892520.db2.gz WZKFDXTZQOPPPX-LLVKDONJSA-N 1 1 220.341 2.439 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cnc(C)s1 ZINC000934511930 631892524 /nfs/dbraw/zinc/89/25/24/631892524.db2.gz WZKFDXTZQOPPPX-LLVKDONJSA-N 1 1 220.341 2.439 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1CCOC(C)(C)C ZINC000934511209 631893381 /nfs/dbraw/zinc/89/33/81/631893381.db2.gz JRTNYVCKXQVYFA-GFCCVEGCSA-N 1 1 209.333 2.289 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000934516668 631897368 /nfs/dbraw/zinc/89/73/68/631897368.db2.gz NEUSQTFZQFNTTC-XQQFMLRXSA-N 1 1 207.317 2.042 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCn1ccnc1C ZINC000934515879 631897683 /nfs/dbraw/zinc/89/76/83/631897683.db2.gz ZSHITKCHQSIUGO-OAHLLOKOSA-N 1 1 245.370 2.459 20 30 BEEDMO 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N#Cc1cncc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000721581218 711651578 /nfs/dbraw/zinc/65/15/78/711651578.db2.gz MUIZGTHRXXZSPT-KBPBESRZSA-N 1 1 227.311 2.328 20 30 BEEDMO CC[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000721615591 711671264 /nfs/dbraw/zinc/67/12/64/711671264.db2.gz SBUBYPIDBYVRAM-CYBMUJFWSA-N 1 1 215.300 2.328 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001027719356 711733486 /nfs/dbraw/zinc/73/34/86/711733486.db2.gz HVFLRQJQPHALCT-GFCCVEGCSA-N 1 1 248.326 2.050 20 30 BEEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000453343676 711763975 /nfs/dbraw/zinc/76/39/75/711763975.db2.gz JHMHWNAZKKFZSC-YUTCNCBUSA-N 1 1 247.342 2.110 20 30 BEEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000878961628 711767698 /nfs/dbraw/zinc/76/76/98/711767698.db2.gz YRVCKBPXBPJZIE-VXGBXAGGSA-N 1 1 238.375 2.188 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(F)c(C)c2)C1 ZINC000895202375 711779979 /nfs/dbraw/zinc/77/99/79/711779979.db2.gz MRNZXOJEXDCVAR-LBPRGKRZSA-N 1 1 232.302 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BEEDMO CC1(C)CC[C@@H](C[N@H+]2CCC[C@H](C#N)C2)O1 ZINC000160371367 711807854 /nfs/dbraw/zinc/80/78/54/711807854.db2.gz CHZNVILSCJDKGV-NEPJUHHUSA-N 1 1 222.332 2.180 20 30 BEEDMO C=C(Cl)C[N@H+](CC)C[C@H]1CCCO1 ZINC000051555176 711826407 /nfs/dbraw/zinc/82/64/07/711826407.db2.gz ONUBZKANQMDZBY-SNVBAGLBSA-N 1 1 203.713 2.240 20 30 BEEDMO C=C(Cl)C[N@@H+](CC)C[C@H]1CCCO1 ZINC000051555176 711826408 /nfs/dbraw/zinc/82/64/08/711826408.db2.gz ONUBZKANQMDZBY-SNVBAGLBSA-N 1 1 203.713 2.240 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000591476914 711827793 /nfs/dbraw/zinc/82/77/93/711827793.db2.gz WZHMVDRNXHWKOH-CHWSQXEVSA-N 1 1 237.343 2.226 20 30 BEEDMO CCCCCCC[NH2+][C@H](C(=O)OC)C1CC1 ZINC000703748405 711877106 /nfs/dbraw/zinc/87/71/06/711877106.db2.gz MYHWBLBHGSBSID-LBPRGKRZSA-N 1 1 227.348 2.498 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2)C1 ZINC001032904365 711966679 /nfs/dbraw/zinc/96/66/79/711966679.db2.gz HUCDREMFCQANGK-CYBMUJFWSA-N 1 1 248.326 2.002 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001032901114 711967112 /nfs/dbraw/zinc/96/71/12/711967112.db2.gz NERYLJPSAAZGPX-UONOGXRCSA-N 1 1 248.370 2.061 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000700366441 711990302 /nfs/dbraw/zinc/99/03/02/711990302.db2.gz BIIYXJQRFLELCP-KOLCDFICSA-N 1 1 217.740 2.222 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cnc(C)o1)C(C)(C)C ZINC000700835179 712007777 /nfs/dbraw/zinc/00/77/77/712007777.db2.gz WXMVDMDUOPYLHK-LLVKDONJSA-N 1 1 206.289 2.121 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC)CC1CC=CC1 ZINC000700874897 712009144 /nfs/dbraw/zinc/00/91/44/712009144.db2.gz BFOZTWAAEBNMEF-UHFFFAOYSA-N 1 1 223.316 2.004 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC)CC1CC=CC1 ZINC000700874897 712009147 /nfs/dbraw/zinc/00/91/47/712009147.db2.gz BFOZTWAAEBNMEF-UHFFFAOYSA-N 1 1 223.316 2.004 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001033724843 712016389 /nfs/dbraw/zinc/01/63/89/712016389.db2.gz GKLKMFQMOVAWPY-GFCCVEGCSA-N 1 1 248.326 2.002 20 30 BEEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000701702595 712027807 /nfs/dbraw/zinc/02/78/07/712027807.db2.gz OBQDQRSAOXOZAM-KGLIPLIRSA-N 1 1 248.301 2.026 20 30 BEEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000701702595 712027810 /nfs/dbraw/zinc/02/78/10/712027810.db2.gz OBQDQRSAOXOZAM-KGLIPLIRSA-N 1 1 248.301 2.026 20 30 BEEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H](F)C2)cc1 ZINC000701697401 712028056 /nfs/dbraw/zinc/02/80/56/712028056.db2.gz CNWXUEBVWYMXGJ-ZDUSSCGKSA-N 1 1 248.301 2.371 20 30 BEEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000701697401 712028057 /nfs/dbraw/zinc/02/80/57/712028057.db2.gz CNWXUEBVWYMXGJ-ZDUSSCGKSA-N 1 1 248.301 2.371 20 30 BEEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001034103547 712040263 /nfs/dbraw/zinc/04/02/63/712040263.db2.gz CKNGBIDNOJQUGR-CYBMUJFWSA-N 1 1 248.326 2.050 20 30 BEEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000703198915 712067708 /nfs/dbraw/zinc/06/77/08/712067708.db2.gz CYHWTTGIRSJLGV-TZMCWYRMSA-N 1 1 242.322 2.403 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248.370 2.277 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCC)C1 ZINC001324570246 988876488 /nfs/dbraw/zinc/87/64/88/988876488.db2.gz DAAKCABOTZHEOR-CQSZACIVSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C(CC)CNC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001324634608 988897542 /nfs/dbraw/zinc/89/75/42/988897542.db2.gz BTTMZUYFWDFWRT-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C)cc2F)no1 ZINC001247612633 988946362 /nfs/dbraw/zinc/94/63/62/988946362.db2.gz JHPNKMKXVZXCEL-NSHDSACASA-N 1 1 245.257 2.207 20 30 BEEDMO C#CC[C@H]([NH3+])c1nc(-c2cccc(F)c2F)no1 ZINC001247609677 988946831 /nfs/dbraw/zinc/94/68/31/988946831.db2.gz MVZXVBHHYHKQAZ-VIFPVBQESA-N 1 1 249.220 2.038 20 30 BEEDMO C=CCC[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001514860082 988958591 /nfs/dbraw/zinc/95/85/91/988958591.db2.gz VHPDISUQISFGND-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001324968549 989039639 /nfs/dbraw/zinc/03/96/39/989039639.db2.gz WKEGIEVZFHPYCE-CQSZACIVSA-N 1 1 232.327 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374296759 /nfs/dbraw/zinc/29/67/59/374296759.db2.gz KXPLVRDZHWMABH-GFCCVEGCSA-N 1 1 218.300 2.266 20 30 BEEDMO CCO[C@H]1CC[N@@H+](CC2(C#N)CC2)C[C@H]1C ZINC000451544940 206108088 /nfs/dbraw/zinc/10/80/88/206108088.db2.gz QKYHLFJLNUIDSK-NEPJUHHUSA-N 1 1 222.332 2.037 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@@]1(CCC)COC ZINC000194926043 206112877 /nfs/dbraw/zinc/11/28/77/206112877.db2.gz ZFRFQGHNALYHPH-ZDUSSCGKSA-N 1 1 209.333 2.291 20 30 BEEDMO C=CC[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1 ZINC000459460495 206128936 /nfs/dbraw/zinc/12/89/36/206128936.db2.gz FQNBTXOPCDGCBV-UHFFFAOYSA-N 1 1 245.326 2.210 20 30 BEEDMO CC(C)(CC#N)C[NH2+]Cc1cscn1 ZINC000459697634 206137316 /nfs/dbraw/zinc/13/73/16/206137316.db2.gz QBOMAFJOAAFGCT-UHFFFAOYSA-N 1 1 209.318 2.173 20 30 BEEDMO OC[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267390961 183151027 /nfs/dbraw/zinc/15/10/27/183151027.db2.gz ORPJPRPWTWWDFP-CQSZACIVSA-N 1 1 249.741 2.148 20 30 BEEDMO OC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000151225196 183152264 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/nfs/dbraw/zinc/12/39/20/169123920.db2.gz CPLMUXQAKGEMBD-UHFFFAOYSA-N 1 1 245.370 2.380 20 30 BEEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000290797311 169124680 /nfs/dbraw/zinc/12/46/80/169124680.db2.gz OPVXFNCEMCYXFN-GFCCVEGCSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cnccc1C#N ZINC000290925401 169125566 /nfs/dbraw/zinc/12/55/66/169125566.db2.gz YCBGUTGLFDKCNX-GFCCVEGCSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccc(C#N)n1 ZINC000357774070 169129302 /nfs/dbraw/zinc/12/93/02/169129302.db2.gz IVDWXVTVOULYPK-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C#N)ccn1 ZINC000357804232 169129742 /nfs/dbraw/zinc/12/97/42/169129742.db2.gz LHMSMPNRFUIQTD-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000276748497 169130674 /nfs/dbraw/zinc/13/06/74/169130674.db2.gz KJNMXAHFMVOCAD-UHFFFAOYSA-N 1 1 205.305 2.129 20 30 BEEDMO CCC[N@H+]1CC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000299651477 169207301 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383881362 /nfs/dbraw/zinc/88/13/62/383881362.db2.gz PIOUGDMDCWTYNU-LBPRGKRZSA-N 1 1 244.338 2.255 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088102330 383881367 /nfs/dbraw/zinc/88/13/67/383881367.db2.gz PIOUGDMDCWTYNU-LBPRGKRZSA-N 1 1 244.338 2.255 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000298546433 383913336 /nfs/dbraw/zinc/91/33/36/383913336.db2.gz NPXFVWKLULJYNO-JKSUJKDBSA-N 1 1 243.350 2.425 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000298530004 383918053 /nfs/dbraw/zinc/91/80/53/383918053.db2.gz MDDVKACGXJTAJG-UHFFFAOYSA-N 1 1 244.338 2.359 20 30 BEEDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C#N)cs1 ZINC000334952753 383985683 /nfs/dbraw/zinc/98/56/83/383985683.db2.gz PKHGJPPCLUKOIU-RKDXNWHRSA-N 1 1 221.329 2.388 20 30 BEEDMO C[C@@H]1COCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334694096 383935863 /nfs/dbraw/zinc/93/58/63/383935863.db2.gz KGPLGYQXFLWJPU-NSHDSACASA-N 1 1 248.301 2.166 20 30 BEEDMO C[C@@H]1COCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334694096 383935872 /nfs/dbraw/zinc/93/58/72/383935872.db2.gz KGPLGYQXFLWJPU-NSHDSACASA-N 1 1 248.301 2.166 20 30 BEEDMO COC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000339294163 383951328 /nfs/dbraw/zinc/95/13/28/383951328.db2.gz VZCHEYJGKYMLOM-AWEZNQCLSA-N 1 1 230.311 2.087 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000298855996 384024238 /nfs/dbraw/zinc/02/42/38/384024238.db2.gz NYMFPKJEDPBBQU-CYBMUJFWSA-N 1 1 246.354 2.118 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCCC1 ZINC000221111892 384010846 /nfs/dbraw/zinc/01/08/46/384010846.db2.gz FMEVRWHTHPNGKM-UHFFFAOYSA-N 1 1 244.338 2.295 20 30 BEEDMO C=CCCCCC[NH2+]C(C)(C)C(=O)OC ZINC000278592625 384027923 /nfs/dbraw/zinc/02/79/23/384027923.db2.gz ZNFYLZHNEVDAKJ-UHFFFAOYSA-N 1 1 213.321 2.274 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccccc1 ZINC000049812470 384041961 /nfs/dbraw/zinc/04/19/61/384041961.db2.gz NIDXCKDTTPXXBW-LBPRGKRZSA-N 1 1 202.301 2.463 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccccc1 ZINC000049812470 384041966 /nfs/dbraw/zinc/04/19/66/384041966.db2.gz NIDXCKDTTPXXBW-LBPRGKRZSA-N 1 1 202.301 2.463 20 30 BEEDMO C=C(Cl)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000298893881 384077714 /nfs/dbraw/zinc/07/77/14/384077714.db2.gz LPJAYAITHRQYQA-NSHDSACASA-N 1 1 229.682 2.201 20 30 BEEDMO C=C(Cl)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000298893880 384078331 /nfs/dbraw/zinc/07/83/31/384078331.db2.gz LPJAYAITHRQYQA-LLVKDONJSA-N 1 1 229.682 2.201 20 30 BEEDMO C[C@@H](O)CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000310184240 384091619 /nfs/dbraw/zinc/09/16/19/384091619.db2.gz XCYLNKMHBMAANA-GFCCVEGCSA-N 1 1 232.327 2.151 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ncon1 ZINC000560468908 384155582 /nfs/dbraw/zinc/15/55/82/384155582.db2.gz OGMXBJPJEVLKOS-SNVBAGLBSA-N 1 1 207.277 2.173 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ncon1 ZINC000560468908 384155586 /nfs/dbraw/zinc/15/55/86/384155586.db2.gz OGMXBJPJEVLKOS-SNVBAGLBSA-N 1 1 207.277 2.173 20 30 BEEDMO C#CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377789079 533046171 /nfs/dbraw/zinc/04/61/71/533046171.db2.gz VAWODQNQTGOTDB-CHWSQXEVSA-N 1 1 219.328 2.043 20 30 BEEDMO C#CCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000375580229 533046215 /nfs/dbraw/zinc/04/62/15/533046215.db2.gz XWVVXAPBEBOWFC-UHFFFAOYSA-N 1 1 221.344 2.433 20 30 BEEDMO C#C[C@H](Nc1[nH+]cnc2[nH]ccc21)C(C)C ZINC000309647224 384191275 /nfs/dbraw/zinc/19/12/75/384191275.db2.gz WMCLKDWFLWDTHU-JTQLQIEISA-N 1 1 214.272 2.028 20 30 BEEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000336510488 384232545 /nfs/dbraw/zinc/23/25/45/384232545.db2.gz BFVQTTOYHRCBPQ-CQSZACIVSA-N 1 1 230.311 2.087 20 30 BEEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1O ZINC000336589307 384237973 /nfs/dbraw/zinc/23/79/73/384237973.db2.gz FYKANPGZWGEMJW-ZFWWWQNUSA-N 1 1 244.338 2.069 20 30 BEEDMO CC[N@H+](CCOC)Cc1ccccc1C#N ZINC000042337929 384214501 /nfs/dbraw/zinc/21/45/01/384214501.db2.gz YULWJVLREAGMIX-UHFFFAOYSA-N 1 1 218.300 2.027 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccccc1C#N ZINC000042337929 384214507 /nfs/dbraw/zinc/21/45/07/384214507.db2.gz YULWJVLREAGMIX-UHFFFAOYSA-N 1 1 218.300 2.027 20 30 BEEDMO CO[C@@H]1CC[N@@H+](CCCCC#N)[C@@H](C)C1 ZINC000308773123 384249260 /nfs/dbraw/zinc/24/92/60/384249260.db2.gz YFFDIEAWGVAITG-NWDGAFQWSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000560618680 384264328 /nfs/dbraw/zinc/26/43/28/384264328.db2.gz KERZVPAZLXODAE-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000560618680 384264334 /nfs/dbraw/zinc/26/43/34/384264334.db2.gz KERZVPAZLXODAE-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000560618680 384264338 /nfs/dbraw/zinc/26/43/38/384264338.db2.gz KERZVPAZLXODAE-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cn[nH]c1 ZINC000229884388 384281544 /nfs/dbraw/zinc/28/15/44/384281544.db2.gz ZMAFZOMWZORZRM-JTQLQIEISA-N 1 1 226.283 2.132 20 30 BEEDMO C=CCCCCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000278898425 384286918 /nfs/dbraw/zinc/28/69/18/384286918.db2.gz RGMWGYBUTCHNPZ-LLVKDONJSA-N 1 1 222.336 2.212 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(C#N)cc1OC ZINC000159668977 384347371 /nfs/dbraw/zinc/34/73/71/384347371.db2.gz UXIFNSLSORBOTD-UHFFFAOYSA-N 1 1 247.298 2.156 20 30 BEEDMO CCOC(=O)C[N@H+](CCCC#N)C1CCCC1 ZINC000083244232 384367556 /nfs/dbraw/zinc/36/75/56/384367556.db2.gz OEOQGEYVKLWWHN-UHFFFAOYSA-N 1 1 238.331 2.098 20 30 BEEDMO CCOC(=O)C[N@@H+](CCCC#N)C1CCCC1 ZINC000083244232 384367562 /nfs/dbraw/zinc/36/75/62/384367562.db2.gz OEOQGEYVKLWWHN-UHFFFAOYSA-N 1 1 238.331 2.098 20 30 BEEDMO N#Cc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148637 384393111 /nfs/dbraw/zinc/39/31/11/384393111.db2.gz YQFOSLSYHCBPSL-OAHLLOKOSA-N 1 1 243.354 2.262 20 30 BEEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccsc1 ZINC000490898742 384474702 /nfs/dbraw/zinc/47/47/02/384474702.db2.gz LUIUCHMGVFBTTG-LBPRGKRZSA-N 1 1 249.335 2.003 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccsc1 ZINC000490898742 384474707 /nfs/dbraw/zinc/47/47/07/384474707.db2.gz LUIUCHMGVFBTTG-LBPRGKRZSA-N 1 1 249.335 2.003 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1CC ZINC000249403615 384505660 /nfs/dbraw/zinc/50/56/60/384505660.db2.gz CLJVWXDWHYEZCM-RWMBFGLXSA-N 1 1 211.349 2.434 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249112561 384490020 /nfs/dbraw/zinc/49/00/20/384490020.db2.gz RLJDBLZPUIFZRZ-NWDGAFQWSA-N 1 1 225.332 2.084 20 30 BEEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335867797 384530549 /nfs/dbraw/zinc/53/05/49/384530549.db2.gz LFSFHNCKELQPJR-ZDUSSCGKSA-N 1 1 244.338 2.221 20 30 BEEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC001645156803 1172639595 /nfs/dbraw/zinc/63/95/95/1172639595.db2.gz FGSKRYMITHHTHJ-GFCCVEGCSA-N 1 1 202.301 2.315 20 30 BEEDMO C=CC[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000151187229 384550922 /nfs/dbraw/zinc/55/09/22/384550922.db2.gz NRCUWTRJUXLKGA-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CC[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000151187229 384550928 /nfs/dbraw/zinc/55/09/28/384550928.db2.gz NRCUWTRJUXLKGA-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO Cc1[nH+]ccn1CCCN(CC#N)C1CCCC1 ZINC000161974903 384551561 /nfs/dbraw/zinc/55/15/61/384551561.db2.gz ZMOXQBWMAUJSCP-UHFFFAOYSA-N 1 1 246.358 2.350 20 30 BEEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000564699624 384557818 /nfs/dbraw/zinc/55/78/18/384557818.db2.gz QFVWGFITSCBKCO-WDEREUQCSA-N 1 1 247.367 2.279 20 30 BEEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000564699624 384557820 /nfs/dbraw/zinc/55/78/20/384557820.db2.gz QFVWGFITSCBKCO-WDEREUQCSA-N 1 1 247.367 2.279 20 30 BEEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000076735393 384558833 /nfs/dbraw/zinc/55/88/33/384558833.db2.gz VVZGQIHMUIDILV-ZDUSSCGKSA-N 1 1 238.375 2.143 20 30 BEEDMO C=CCCC[N@H+](CCO)Cc1ccccc1OC ZINC000117878804 384609532 /nfs/dbraw/zinc/60/95/32/384609532.db2.gz KLPBXIBDMVKPOX-UHFFFAOYSA-N 1 1 249.354 2.456 20 30 BEEDMO C[N@@H+](CCCO)CCCCC(C)(C)C#N ZINC000300813149 384591553 /nfs/dbraw/zinc/59/15/53/384591553.db2.gz LIXKLJLFHDAKDR-UHFFFAOYSA-N 1 1 212.337 2.021 20 30 BEEDMO CC[N@H+](CCC#N)CCc1ccccc1 ZINC000042247895 384634573 /nfs/dbraw/zinc/63/45/73/384634573.db2.gz JHZWOCWMVOGEMF-UHFFFAOYSA-N 1 1 202.301 2.465 20 30 BEEDMO CC[N@@H+](CCC#N)CCc1ccccc1 ZINC000042247895 384634576 /nfs/dbraw/zinc/63/45/76/384634576.db2.gz JHZWOCWMVOGEMF-UHFFFAOYSA-N 1 1 202.301 2.465 20 30 BEEDMO C[N@@H+](CCCCC#N)CCC(=O)OC(C)(C)C ZINC000150824531 384638059 /nfs/dbraw/zinc/63/80/59/384638059.db2.gz DYCSORKZEHQOFL-UHFFFAOYSA-N 1 1 240.347 2.344 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCCC(=O)OC(C)(C)C ZINC000491774713 384647750 /nfs/dbraw/zinc/64/77/50/384647750.db2.gz AUKMMQYXEKAQMM-GFCCVEGCSA-N 1 1 239.359 2.452 20 30 BEEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000155092858 384690617 /nfs/dbraw/zinc/69/06/17/384690617.db2.gz RMVAWCFYDHPNEO-OAHLLOKOSA-N 1 1 229.323 2.473 20 30 BEEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000155092858 384690620 /nfs/dbraw/zinc/69/06/20/384690620.db2.gz RMVAWCFYDHPNEO-OAHLLOKOSA-N 1 1 229.323 2.473 20 30 BEEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CC(C)(C)O ZINC000155393153 384709615 /nfs/dbraw/zinc/70/96/15/384709615.db2.gz IHWRDSMFLIYCRG-UHFFFAOYSA-N 1 1 249.329 2.270 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000491425737 384789617 /nfs/dbraw/zinc/78/96/17/384789617.db2.gz BYTICIURTXQAQW-JTQLQIEISA-N 1 1 249.310 2.130 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000491815817 384836496 /nfs/dbraw/zinc/83/64/96/384836496.db2.gz MADNFCCTDVEKSZ-SNVBAGLBSA-N 1 1 249.285 2.146 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000491815817 384836504 /nfs/dbraw/zinc/83/65/04/384836504.db2.gz MADNFCCTDVEKSZ-SNVBAGLBSA-N 1 1 249.285 2.146 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000491070564 384807123 /nfs/dbraw/zinc/80/71/23/384807123.db2.gz DFYWVCACKFJWCW-UHFFFAOYSA-N 1 1 241.338 2.486 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cn2cc(C)ccc2n1 ZINC000491070564 384807130 /nfs/dbraw/zinc/80/71/30/384807130.db2.gz DFYWVCACKFJWCW-UHFFFAOYSA-N 1 1 241.338 2.486 20 30 BEEDMO Cc1c[nH]nc1C[NH2+]CC(C)(C)CCC#N ZINC000336670006 384814961 /nfs/dbraw/zinc/81/49/61/384814961.db2.gz GQDTYKVAYXFOEB-UHFFFAOYSA-N 1 1 220.320 2.138 20 30 BEEDMO C#CC[N@H+](CC[C@@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491821881 384874843 /nfs/dbraw/zinc/87/48/43/384874843.db2.gz YUBWUECHWYDWJL-CZUORRHYSA-N 1 1 243.350 2.380 20 30 BEEDMO CN(CC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174944901 384853798 /nfs/dbraw/zinc/85/37/98/384853798.db2.gz CDEUVTGKNHMUOI-HNNXBMFYSA-N 1 1 243.354 2.106 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000491440297 384856534 /nfs/dbraw/zinc/85/65/34/384856534.db2.gz OICADSWUYRAEOI-LLVKDONJSA-N 1 1 228.295 2.020 20 30 BEEDMO CC[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356071098 384949163 /nfs/dbraw/zinc/94/91/63/384949163.db2.gz ZNEXRWKLQQHXMR-MRVPVSSYSA-N 1 1 209.318 2.245 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356071098 384949168 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ZINC000157427617 385166729 /nfs/dbraw/zinc/16/67/29/385166729.db2.gz WWAIXWLQRMKXDJ-UHFFFAOYSA-N 1 1 221.275 2.289 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000644784662 385176601 /nfs/dbraw/zinc/17/66/01/385176601.db2.gz DQSBWGIKKDTCTG-TZMCWYRMSA-N 1 1 247.338 2.207 20 30 BEEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCC1 ZINC000157461290 385180873 /nfs/dbraw/zinc/18/08/73/385180873.db2.gz XASYBJVEYVZXIR-UHFFFAOYSA-N 1 1 238.375 2.287 20 30 BEEDMO CC#CCC[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000157576404 385219533 /nfs/dbraw/zinc/21/95/33/385219533.db2.gz JXZGWHLQTCVFTB-LBPRGKRZSA-N 1 1 244.329 2.061 20 30 BEEDMO Cc1cnc(CC[N@@H+](C)CCCC#N)s1 ZINC000157612410 385227794 /nfs/dbraw/zinc/22/77/94/385227794.db2.gz YVJDCNQCQHCNRW-UHFFFAOYSA-N 1 1 223.345 2.230 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247260486 385308027 /nfs/dbraw/zinc/30/80/27/385308027.db2.gz VGOLDMMNNXXQPU-VXGBXAGGSA-N 1 1 235.352 2.269 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000131197554 385315628 /nfs/dbraw/zinc/31/56/28/385315628.db2.gz PWPGLTVMYGEAQH-UHFFFAOYSA-N 1 1 242.322 2.337 20 30 BEEDMO COC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000307765149 385259886 /nfs/dbraw/zinc/25/98/86/385259886.db2.gz PDPCOKJKMRDAKM-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000491633646 385262498 /nfs/dbraw/zinc/26/24/98/385262498.db2.gz SLFWHACTCKXBLK-LBPRGKRZSA-N 1 1 245.322 2.301 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000491633646 385262503 /nfs/dbraw/zinc/26/25/03/385262503.db2.gz SLFWHACTCKXBLK-LBPRGKRZSA-N 1 1 245.322 2.301 20 30 BEEDMO CC(C)(O)C[N@@H+](Cc1ccccc1C#N)C1CC1 ZINC000189956610 385338064 /nfs/dbraw/zinc/33/80/64/385338064.db2.gz HBJZWELUDAXCHM-UHFFFAOYSA-N 1 1 244.338 2.294 20 30 BEEDMO C#CC[N@H+](CC1(O)CCC(C)CC1)C1CC1 ZINC000491315589 385340650 /nfs/dbraw/zinc/34/06/50/385340650.db2.gz OGNSMSFRPKSZFM-UHFFFAOYSA-N 1 1 221.344 2.025 20 30 BEEDMO COc1cc(C)[nH+]c(CN2CCC(C#N)CC2)c1 ZINC000168887514 385391762 /nfs/dbraw/zinc/39/17/62/385391762.db2.gz XRLPOUKTZLTPFH-UHFFFAOYSA-N 1 1 245.326 2.134 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000168938083 385393962 /nfs/dbraw/zinc/39/39/62/385393962.db2.gz SOFIZKLCYMPJAS-UHFFFAOYSA-N 1 1 233.271 2.234 20 30 BEEDMO CO[C@@H](C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000182184867 385433276 /nfs/dbraw/zinc/43/32/76/385433276.db2.gz KSSKQTDXADQWSF-NSHDSACASA-N 1 1 212.337 2.283 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(CC)cn1 ZINC000411767235 385606368 /nfs/dbraw/zinc/60/63/68/385606368.db2.gz FLHYVSOOIYOHDU-UHFFFAOYSA-N 1 1 202.301 2.099 20 30 BEEDMO CC#CC[N@H+](C)Cc1ccc(CC)cn1 ZINC000411767235 385606374 /nfs/dbraw/zinc/60/63/74/385606374.db2.gz FLHYVSOOIYOHDU-UHFFFAOYSA-N 1 1 202.301 2.099 20 30 BEEDMO CC(C)(C)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000593941961 385590245 /nfs/dbraw/zinc/59/02/45/385590245.db2.gz CRILSSPXPRCRPY-SECBINFHSA-N 1 1 236.319 2.451 20 30 BEEDMO CC(C)(C)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000593941962 385590460 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385691570 /nfs/dbraw/zinc/69/15/70/385691570.db2.gz IXKARIUWFRGKLM-LLVKDONJSA-N 1 1 220.316 2.471 20 30 BEEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000336654029 385718551 /nfs/dbraw/zinc/71/85/51/385718551.db2.gz JWSAICZUJCCLSZ-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cc(C)ns1 ZINC001645271998 1172648857 /nfs/dbraw/zinc/64/88/57/1172648857.db2.gz IHDXUAIDBBFGKK-UHFFFAOYSA-N 1 1 208.330 2.295 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C)ns1 ZINC001645271998 1172648860 /nfs/dbraw/zinc/64/88/60/1172648860.db2.gz IHDXUAIDBBFGKK-UHFFFAOYSA-N 1 1 208.330 2.295 20 30 BEEDMO C=CCCC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000309665355 385775659 /nfs/dbraw/zinc/77/56/59/385775659.db2.gz SZXDPEIUZIXKTQ-JQWIXIFHSA-N 1 1 225.332 2.272 20 30 BEEDMO CSCCC[N@@H+](C)CC(C)(C)C#N ZINC000336654024 385719360 /nfs/dbraw/zinc/71/93/60/385719360.db2.gz MXVXBHOOFHRWSZ-UHFFFAOYSA-N 1 1 200.351 2.221 20 30 BEEDMO CC[C@@]1(C)COCC[N@H+]1C[C@H](C)CCC#N ZINC000602614708 385809776 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CC#CC[N@H+](C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000292995105 386649403 /nfs/dbraw/zinc/64/94/03/386649403.db2.gz CKRYTRUJBVWRJX-NSHDSACASA-N 1 1 249.310 2.391 20 30 BEEDMO C=CC[C@H](C)Nc1[nH+]cnc2[nH]ccc21 ZINC000265321409 386669079 /nfs/dbraw/zinc/66/90/79/386669079.db2.gz ISPVEJBKFJMLGP-QMMMGPOBSA-N 1 1 202.261 2.334 20 30 BEEDMO C=CCCC[C@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000192862707 386696651 /nfs/dbraw/zinc/69/66/51/386696651.db2.gz SVKRYSRZPQJAAS-QWRGUYRKSA-N 1 1 213.321 2.272 20 30 BEEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334773404 386824289 /nfs/dbraw/zinc/82/42/89/386824289.db2.gz SKNRRIACCLENSI-NWDGAFQWSA-N 1 1 238.375 2.140 20 30 BEEDMO C=CC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000334749298 386814951 /nfs/dbraw/zinc/81/49/51/386814951.db2.gz AHRMGLKJRGSOQB-RYUDHWBXSA-N 1 1 207.317 2.206 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC)cc1 ZINC000052039485 386872783 /nfs/dbraw/zinc/87/27/83/386872783.db2.gz REJPHDNNYKYDFT-UHFFFAOYSA-N 1 1 203.285 2.150 20 30 BEEDMO C=C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000341945512 387000627 /nfs/dbraw/zinc/00/06/27/387000627.db2.gz OWYOSBXOKPTTOC-GXTWGEPZSA-N 1 1 246.354 2.370 20 30 BEEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1 ZINC000399021662 387042599 /nfs/dbraw/zinc/04/25/99/387042599.db2.gz FITOMLDVJDPEKH-HNNXBMFYSA-N 1 1 244.338 2.099 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cncnc1OC ZINC000648029526 387046745 /nfs/dbraw/zinc/04/67/45/387046745.db2.gz KCISOSVHNCUSMQ-GFCCVEGCSA-N 1 1 233.315 2.026 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cncnc1OC ZINC000648029526 387046749 /nfs/dbraw/zinc/04/67/49/387046749.db2.gz KCISOSVHNCUSMQ-GFCCVEGCSA-N 1 1 233.315 2.026 20 30 BEEDMO COCCCOc1cccc(C[NH2+]CCC#N)c1 ZINC000425961002 387050708 /nfs/dbraw/zinc/05/07/08/387050708.db2.gz ZZHRFRUWAXPFLK-UHFFFAOYSA-N 1 1 248.326 2.105 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccno1)c1ccc(C#N)cc1 ZINC000223665189 387060369 /nfs/dbraw/zinc/06/03/69/387060369.db2.gz ORGXSKGXYADBAD-SNVBAGLBSA-N 1 1 227.267 2.397 20 30 BEEDMO CN1CCC[C@H]1C[N@@H+](C)CC(C)(C)CCC#N ZINC000421413198 387073937 /nfs/dbraw/zinc/07/39/37/387073937.db2.gz VYVIQSHJWTZDHF-ZDUSSCGKSA-N 1 1 237.391 2.342 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000186761359 387132571 /nfs/dbraw/zinc/13/25/71/387132571.db2.gz QSXMWVYZQXWISB-GFCCVEGCSA-N 1 1 238.375 2.141 20 30 BEEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000228795483 387113771 /nfs/dbraw/zinc/11/37/71/387113771.db2.gz VFHQMBDQRXXMML-WCQYABFASA-N 1 1 244.342 2.156 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423328049 387169811 /nfs/dbraw/zinc/16/98/11/387169811.db2.gz RWLVHFZFNSJHMW-DGCLKSJQSA-N 1 1 210.365 2.448 20 30 BEEDMO Cc1occc1C[NH2+]CC1(C#N)CCC1 ZINC000418136055 387170259 /nfs/dbraw/zinc/17/02/59/387170259.db2.gz BXUHCFVHDPNXMX-UHFFFAOYSA-N 1 1 204.273 2.372 20 30 BEEDMO C=CCCCN(C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000571819394 387178148 /nfs/dbraw/zinc/17/81/48/387178148.db2.gz YJCVOHLKKPUKSQ-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000571970927 387212228 /nfs/dbraw/zinc/21/22/28/387212228.db2.gz WVLPBSKIRUEMGK-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000571970927 387212233 /nfs/dbraw/zinc/21/22/33/387212233.db2.gz WVLPBSKIRUEMGK-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CC[C@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828272 387215725 /nfs/dbraw/zinc/21/57/25/387215725.db2.gz RCMDGFLEFWIZFJ-ASHKBJFXSA-N 1 1 231.405 2.286 20 30 BEEDMO CCN[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423381112 387262782 /nfs/dbraw/zinc/26/27/82/387262782.db2.gz HRMUCKDIYNFWDJ-PNESKVBLSA-N 1 1 223.364 2.046 20 30 BEEDMO CCCC[N@@H+](CCOC)Cc1cc(C#N)n(C)c1 ZINC000191350480 387384003 /nfs/dbraw/zinc/38/40/03/387384003.db2.gz LEFJHJMXHWQELQ-UHFFFAOYSA-N 1 1 249.358 2.145 20 30 BEEDMO N#Cc1cc(F)ccc1C[NH+]1CCCC1 ZINC000103138520 387369503 /nfs/dbraw/zinc/36/95/03/387369503.db2.gz QKHBWQZEEWLQJV-UHFFFAOYSA-N 1 1 204.248 2.293 20 30 BEEDMO N#CCCNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000572357154 387344174 /nfs/dbraw/zinc/34/41/74/387344174.db2.gz FVEHELOWVOBEIG-AWEZNQCLSA-N 1 1 235.375 2.287 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@@H]1O ZINC000352661763 387425478 /nfs/dbraw/zinc/42/54/78/387425478.db2.gz UZAMJOYHQSAXBO-RYUDHWBXSA-N 1 1 224.348 2.162 20 30 BEEDMO CC#CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000270008668 387425665 /nfs/dbraw/zinc/42/56/65/387425665.db2.gz XOIKDIGCKNKPAP-INIZCTEOSA-N 1 1 243.350 2.283 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccc(C)o1 ZINC000270635326 387433296 /nfs/dbraw/zinc/43/32/96/387433296.db2.gz QXZDPBRZILIPIY-UHFFFAOYSA-N 1 1 221.300 2.060 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)[nH]1 ZINC000272761698 387457915 /nfs/dbraw/zinc/45/79/15/387457915.db2.gz QJFPPQFMOIJWRC-UHFFFAOYSA-N 1 1 236.315 2.199 20 30 BEEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000191378271 387387820 /nfs/dbraw/zinc/38/78/20/387387820.db2.gz CTBMCHCWESTEBH-ZDUSSCGKSA-N 1 1 249.383 2.224 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000347337613 387388406 /nfs/dbraw/zinc/38/84/06/387388406.db2.gz MCUDHPIIUMGITN-UHFFFAOYSA-N 1 1 232.327 2.335 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(=C)CC1 ZINC000264459218 387390280 /nfs/dbraw/zinc/39/02/80/387390280.db2.gz KABIFTQXGAVCEL-UHFFFAOYSA-N 1 1 236.359 2.063 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000267425715 387410152 /nfs/dbraw/zinc/41/01/52/387410152.db2.gz ATBLSAZBJGGOHX-UHFFFAOYSA-N 1 1 249.285 2.189 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cccc(Cl)n1 ZINC000267312948 387410561 /nfs/dbraw/zinc/41/05/61/387410561.db2.gz MWKRSTYPYXDZJG-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(Cl)n1 ZINC000267312948 387410566 /nfs/dbraw/zinc/41/05/66/387410566.db2.gz MWKRSTYPYXDZJG-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO C=CCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000515671643 387411126 /nfs/dbraw/zinc/41/11/26/387411126.db2.gz QNKPWCTWJMVKTB-AWEZNQCLSA-N 1 1 244.338 2.044 20 30 BEEDMO C=CCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000515671643 387411131 /nfs/dbraw/zinc/41/11/31/387411131.db2.gz QNKPWCTWJMVKTB-AWEZNQCLSA-N 1 1 244.338 2.044 20 30 BEEDMO C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268036548 387414033 /nfs/dbraw/zinc/41/40/33/387414033.db2.gz OAPHXXUNQWPQDQ-LBPRGKRZSA-N 1 1 203.260 2.248 20 30 BEEDMO C=CCOc1ccccc1CN[C@H]1CC[N@@H+](C)C1 ZINC000042545637 387494022 /nfs/dbraw/zinc/49/40/22/387494022.db2.gz VTUBQCGMLVEULJ-AWEZNQCLSA-N 1 1 246.354 2.045 20 30 BEEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](C)C1 ZINC000042545637 387494027 /nfs/dbraw/zinc/49/40/27/387494027.db2.gz VTUBQCGMLVEULJ-AWEZNQCLSA-N 1 1 246.354 2.045 20 30 BEEDMO COC1(C[N@@H+](C)C[C@H](C)C#N)CCCCC1 ZINC000361567191 387497087 /nfs/dbraw/zinc/49/70/87/387497087.db2.gz STGQVSAMCZASOD-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO COC1(C[N@@H+](C)C[C@@H](C)C#N)CCCCC1 ZINC000361567192 387497301 /nfs/dbraw/zinc/49/73/01/387497301.db2.gz STGQVSAMCZASOD-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCOC1 ZINC000352865560 387514746 /nfs/dbraw/zinc/51/47/46/387514746.db2.gz BNWYLITUTVOPDB-NSHDSACASA-N 1 1 248.301 2.166 20 30 BEEDMO C=C[C@](C)(CC)C(=O)NCCCn1cc[nH+]c1C ZINC000276212660 387520585 /nfs/dbraw/zinc/52/05/85/387520585.db2.gz WNTYBILUQMBDOA-CQSZACIVSA-N 1 1 249.358 2.300 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1CC[C@H](O)CC1 ZINC000276992626 387524430 /nfs/dbraw/zinc/52/44/30/387524430.db2.gz NHGSLNZCTMURCP-WKILWMFISA-N 1 1 243.350 2.273 20 30 BEEDMO C=C(CC)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000425924958 387533905 /nfs/dbraw/zinc/53/39/05/387533905.db2.gz UQLOZYYJZLYQEJ-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C[C@@H](C[NH+](C)C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000168596491 387537953 /nfs/dbraw/zinc/53/79/53/387537953.db2.gz JPZLYPQRJVVRNN-RYUDHWBXSA-N 1 1 231.343 2.159 20 30 BEEDMO C=CCCCCC[N@H+]1CCn2nc(C)nc2C1 ZINC000278479310 387541747 /nfs/dbraw/zinc/54/17/47/387541747.db2.gz HNIMHJUMOUXNGZ-UHFFFAOYSA-N 1 1 234.347 2.149 20 30 BEEDMO C=CCCCCC[N@@H+]1CCn2nc(C)nc2C1 ZINC000278479310 387541755 /nfs/dbraw/zinc/54/17/55/387541755.db2.gz HNIMHJUMOUXNGZ-UHFFFAOYSA-N 1 1 234.347 2.149 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464484 387542268 /nfs/dbraw/zinc/54/22/68/387542268.db2.gz JJHFKEZOOORYPV-LLVKDONJSA-N 1 1 233.315 2.312 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H]1O ZINC000270220040 387590690 /nfs/dbraw/zinc/59/06/90/387590690.db2.gz YZVLNFAABWWRRS-GJZGRUSLSA-N 1 1 244.338 2.151 20 30 BEEDMO CCCn1cc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000123714517 387591436 /nfs/dbraw/zinc/59/14/36/387591436.db2.gz NGEDCCDWQRYMOQ-UHFFFAOYSA-N 1 1 232.331 2.029 20 30 BEEDMO CC1=C[C@H](C)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000430267119 387602174 /nfs/dbraw/zinc/60/21/74/387602174.db2.gz JBECMHRGIWFHHN-AAEUAGOBSA-N 1 1 217.316 2.328 20 30 BEEDMO CC1=C[C@H](C)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000430267119 387602176 /nfs/dbraw/zinc/60/21/76/387602176.db2.gz JBECMHRGIWFHHN-AAEUAGOBSA-N 1 1 217.316 2.328 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430291883 387609027 /nfs/dbraw/zinc/60/90/27/387609027.db2.gz VXYLPFDPJVBXNB-CQSZACIVSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC[C@H]1[N@@H+](Cc2cnnn2C)CCCC1(C)C ZINC000278659371 387546203 /nfs/dbraw/zinc/54/62/03/387546203.db2.gz KOBDLFZJAURIPC-CYBMUJFWSA-N 1 1 248.374 2.382 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278874440 387556049 /nfs/dbraw/zinc/55/60/49/387556049.db2.gz ONTAIGIERZACIE-GFCCVEGCSA-N 1 1 248.301 2.087 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278874440 387556052 /nfs/dbraw/zinc/55/60/52/387556052.db2.gz ONTAIGIERZACIE-GFCCVEGCSA-N 1 1 248.301 2.087 20 30 BEEDMO C=C(C)C[N@H+](CC)CC1(CC(=O)OC)CC1 ZINC000440715766 387681442 /nfs/dbraw/zinc/68/14/42/387681442.db2.gz QZMGPCPSXXGAAD-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO COC[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000452040552 387708995 /nfs/dbraw/zinc/70/89/95/387708995.db2.gz QPRCQUZMAITXLC-LBPRGKRZSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452087418 387731437 /nfs/dbraw/zinc/73/14/37/387731437.db2.gz YJQSCSJROJBOQI-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)CO ZINC000294664616 387812134 /nfs/dbraw/zinc/81/21/34/387812134.db2.gz AKQUCAFLOLHQTI-UHFFFAOYSA-N 1 1 232.327 2.009 20 30 BEEDMO C=CC[N@H+](CCCC(=O)NC)Cc1ccccc1 ZINC000564035653 387804353 /nfs/dbraw/zinc/80/43/53/387804353.db2.gz WZYYEPBUXSMHLV-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000353209624 387759032 /nfs/dbraw/zinc/75/90/32/387759032.db2.gz ZRSKCWVGRYHUPB-JTQLQIEISA-N 1 1 236.290 2.164 20 30 BEEDMO N#CCCCC[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000422972092 387821083 /nfs/dbraw/zinc/82/10/83/387821083.db2.gz KPMWAEGQULRLAC-UONOGXRCSA-N 1 1 229.327 2.415 20 30 BEEDMO CC(C)[C@H](CN[C@@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442709967 387826791 /nfs/dbraw/zinc/82/67/91/387826791.db2.gz BMPZJHOQZIZQFE-ZNMIVQPWSA-N 1 1 249.402 2.389 20 30 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C#CC[N@H+](CC#CC)CC[C@H](O)c1ccccc1 ZINC000491694624 388311769 /nfs/dbraw/zinc/31/17/69/388311769.db2.gz VZGNEHAKHMMJDW-INIZCTEOSA-N 1 1 241.334 2.069 20 30 BEEDMO C#CC[N@@H+](CC#CC)CC[C@H](O)c1ccccc1 ZINC000491694624 388311770 /nfs/dbraw/zinc/31/17/70/388311770.db2.gz VZGNEHAKHMMJDW-INIZCTEOSA-N 1 1 241.334 2.069 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000491702285 388312881 /nfs/dbraw/zinc/31/28/81/388312881.db2.gz RABVOVOKLHTGEZ-JTQLQIEISA-N 1 1 232.283 2.357 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCOc1ccccc1OC ZINC000491710755 388313854 /nfs/dbraw/zinc/31/38/54/388313854.db2.gz VCDGZSVLHQXMKA-UHFFFAOYSA-N 1 1 247.338 2.418 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@@H](O)CCC(C)C ZINC000491771500 388319390 /nfs/dbraw/zinc/31/93/90/388319390.db2.gz RSERBGJNPXLTOP-LBPRGKRZSA-N 1 1 211.349 2.127 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cccc(C(C)=O)c1 ZINC000491807562 388322267 /nfs/dbraw/zinc/32/22/67/388322267.db2.gz CLRDCKPGCGQZQZ-UHFFFAOYSA-N 1 1 215.296 2.344 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(C(C)=O)c1 ZINC000491807562 388322268 /nfs/dbraw/zinc/32/22/68/388322268.db2.gz CLRDCKPGCGQZQZ-UHFFFAOYSA-N 1 1 215.296 2.344 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCCCCn1cccn1 ZINC000491811345 388322717 /nfs/dbraw/zinc/32/27/17/388322717.db2.gz CCUKHSMXQUTGLI-ZDUSSCGKSA-N 1 1 219.332 2.007 20 30 BEEDMO C#CC[N@H+](Cc1ccc(N(C)CC)nc1)C1CC1 ZINC000491821527 388323984 /nfs/dbraw/zinc/32/39/84/388323984.db2.gz WIZNPFAYWLITHT-UHFFFAOYSA-N 1 1 243.354 2.135 20 30 BEEDMO C#CC[N@H+](C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000490947654 388261424 /nfs/dbraw/zinc/26/14/24/388261424.db2.gz ADWRJEOFBFMAJS-NSHDSACASA-N 1 1 249.276 2.178 20 30 BEEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451346887 388264111 /nfs/dbraw/zinc/26/41/11/388264111.db2.gz SNDZULMCYFVRSH-MCIONIFRSA-N 1 1 248.370 2.306 20 30 BEEDMO C#CCN(c1[nH+]cnc2[nH]ccc21)C1CCCC1 ZINC000491095944 388269428 /nfs/dbraw/zinc/26/94/28/388269428.db2.gz NWDKKSBKNLYKOG-UHFFFAOYSA-N 1 1 240.310 2.340 20 30 BEEDMO 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C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000229751232 388396961 /nfs/dbraw/zinc/39/69/61/388396961.db2.gz DATKEOYSCFTARO-UHFFFAOYSA-N 1 1 248.301 2.308 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cccc(F)c1 ZINC000164683393 388397436 /nfs/dbraw/zinc/39/74/36/388397436.db2.gz DFDXOOLTXWYCAK-UHFFFAOYSA-N 1 1 206.264 2.465 20 30 BEEDMO C=CCCCC[N@H+](C)C[C@H]1CCCN1C ZINC000572987598 388398639 /nfs/dbraw/zinc/39/86/39/388398639.db2.gz NWLZEPRBICQGFN-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000572987598 388398640 /nfs/dbraw/zinc/39/86/40/388398640.db2.gz NWLZEPRBICQGFN-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCCN(C)C[C@H]1CCC[N@H+]1C ZINC000572987598 388398642 /nfs/dbraw/zinc/39/86/42/388398642.db2.gz NWLZEPRBICQGFN-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C[C@H]1OCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000335792123 388453645 /nfs/dbraw/zinc/45/36/45/388453645.db2.gz IJMXYNJVPQQOHV-QWHCGFSZSA-N 1 1 244.338 2.362 20 30 BEEDMO C[C@H]1OCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000335792121 388454522 /nfs/dbraw/zinc/45/45/22/388454522.db2.gz IJMXYNJVPQQOHV-CHWSQXEVSA-N 1 1 244.338 2.362 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@H]1CCCC[C@H]1O ZINC000245972471 388435702 /nfs/dbraw/zinc/43/57/02/388435702.db2.gz OFAGDCHHROVBSK-BXUZGUMPSA-N 1 1 248.326 2.134 20 30 BEEDMO C[C@H]1[C@@H](C)[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528519655 388541323 /nfs/dbraw/zinc/54/13/23/388541323.db2.gz DKYCDAUXSLEBQV-FDYHWXHSSA-N 1 1 236.359 2.017 20 30 BEEDMO C=CCCC[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000342788250 388499208 /nfs/dbraw/zinc/49/92/08/388499208.db2.gz OALNROPESIFTDM-LLVKDONJSA-N 1 1 234.347 2.121 20 30 BEEDMO CC[C@H]1COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343535942 388500762 /nfs/dbraw/zinc/50/07/62/388500762.db2.gz QZCQZZVMJSDEGQ-HNNXBMFYSA-N 1 1 244.338 2.363 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343549632 388501556 /nfs/dbraw/zinc/50/15/56/388501556.db2.gz KATZIGAMCLETGJ-HNNXBMFYSA-N 1 1 244.338 2.363 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C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1O ZINC000250217201 388588121 /nfs/dbraw/zinc/58/81/21/388588121.db2.gz FKTRZEFCNCMRSH-LSDHHAIUSA-N 1 1 244.338 2.294 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000649307565 388594078 /nfs/dbraw/zinc/59/40/78/388594078.db2.gz AXJSKUDFDFUTMD-NWDGAFQWSA-N 1 1 221.300 2.006 20 30 BEEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000550453725 388608977 /nfs/dbraw/zinc/60/89/77/388608977.db2.gz GCFYFVGQTXCLLK-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000080626698 388561277 /nfs/dbraw/zinc/56/12/77/388561277.db2.gz RQSJWEGZAYUPJQ-NSHDSACASA-N 1 1 212.362 2.365 20 30 BEEDMO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000387442374 388581683 /nfs/dbraw/zinc/58/16/83/388581683.db2.gz PSAKXLGUERTYJB-JHJVBQTASA-N 1 1 210.365 2.271 20 30 BEEDMO C=CCC[C@H]([NH2+]Cc1ccn[nH]1)C1CC1 ZINC000125325859 388670950 /nfs/dbraw/zinc/67/09/50/388670950.db2.gz AWRXCIUNAHMHDV-LBPRGKRZSA-N 1 1 205.305 2.244 20 30 BEEDMO 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BEEDMO C=CC[NH+](CC=C)Cc1cnn(C=C)c1 ZINC000193593986 397896516 /nfs/dbraw/zinc/89/65/16/397896516.db2.gz KHNAGUJGFJPIFW-UHFFFAOYSA-N 1 1 203.289 2.158 20 30 BEEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595611584 397992284 /nfs/dbraw/zinc/99/22/84/397992284.db2.gz LNAFUVYXRAWMEG-NSHDSACASA-N 1 1 219.288 2.109 20 30 BEEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)on1 ZINC000595611584 397992287 /nfs/dbraw/zinc/99/22/87/397992287.db2.gz LNAFUVYXRAWMEG-NSHDSACASA-N 1 1 219.288 2.109 20 30 BEEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623386 397993306 /nfs/dbraw/zinc/99/33/06/397993306.db2.gz OOQVKEGIGXRPMC-KGLIPLIRSA-N 1 1 238.375 2.409 20 30 BEEDMO CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623387 397993328 /nfs/dbraw/zinc/99/33/28/397993328.db2.gz OOQVKEGIGXRPMC-UONOGXRCSA-N 1 1 238.375 2.409 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000645960439 398013091 /nfs/dbraw/zinc/01/30/91/398013091.db2.gz YHDBZQVOEQVBCH-GJZGRUSLSA-N 1 1 247.338 2.077 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000491416229 398042005 /nfs/dbraw/zinc/04/20/05/398042005.db2.gz JVXKOGXDZRVTPI-VIFPVBQESA-N 1 1 232.258 2.420 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000491416229 398042008 /nfs/dbraw/zinc/04/20/08/398042008.db2.gz JVXKOGXDZRVTPI-VIFPVBQESA-N 1 1 232.258 2.420 20 30 BEEDMO CS[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000451324674 397973183 /nfs/dbraw/zinc/97/31/83/397973183.db2.gz LQGSVRNTRWQXMP-GARJFASQSA-N 1 1 210.346 2.116 20 30 BEEDMO C#CC[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000491624807 398049989 /nfs/dbraw/zinc/04/99/89/398049989.db2.gz JVNYLQZCYLNUDU-LBPRGKRZSA-N 1 1 241.693 2.078 20 30 BEEDMO COc1ccnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1F ZINC000595080497 397980977 /nfs/dbraw/zinc/98/09/77/397980977.db2.gz MJIWIOVOHBUIGG-UWVGGRQHSA-N 1 1 249.289 2.011 20 30 BEEDMO CC#CCC[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649718036 398059357 /nfs/dbraw/zinc/05/93/57/398059357.db2.gz QQOBLSSXUFMDBF-LBPRGKRZSA-N 1 1 209.333 2.289 20 30 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BEEDMO C=CCOCC[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649717871 398059278 /nfs/dbraw/zinc/05/92/78/398059278.db2.gz OCTHIURPULBJHV-LBPRGKRZSA-N 1 1 227.348 2.078 20 30 BEEDMO CO[C@H]1CC[N@@H+](CC2(CC#N)CC2)[C@@H](C)C1 ZINC000304155028 398107083 /nfs/dbraw/zinc/10/70/83/398107083.db2.gz IZGVSPGDXUEWIW-RYUDHWBXSA-N 1 1 222.332 2.180 20 30 BEEDMO CO[C@@H]1CC[N@@H+](CC2(CC#N)CC2)[C@@H](C)C1 ZINC000304155027 398107132 /nfs/dbraw/zinc/10/71/32/398107132.db2.gz IZGVSPGDXUEWIW-NWDGAFQWSA-N 1 1 222.332 2.180 20 30 BEEDMO CC#CCC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822222 398124522 /nfs/dbraw/zinc/12/45/22/398124522.db2.gz ALSDJEJMUNWQNI-GFCCVEGCSA-N 1 1 207.317 2.043 20 30 BEEDMO CC[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCOC1 ZINC000611256675 398125934 /nfs/dbraw/zinc/12/59/34/398125934.db2.gz MVCIMEQLPLXLMV-NSHDSACASA-N 1 1 234.299 2.010 20 30 BEEDMO Cc1ccnc([C@H]2CC[N@@H+](CCCC#N)C2)c1 ZINC000572012231 398129281 /nfs/dbraw/zinc/12/92/81/398129281.db2.gz LXMBOZZZCQSFPC-ZDUSSCGKSA-N 1 1 229.327 2.483 20 30 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CCC#C[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC000680405567 487588209 /nfs/dbraw/zinc/58/82/09/487588209.db2.gz NAKFHVDLIXZKNK-NWDGAFQWSA-N 1 1 242.326 2.182 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000279184904 166110778 /nfs/dbraw/zinc/11/07/78/166110778.db2.gz DFYYEGQQUGJKBQ-UHFFFAOYSA-N 1 1 244.338 2.489 20 30 BEEDMO C#CCCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000273037123 166127844 /nfs/dbraw/zinc/12/78/44/166127844.db2.gz VSRARBJFCIBWPP-UHFFFAOYSA-N 1 1 231.343 2.311 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001651792948 1172988508 /nfs/dbraw/zinc/98/85/08/1172988508.db2.gz VLDBWLLXMTWEEM-UHFFFAOYSA-N 1 1 247.342 2.048 20 30 BEEDMO C#CCCC[N@H+](C)CCc1ncc(C)s1 ZINC000271077866 166129034 /nfs/dbraw/zinc/12/90/34/166129034.db2.gz XMYLIJFKZMNKNN-UHFFFAOYSA-N 1 1 222.357 2.339 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000270992745 166131162 /nfs/dbraw/zinc/13/11/62/166131162.db2.gz DZHOQFUGDMQETL-LBPRGKRZSA-N 1 1 217.316 2.003 20 30 BEEDMO C#CCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000270529580 166134371 /nfs/dbraw/zinc/13/43/71/166134371.db2.gz FFPHJRHAYUVFNA-SJCJKPOMSA-N 1 1 249.379 2.440 20 30 BEEDMO C#CCC[N@@H+](C)CCOc1cccc(C)c1 ZINC000268753429 166134278 /nfs/dbraw/zinc/13/42/78/166134278.db2.gz XQVBIUNFPQUAKA-UHFFFAOYSA-N 1 1 217.312 2.329 20 30 BEEDMO C#CCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000270572249 166134477 /nfs/dbraw/zinc/13/44/77/166134477.db2.gz GVGOUOXVKCQISY-HNNXBMFYSA-N 1 1 213.324 2.499 20 30 BEEDMO C#CCC[N@@H+](C)CCOCc1ccccc1 ZINC000270584401 166135478 /nfs/dbraw/zinc/13/54/78/166135478.db2.gz JDJYBUYQESHVFX-UHFFFAOYSA-N 1 1 217.312 2.158 20 30 BEEDMO C#CCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000270559956 166135535 /nfs/dbraw/zinc/13/55/35/166135535.db2.gz WWSLJEBRFIUXLH-UHFFFAOYSA-N 1 1 216.328 2.208 20 30 BEEDMO C#CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000270623335 166135128 /nfs/dbraw/zinc/13/51/28/166135128.db2.gz PCTOWJBIJKSHSP-UHFFFAOYSA-N 1 1 218.256 2.050 20 30 BEEDMO CCC#C[C@@H](C)[N@H+](CCC)CC(=O)NCCC ZINC000662503673 409738789 /nfs/dbraw/zinc/73/87/89/409738789.db2.gz ALWVMFJGOBBEMB-CYBMUJFWSA-N 1 1 238.375 2.027 20 30 BEEDMO C=C(CC)C[N@@H+]1CCCN(CC)C[C@H]1C ZINC000660787038 409745965 /nfs/dbraw/zinc/74/59/65/409745965.db2.gz HQTVMFYCSYPHFA-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(CC)CN1CCC[N@@H+](CC)C[C@H]1C ZINC000660787038 409745972 /nfs/dbraw/zinc/74/59/72/409745972.db2.gz HQTVMFYCSYPHFA-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(CC)CN1CCC[N@H+](CC)C[C@H]1C ZINC000660787038 409745981 /nfs/dbraw/zinc/74/59/81/409745981.db2.gz HQTVMFYCSYPHFA-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO N#CC[C@@H]1CCC[N@H+](CC2CCC(=O)CC2)C1 ZINC000661152430 410304092 /nfs/dbraw/zinc/30/40/92/410304092.db2.gz FDTLFTYXKNDBAQ-LBPRGKRZSA-N 1 1 234.343 2.371 20 30 BEEDMO C=CC[N@H+](Cc1cncc(F)c1)[C@H](C)COC ZINC000661240681 410403018 /nfs/dbraw/zinc/40/30/18/410403018.db2.gz PZUHYLOLFASUTJ-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@@H+](Cc1cncc(F)c1)[C@H](C)COC ZINC000661240681 410403022 /nfs/dbraw/zinc/40/30/22/410403022.db2.gz PZUHYLOLFASUTJ-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C#CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276893831 166160309 /nfs/dbraw/zinc/16/03/09/166160309.db2.gz CICPCUHCFZNWSE-SNVBAGLBSA-N 1 1 218.256 2.221 20 30 BEEDMO C#CC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276893831 166160316 /nfs/dbraw/zinc/16/03/16/166160316.db2.gz CICPCUHCFZNWSE-SNVBAGLBSA-N 1 1 218.256 2.221 20 30 BEEDMO C#CCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174951960 166161419 /nfs/dbraw/zinc/16/14/19/166161419.db2.gz DVUADTCGQIVEEV-INIZCTEOSA-N 1 1 242.366 2.216 20 30 BEEDMO C#CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174951960 166161422 /nfs/dbraw/zinc/16/14/22/166161422.db2.gz DVUADTCGQIVEEV-INIZCTEOSA-N 1 1 242.366 2.216 20 30 BEEDMO C#CC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174951960 166161424 /nfs/dbraw/zinc/16/14/24/166161424.db2.gz DVUADTCGQIVEEV-INIZCTEOSA-N 1 1 242.366 2.216 20 30 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/nfs/dbraw/zinc/77/40/61/534774061.db2.gz RFMZVODOIWVDHH-UHFFFAOYSA-N 1 1 244.338 2.326 20 30 BEEDMO CN1CCC[C@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000339436899 536395543 /nfs/dbraw/zinc/39/55/43/536395543.db2.gz HMPHSDVVUCCKDT-AWEZNQCLSA-N 1 1 235.375 2.098 20 30 BEEDMO CN1CCC[C@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000339436899 536395542 /nfs/dbraw/zinc/39/55/42/536395542.db2.gz HMPHSDVVUCCKDT-AWEZNQCLSA-N 1 1 235.375 2.098 20 30 BEEDMO C=CCN(CCOC)c1cc(C)cc[nH+]1 ZINC000302700180 534836430 /nfs/dbraw/zinc/83/64/30/534836430.db2.gz HSCHSIHDSGQDIL-UHFFFAOYSA-N 1 1 206.289 2.029 20 30 BEEDMO C=CCOCCC[N@H+](C)C[C@H]1CCCCO1 ZINC000347961128 534872872 /nfs/dbraw/zinc/87/28/72/534872872.db2.gz GVIYVNMPRLHKIG-CYBMUJFWSA-N 1 1 227.348 2.080 20 30 BEEDMO C=CCOCCC[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351651757 534874658 /nfs/dbraw/zinc/87/46/58/534874658.db2.gz RGHRCZXWXZQBLG-UONOGXRCSA-N 1 1 241.375 2.062 20 30 BEEDMO C=CCOCC[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000339090312 534878107 /nfs/dbraw/zinc/87/81/07/534878107.db2.gz WWMLVKGTJBEYHI-CYBMUJFWSA-N 1 1 239.359 2.080 20 30 BEEDMO C=CCOCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000339005542 534878216 /nfs/dbraw/zinc/87/82/16/534878216.db2.gz RPCNNHOOWCMZBU-UHFFFAOYSA-N 1 1 239.359 2.082 20 30 BEEDMO C=CCOCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000339140019 534878759 /nfs/dbraw/zinc/87/87/59/534878759.db2.gz JQJHKBLTONMKKR-UWVGGRQHSA-N 1 1 237.265 2.462 20 30 BEEDMO C=CCOCC[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000339000982 534878785 /nfs/dbraw/zinc/87/87/85/534878785.db2.gz FWKQXHXSFFICQT-GHMZBOCLSA-N 1 1 215.362 2.015 20 30 BEEDMO C=CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000339140017 534878959 /nfs/dbraw/zinc/87/89/59/534878959.db2.gz JQJHKBLTONMKKR-NXEZZACHSA-N 1 1 237.265 2.462 20 30 BEEDMO C=CCOc1ccc(C[N@@H+](C)CCCCO)cc1 ZINC000343015232 534882158 /nfs/dbraw/zinc/88/21/58/534882158.db2.gz NWFIBQMVMNBTTH-UHFFFAOYSA-N 1 1 249.354 2.456 20 30 BEEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000495679622 526606479 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/nfs/dbraw/zinc/13/27/31/527132731.db2.gz YGFYGCPOSCMMTE-ZDUSSCGKSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000488120328 527135147 /nfs/dbraw/zinc/13/51/47/527135147.db2.gz CAPWWIZCPLALPC-CYBMUJFWSA-N 1 1 236.359 2.039 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCC1CCOCC1 ZINC000491660340 527212805 /nfs/dbraw/zinc/21/28/05/527212805.db2.gz YGCVDYSADGCRNV-GFCCVEGCSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487233691 527294567 /nfs/dbraw/zinc/29/45/67/527294567.db2.gz PXBAGEMQTHMTKX-RWMBFGLXSA-N 1 1 238.375 2.045 20 30 BEEDMO C=CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487233689 527294881 /nfs/dbraw/zinc/29/48/81/527294881.db2.gz PXBAGEMQTHMTKX-AVGNSLFASA-N 1 1 238.375 2.045 20 30 BEEDMO CCOC(=O)C(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000174867370 528559367 /nfs/dbraw/zinc/55/93/67/528559367.db2.gz FAYVGMTYDFTZNS-UHFFFAOYSA-N 1 1 240.347 2.248 20 30 BEEDMO CC(C)CC[C@H](O)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000361316671 534946618 /nfs/dbraw/zinc/94/66/18/534946618.db2.gz SUYXPSFWOKFNAH-OCCSQVGLSA-N 1 1 238.375 2.408 20 30 BEEDMO CC(C)CC[C@H](O)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000361316671 534946627 /nfs/dbraw/zinc/94/66/27/534946627.db2.gz SUYXPSFWOKFNAH-OCCSQVGLSA-N 1 1 238.375 2.408 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000365848582 534998663 /nfs/dbraw/zinc/99/86/63/534998663.db2.gz ROKVXQFTLMHHTB-CYBMUJFWSA-N 1 1 246.358 2.460 20 30 BEEDMO CC(C)[C@]1(CO)CCC[N@@H+](CCCCC#N)C1 ZINC000339706275 535310144 /nfs/dbraw/zinc/31/01/44/535310144.db2.gz FPGMSVOVOKNOLR-CQSZACIVSA-N 1 1 238.375 2.411 20 30 BEEDMO CC(C)OCCC[N@@H+](C)CCCSCC#N ZINC000342154351 535324545 /nfs/dbraw/zinc/32/45/45/535324545.db2.gz POIHSGAVKPSVCH-UHFFFAOYSA-N 1 1 244.404 2.380 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)CCC(C)(C)C#N ZINC000336672968 535556053 /nfs/dbraw/zinc/55/60/53/535556053.db2.gz GSDVPOFWXWAWLM-LLVKDONJSA-N 1 1 212.337 2.019 20 30 BEEDMO CC[C@]1(C)CC[N@@H+](CCOCCC#N)C1 ZINC000339018308 535908723 /nfs/dbraw/zinc/90/87/23/535908723.db2.gz VZVIJSOJEAAAQS-GFCCVEGCSA-N 1 1 210.321 2.039 20 30 BEEDMO CN(C)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000179639360 535943632 /nfs/dbraw/zinc/94/36/32/535943632.db2.gz CUNCCEKWBKWOQK-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO CN(C)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000179639360 535943626 /nfs/dbraw/zinc/94/36/26/535943626.db2.gz CUNCCEKWBKWOQK-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335740957 535962034 /nfs/dbraw/zinc/96/20/34/535962034.db2.gz GTIUUFMONIAKRO-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO CC[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000304315232 535979122 /nfs/dbraw/zinc/97/91/22/535979122.db2.gz RHKGBPLKNZWVLZ-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO CCn1cc(CC[N@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000348294063 536039122 /nfs/dbraw/zinc/03/91/22/536039122.db2.gz SJXLGUFYQXHEGO-GFCCVEGCSA-N 1 1 246.358 2.070 20 30 BEEDMO CCn1cc(CC[N@@H+](C[C@H](C)C#N)C2CC2)cn1 ZINC000348294063 536039126 /nfs/dbraw/zinc/03/91/26/536039126.db2.gz SJXLGUFYQXHEGO-GFCCVEGCSA-N 1 1 246.358 2.070 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)nc1C ZINC000278746877 536056123 /nfs/dbraw/zinc/05/61/23/536056123.db2.gz SDSSQKGDVOCXTN-LLVKDONJSA-N 1 1 221.279 2.311 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCCC[C@@H]1O ZINC000305797034 536314302 /nfs/dbraw/zinc/31/43/02/536314302.db2.gz FZCYXSGHSGAGAO-STQMWFEESA-N 1 1 238.375 2.409 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@H]1O ZINC000252923613 536314576 /nfs/dbraw/zinc/31/45/76/536314576.db2.gz KCKADFOIALQLPI-NWDGAFQWSA-N 1 1 224.348 2.162 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCC[C@H]1O ZINC000305691142 536314680 /nfs/dbraw/zinc/31/46/80/536314680.db2.gz ROLNYPOWFVAVPF-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1O ZINC000252923614 536314811 /nfs/dbraw/zinc/31/48/11/536314811.db2.gz KCKADFOIALQLPI-VXGBXAGGSA-N 1 1 224.348 2.162 20 30 BEEDMO C[N@@H+](CCCCC#N)CC[C@H]1CCCO1 ZINC000342609306 536329104 /nfs/dbraw/zinc/32/91/04/536329104.db2.gz VFMDOQWDPXAQNW-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO COCC1(C#N)CCN(c2cccc(C)[nH+]2)CC1 ZINC000343140179 536801301 /nfs/dbraw/zinc/80/13/01/536801301.db2.gz MWVSYNCYMMNTOT-UHFFFAOYSA-N 1 1 245.326 2.147 20 30 BEEDMO COCC1(C[N@@H+](C[C@H](C)C#N)C2CC2)CCC1 ZINC000361328290 536820880 /nfs/dbraw/zinc/82/08/80/536820880.db2.gz JZIFQVTVJXIWAO-GFCCVEGCSA-N 1 1 236.359 2.427 20 30 BEEDMO COCC[C@H]1CCCC[N@@H+](CCCC#N)C1 ZINC000368656154 536822505 /nfs/dbraw/zinc/82/25/05/536822505.db2.gz UDIRGPKRJMXMAN-CYBMUJFWSA-N 1 1 224.348 2.429 20 30 BEEDMO CO[C@]1(C)CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000366467551 536836348 /nfs/dbraw/zinc/83/63/48/536836348.db2.gz AWUXIHINQOOFMB-UONOGXRCSA-N 1 1 249.358 2.321 20 30 BEEDMO C#CCOCC[N@H+](CC)Cc1ccc(C)cc1 ZINC000851738318 582965332 /nfs/dbraw/zinc/96/53/32/582965332.db2.gz DGNWHXOXWUFLAG-UHFFFAOYSA-N 1 1 231.339 2.467 20 30 BEEDMO C#Cc1cccnc1NC[C@H]1CC[N@H+](CCC)C1 ZINC000853230407 588728026 /nfs/dbraw/zinc/72/80/26/588728026.db2.gz YXKCCCMLHFSKFB-CYBMUJFWSA-N 1 1 243.354 2.207 20 30 BEEDMO C[NH+]1CCN(N=C2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000853255527 588729596 /nfs/dbraw/zinc/72/95/96/588729596.db2.gz FXEICHOVWUNKEV-NEPJUHHUSA-N 1 1 235.375 2.046 20 30 BEEDMO Cc1ccc(N=NC2C[N@H+](C)C[C@@H]2C)cc1F ZINC000853438966 588742502 /nfs/dbraw/zinc/74/25/02/588742502.db2.gz VYTRALRAEQMLHZ-JTQLQIEISA-N 1 1 235.306 2.484 20 30 BEEDMO N#CCC1(CO[NH+]=C(N)C2CCCC2)CC1 ZINC000853655425 588752651 /nfs/dbraw/zinc/75/26/51/588752651.db2.gz WGZICWZECKPGFQ-UHFFFAOYSA-N 1 1 221.304 2.369 20 30 BEEDMO CCCCC(N)=[NH+]OCC1(CC#N)CC1 ZINC000853658168 588752966 /nfs/dbraw/zinc/75/29/66/588752966.db2.gz IMLSGKRENMSIDM-UHFFFAOYSA-N 1 1 209.293 2.369 20 30 BEEDMO C#CC[C@H]1CCCN(c2cc(CO)cc(C)[nH+]2)C1 ZINC000853708639 588758376 /nfs/dbraw/zinc/75/83/76/588758376.db2.gz RSBSBBZFDWKHQP-ZDUSSCGKSA-N 1 1 244.338 2.122 20 30 BEEDMO C#CCC[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854040401 588772482 /nfs/dbraw/zinc/77/24/82/588772482.db2.gz RUUXBSQKWUFPIP-ZDUSSCGKSA-N 1 1 214.312 2.488 20 30 BEEDMO CCCC(N)=[NH+]OCc1cccnc1Cl ZINC000112970320 588822227 /nfs/dbraw/zinc/82/22/27/588822227.db2.gz KVIFVNWHCATJEQ-UHFFFAOYSA-N 1 1 227.695 2.324 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000890545048 582469239 /nfs/dbraw/zinc/46/92/39/582469239.db2.gz CITHHQHVCZTPAP-CHWSQXEVSA-N 1 1 236.359 2.036 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000890549137 582470892 /nfs/dbraw/zinc/47/08/92/582470892.db2.gz HSERSDXXSXTXCO-TZMCWYRMSA-N 1 1 248.370 2.180 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000890562513 582477900 /nfs/dbraw/zinc/47/79/00/582477900.db2.gz ABPNAASMAUOECH-OLZOCXBDSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000890563203 582479241 /nfs/dbraw/zinc/47/92/41/582479241.db2.gz PTADFZJCZMFWFT-OLZOCXBDSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CC[C@@H]1CCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000890563202 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/nfs/dbraw/zinc/67/40/48/582674048.db2.gz BSHBHCBAWXNJMP-STQMWFEESA-N 1 1 229.327 2.191 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cn(CC)nc1C ZINC000891449139 582688135 /nfs/dbraw/zinc/68/81/35/582688135.db2.gz LYIKNZHXWDUVMA-UHFFFAOYSA-N 1 1 219.332 2.385 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1C[C@]1(C)Br ZINC000891805217 582724623 /nfs/dbraw/zinc/72/46/23/582724623.db2.gz FOXDZTAECIQQJI-ZJUUUORDSA-N 1 1 230.149 2.115 20 30 BEEDMO CC[N@H+]1CCN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000891993981 582756272 /nfs/dbraw/zinc/75/62/72/582756272.db2.gz YNOTXBNGRSDTML-NSHDSACASA-N 1 1 249.383 2.146 20 30 BEEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)cs1 ZINC000892176168 582805034 /nfs/dbraw/zinc/80/50/34/582805034.db2.gz RTNQYKODKWXICT-CYBMUJFWSA-N 1 1 248.351 2.232 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851773129 582966730 /nfs/dbraw/zinc/96/67/30/582966730.db2.gz JJHOVCRDPDLHJY-MRXNPFEDSA-N 1 1 243.350 2.126 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000851808379 582968615 /nfs/dbraw/zinc/96/86/15/582968615.db2.gz MVIJNIQQSNGBLQ-MRXNPFEDSA-N 1 1 243.350 2.300 20 30 BEEDMO C#CCOCC[N@H+]1CCCC2(CCCC2)C1 ZINC000851967446 582985715 /nfs/dbraw/zinc/98/57/15/582985715.db2.gz BEBHQQLGMQHSLF-UHFFFAOYSA-N 1 1 221.344 2.292 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc(C)c2)C1 ZINC000856757160 588876115 /nfs/dbraw/zinc/87/61/15/588876115.db2.gz WDICDLNJNDEKKL-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO CCCCCCCC(=O)NCc1cnc[nH]1 ZINC000114648861 588879463 /nfs/dbraw/zinc/87/94/63/588879463.db2.gz MFXWBXWLCNNBLJ-UHFFFAOYSA-N 1 1 223.320 2.386 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(F)c(C)c1 ZINC000893607580 583172485 /nfs/dbraw/zinc/17/24/85/583172485.db2.gz YFINMDOQXDYAPG-LLVKDONJSA-N 1 1 221.279 2.311 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1 ZINC000857060895 588884472 /nfs/dbraw/zinc/88/44/72/588884472.db2.gz FUQPQNWIFWMQCZ-XJKSGUPXSA-N 1 1 243.350 2.118 20 30 BEEDMO Cc1cc(C#N)nc(N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000893914279 583245704 /nfs/dbraw/zinc/24/57/04/583245704.db2.gz MVWZFTVGSUGQFD-GFCCVEGCSA-N 1 1 246.358 2.402 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccc(O)c(F)c1 ZINC000893991256 583267916 /nfs/dbraw/zinc/26/79/16/583267916.db2.gz ACAOPCNAYWQQQG-UHFFFAOYSA-N 1 1 239.290 2.166 20 30 BEEDMO Cc1coc(C[NH+]2CCC(C#N)CC2)c1 ZINC000893984443 583268604 /nfs/dbraw/zinc/26/86/04/583268604.db2.gz OYAOHVPULREASW-UHFFFAOYSA-N 1 1 204.273 2.324 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)cc1C ZINC000894058859 583291408 /nfs/dbraw/zinc/29/14/08/583291408.db2.gz AEDFQPQWHNDPFY-LBPRGKRZSA-N 1 1 217.312 2.457 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC000894059364 583292057 /nfs/dbraw/zinc/29/20/57/583292057.db2.gz IARJSCYZJQFMKH-GFCCVEGCSA-N 1 1 229.323 2.465 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000894091920 583300251 /nfs/dbraw/zinc/30/02/51/583300251.db2.gz VUHWOBDETAMNGI-GFCCVEGCSA-N 1 1 245.370 2.449 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000877513002 583320251 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/nfs/dbraw/zinc/73/40/68/583734068.db2.gz NXFLQWZZRVNGHB-UHFFFAOYSA-N 1 1 241.425 2.180 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848836 583736442 /nfs/dbraw/zinc/73/64/42/583736442.db2.gz URGVICIZLKAEQQ-RDBSUJKOSA-N 1 1 236.359 2.427 20 30 BEEDMO C=CCCc1noc([C@H]2CCc3c[nH+]cn3C2)n1 ZINC000896385902 583798124 /nfs/dbraw/zinc/79/81/24/583798124.db2.gz DFRDVDOWYOUSSB-JTQLQIEISA-N 1 1 244.298 2.115 20 30 BEEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCCC#N)C2)nc1 ZINC000858035036 588931053 /nfs/dbraw/zinc/93/10/53/588931053.db2.gz HFWIQBNZELRSHM-ZDUSSCGKSA-N 1 1 245.326 2.147 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](C)CC1 ZINC000896583328 583815368 /nfs/dbraw/zinc/81/53/68/583815368.db2.gz FFCJLWZOHYXGOC-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](C)CC1 ZINC000896583326 583815762 /nfs/dbraw/zinc/81/57/62/583815762.db2.gz FFCJLWZOHYXGOC-NWDGAFQWSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](C)CC1 ZINC000896583325 583815816 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/nfs/dbraw/zinc/13/82/22/584138222.db2.gz KPVGWFPLRHOESX-UHFFFAOYSA-N 1 1 220.320 2.057 20 30 BEEDMO C=C1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000898698569 584155073 /nfs/dbraw/zinc/15/50/73/584155073.db2.gz ODPLVQZYYPSFJI-CYBMUJFWSA-N 1 1 248.370 2.039 20 30 BEEDMO C=C1C[NH+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000899900121 584248547 /nfs/dbraw/zinc/24/85/47/584248547.db2.gz IXMZWWBFYVDNET-OCCSQVGLSA-N 1 1 217.312 2.023 20 30 BEEDMO C=C1C[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000899900120 584248823 /nfs/dbraw/zinc/24/88/23/584248823.db2.gz IXMZWWBFYVDNET-JSGCOSHPSA-N 1 1 217.312 2.023 20 30 BEEDMO C#CC[C@@H](CCOC)Nc1[nH]c2ccccc2[nH+]1 ZINC000858854885 588978767 /nfs/dbraw/zinc/97/87/67/588978767.db2.gz FNVOBOOMDIDKDI-NSHDSACASA-N 1 1 243.310 2.403 20 30 BEEDMO C#CC[C@@H](CCOC)Nc1cc(C)[nH+]c(CC)n1 ZINC000858855590 588979317 /nfs/dbraw/zinc/97/93/17/588979317.db2.gz CCLCICXDYRGGDY-LBPRGKRZSA-N 1 1 247.342 2.188 20 30 BEEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CC1 ZINC000902414598 584600088 /nfs/dbraw/zinc/60/00/88/584600088.db2.gz YEIIRRWTJYYDSK-AWEZNQCLSA-N 1 1 241.338 2.017 20 30 BEEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(N)CC1 ZINC000902414598 584600090 /nfs/dbraw/zinc/60/00/90/584600090.db2.gz YEIIRRWTJYYDSK-AWEZNQCLSA-N 1 1 241.338 2.017 20 30 BEEDMO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902469568 584615301 /nfs/dbraw/zinc/61/53/01/584615301.db2.gz XQFMDXNFVZORJR-YVECIDJPSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@@H](CC)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469568 584615302 /nfs/dbraw/zinc/61/53/02/584615302.db2.gz XQFMDXNFVZORJR-YVECIDJPSA-N 1 1 208.349 2.214 20 30 BEEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cn[nH]c1 ZINC000902887344 584689263 /nfs/dbraw/zinc/68/92/63/584689263.db2.gz HTEQQBWYKJCEPY-NXEZZACHSA-N 1 1 241.298 2.088 20 30 BEEDMO N#CC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCC1 ZINC000903035139 584718881 /nfs/dbraw/zinc/71/88/81/584718881.db2.gz JDEAZBCXOBELAN-NSHDSACASA-N 1 1 230.315 2.071 20 30 BEEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000903035669 584719431 /nfs/dbraw/zinc/71/94/31/584719431.db2.gz SHJLDOUYLTWMIZ-IHRRRGAJSA-N 1 1 247.386 2.143 20 30 BEEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@@H]2CCC[C@H]21 ZINC000903035670 584719721 /nfs/dbraw/zinc/71/97/21/584719721.db2.gz SHJLDOUYLTWMIZ-MELADBBJSA-N 1 1 247.386 2.143 20 30 BEEDMO C=CCCCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903024241 584721651 /nfs/dbraw/zinc/72/16/51/584721651.db2.gz TVCXHXWWEMSZLB-ZDUSSCGKSA-N 1 1 246.358 2.319 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2ncccn2)C2CC2)C1 ZINC000903324400 584747278 /nfs/dbraw/zinc/74/72/78/584747278.db2.gz PMQTXACUZYHNNC-RTXFEEFZSA-N 1 1 242.326 2.210 20 30 BEEDMO N#CC1CCC(C[N@@H+]2CCCC[C@H]2CN)CC1 ZINC000903422279 584764543 /nfs/dbraw/zinc/76/45/43/584764543.db2.gz WRJXUBSYDDUGAW-RUXDESIVSA-N 1 1 235.375 2.130 20 30 BEEDMO N#CC1CCC(CN2CCCC[C@H]2C[NH3+])CC1 ZINC000903422279 584764544 /nfs/dbraw/zinc/76/45/44/584764544.db2.gz WRJXUBSYDDUGAW-RUXDESIVSA-N 1 1 235.375 2.130 20 30 BEEDMO CC1(C)CNCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903424894 584765487 /nfs/dbraw/zinc/76/54/87/584765487.db2.gz KRAVESCQNFFHEV-UHFFFAOYSA-N 1 1 235.375 2.000 20 30 BEEDMO CC1(C)C[NH2+]CCN1CC1CCC(C#N)CC1 ZINC000903424894 584765489 /nfs/dbraw/zinc/76/54/89/584765489.db2.gz KRAVESCQNFFHEV-UHFFFAOYSA-N 1 1 235.375 2.000 20 30 BEEDMO CC(C)[C@@H]1CNCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903464123 584767105 /nfs/dbraw/zinc/76/71/05/584767105.db2.gz AQRXUFCQWDBLPM-NRXISQOPSA-N 1 1 249.402 2.246 20 30 BEEDMO C[C@H]([NH2+]C/C=C\Cl)c1cc(C#N)ccn1 ZINC000903443131 584767857 /nfs/dbraw/zinc/76/78/57/584767857.db2.gz BXGSADSOEHGFER-MDHMXLOGSA-N 1 1 221.691 2.356 20 30 BEEDMO N#CC1CCC(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000903454013 584773007 /nfs/dbraw/zinc/77/30/07/584773007.db2.gz RHCRWZAADJWODC-ZMYVRHLSSA-N 1 1 247.386 2.143 20 30 BEEDMO N#CC1CCC(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000903454013 584773008 /nfs/dbraw/zinc/77/30/08/584773008.db2.gz RHCRWZAADJWODC-ZMYVRHLSSA-N 1 1 247.386 2.143 20 30 BEEDMO N#C[C@@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000903564202 584782349 /nfs/dbraw/zinc/78/23/49/584782349.db2.gz QGRDSEPAVSRFLN-AWEZNQCLSA-N 1 1 235.375 2.002 20 30 BEEDMO C[C@@H]([NH3+])CN(C)CCCCC1(C#N)CCC1 ZINC000903774976 584799229 /nfs/dbraw/zinc/79/92/29/584799229.db2.gz DHTNQEDZDXKZDT-GFCCVEGCSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@@H](N)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903774976 584799231 /nfs/dbraw/zinc/79/92/31/584799231.db2.gz DHTNQEDZDXKZDT-GFCCVEGCSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@@H](N)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903774976 584799232 /nfs/dbraw/zinc/79/92/32/584799232.db2.gz DHTNQEDZDXKZDT-GFCCVEGCSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@@H]1C[C@@H](N)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903779455 584799652 /nfs/dbraw/zinc/79/96/52/584799652.db2.gz ZXORAFZQQXTEFK-CHWSQXEVSA-N 1 1 235.375 2.272 20 30 BEEDMO C[C@@H]1C[C@@H](N)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000903779455 584799653 /nfs/dbraw/zinc/79/96/53/584799653.db2.gz ZXORAFZQQXTEFK-CHWSQXEVSA-N 1 1 235.375 2.272 20 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BEEDMO C#CCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000766901914 584944528 /nfs/dbraw/zinc/94/45/28/584944528.db2.gz AFQVLLCTGMXLCB-UWVGGRQHSA-N 1 1 235.249 2.051 20 30 BEEDMO Cc1ccc(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)nc1 ZINC000755889549 584996299 /nfs/dbraw/zinc/99/62/99/584996299.db2.gz MHCITCZHJUPECV-NSHDSACASA-N 1 1 244.342 2.272 20 30 BEEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C1CC1 ZINC000838786359 585070091 /nfs/dbraw/zinc/07/00/91/585070091.db2.gz FDKTVZZAJWVMTI-HNNXBMFYSA-N 1 1 231.339 2.446 20 30 BEEDMO C=CCCCCC[N@@H+](C)Cc1cnn(CC)n1 ZINC000838844145 585074349 /nfs/dbraw/zinc/07/43/49/585074349.db2.gz VEQIBTIUWWKXBD-UHFFFAOYSA-N 1 1 236.363 2.476 20 30 BEEDMO C=CCCCCC[N@H+](C)Cc1cnn(CC)n1 ZINC000838844145 585074350 /nfs/dbraw/zinc/07/43/50/585074350.db2.gz VEQIBTIUWWKXBD-UHFFFAOYSA-N 1 1 236.363 2.476 20 30 BEEDMO C=CCCCCC[N@H+](C)CN1CCCC1=O ZINC000739885094 585083798 /nfs/dbraw/zinc/08/37/98/585083798.db2.gz MUERKFULTMXUAE-UHFFFAOYSA-N 1 1 224.348 2.245 20 30 BEEDMO CCCCCCC[N@H+]1CCCN(C=O)CC1 ZINC000839018656 585087589 /nfs/dbraw/zinc/08/75/89/585087589.db2.gz LGFJXXYPCNGIDR-UHFFFAOYSA-N 1 1 226.364 2.121 20 30 BEEDMO C#CCC[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000839044063 585090113 /nfs/dbraw/zinc/09/01/13/585090113.db2.gz XPCWEGCBIYRWOS-STQMWFEESA-N 1 1 237.343 2.206 20 30 BEEDMO C#CCC[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000839044063 585090114 /nfs/dbraw/zinc/09/01/14/585090114.db2.gz XPCWEGCBIYRWOS-STQMWFEESA-N 1 1 237.343 2.206 20 30 BEEDMO C#Cc1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000839141240 585094514 /nfs/dbraw/zinc/09/45/14/585094514.db2.gz MYXHHIGDNAOPFG-UHFFFAOYSA-N 1 1 221.250 2.365 20 30 BEEDMO C#C[C@H]1COCC[N@H+]1C[C@@H](C)c1ccccc1 ZINC000839188464 585097065 /nfs/dbraw/zinc/09/70/65/585097065.db2.gz DNNYJYJNCVYLLG-HIFRSBDPSA-N 1 1 229.323 2.124 20 30 BEEDMO C#C[C@H]1COCC[N@@H+]1C[C@@H](C)c1ccccc1 ZINC000839188464 585097066 /nfs/dbraw/zinc/09/70/66/585097066.db2.gz DNNYJYJNCVYLLG-HIFRSBDPSA-N 1 1 229.323 2.124 20 30 BEEDMO 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CCC(CC)N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000741461288 585114385 /nfs/dbraw/zinc/11/43/85/585114385.db2.gz UIWIXVPWXVDHKJ-SNVBAGLBSA-N 1 1 211.353 2.235 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](CCSC(C)C)C1 ZINC000886364109 585134493 /nfs/dbraw/zinc/13/44/93/585134493.db2.gz OUYPFZAYUIXPLK-GFCCVEGCSA-N 1 1 211.374 2.473 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000886365492 585134747 /nfs/dbraw/zinc/13/47/47/585134747.db2.gz JRQXFMIRTBZUKA-KBPBESRZSA-N 1 1 233.355 2.291 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000886365494 585134929 /nfs/dbraw/zinc/13/49/29/585134929.db2.gz JRQXFMIRTBZUKA-UONOGXRCSA-N 1 1 233.355 2.291 20 30 BEEDMO C#CC[N@@H+](CC)CCCOc1ccccc1 ZINC000746457414 585168479 /nfs/dbraw/zinc/16/84/79/585168479.db2.gz CQIRFESJBLMELO-UHFFFAOYSA-N 1 1 217.312 2.411 20 30 BEEDMO CC(C)[C@@H]1CCCC1=NN1CC[NH+](C)CC1 ZINC000747736138 585182870 /nfs/dbraw/zinc/18/28/70/585182870.db2.gz MXWSKBBUSJACRO-LBPRGKRZSA-N 1 1 223.364 2.046 20 30 BEEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC#N ZINC000809575001 585217719 /nfs/dbraw/zinc/21/77/19/585217719.db2.gz VCKASLIGXBQPSY-LSDHHAIUSA-N 1 1 246.354 2.214 20 30 BEEDMO CON=C1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000751526476 585231556 /nfs/dbraw/zinc/23/15/56/585231556.db2.gz KPTJKFXFBWERSI-NSHDSACASA-N 1 1 218.300 2.141 20 30 BEEDMO C#CC[NH+](CC#C)CCOc1cc(C)cc(C)c1 ZINC000752075934 585241581 /nfs/dbraw/zinc/24/15/81/585241581.db2.gz SLUWWUXJLZFKDF-UHFFFAOYSA-N 1 1 241.334 2.251 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cccc(F)c1 ZINC000752163873 585243291 /nfs/dbraw/zinc/24/32/91/585243291.db2.gz FNACHLYUNOLLCI-VIFPVBQESA-N 1 1 221.279 2.175 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc(F)cn2)C[N@H+]1C1CC1 ZINC000753960776 585273711 /nfs/dbraw/zinc/27/37/11/585273711.db2.gz VMAHNBACHOHWSM-SECBINFHSA-N 1 1 248.305 2.245 20 30 BEEDMO CC(C)[N@@H+]1CC(=NNC2CCCC2)[C@H](C)C1 ZINC000754260075 585281612 /nfs/dbraw/zinc/28/16/12/585281612.db2.gz SIEGCZVBKWGJGL-LLVKDONJSA-N 1 1 223.364 2.235 20 30 BEEDMO C[C@H](CC=NN1CC[NH+](C)CC1)c1ccccc1 ZINC000755465778 585300159 /nfs/dbraw/zinc/30/01/59/585300159.db2.gz PGOHDSTYZOIBHA-CQSZACIVSA-N 1 1 245.370 2.413 20 30 BEEDMO C=CC[N@H+](CN1CC(C)(C)OC1=O)C(C)C ZINC000755728879 585304926 /nfs/dbraw/zinc/30/49/26/585304926.db2.gz XJOHJXYRLMAGIA-UHFFFAOYSA-N 1 1 226.320 2.071 20 30 BEEDMO C=CC[N@@H+](CN1CC(C)(C)OC1=O)C(C)C ZINC000755728879 585304927 /nfs/dbraw/zinc/30/49/27/585304927.db2.gz XJOHJXYRLMAGIA-UHFFFAOYSA-N 1 1 226.320 2.071 20 30 BEEDMO CC[N@H+]1CCC(=NO[C@H]2CCCCO2)[C@H](C)C1 ZINC000755820723 585308092 /nfs/dbraw/zinc/30/80/92/585308092.db2.gz DYORICJFSINOPI-YPMHNXCESA-N 1 1 240.347 2.247 20 30 BEEDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNCc1ccccc1 ZINC000755886949 585309176 /nfs/dbraw/zinc/30/91/76/585309176.db2.gz HFPCEDKIELYATO-GFCCVEGCSA-N 1 1 243.354 2.246 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNCc1ccccc1 ZINC000755886949 585309177 /nfs/dbraw/zinc/30/91/77/585309177.db2.gz HFPCEDKIELYATO-GFCCVEGCSA-N 1 1 243.354 2.246 20 30 BEEDMO 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/nfs/dbraw/zinc/63/42/29/588634229.db2.gz LLLVPFFCRUUBGA-GFCCVEGCSA-N 1 1 233.311 2.035 20 30 BEEDMO C[C@H]1COCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000851865822 588636990 /nfs/dbraw/zinc/63/69/90/588636990.db2.gz IQDPHEHVXLJEHR-CYBMUJFWSA-N 1 1 244.338 2.069 20 30 BEEDMO C#CCOCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000851935417 588645961 /nfs/dbraw/zinc/64/59/61/588645961.db2.gz UXLAKFGZLKFBBI-ZFWWWQNUSA-N 1 1 244.338 2.114 20 30 BEEDMO C#CC[N@H+](C[C@@H](OC)C1CCCC1)C1CC1 ZINC000851938426 588646370 /nfs/dbraw/zinc/64/63/70/588646370.db2.gz PICAGXQNXPPPOF-CQSZACIVSA-N 1 1 221.344 2.289 20 30 BEEDMO C#C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCO1 ZINC000851951346 588647278 /nfs/dbraw/zinc/64/72/78/588647278.db2.gz XFZGXWVJYQAUTG-BDAKNGLRSA-N 1 1 234.126 2.076 20 30 BEEDMO C#CCOCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000851979329 588650877 /nfs/dbraw/zinc/65/08/77/588650877.db2.gz WBJCNTGQKPCRPP-UHFFFAOYSA-N 1 1 249.741 2.348 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000851979329 588650878 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C=CC[N@H+](C[C@H](OC)C1CCOCC1)C(C)C ZINC000876598407 590220357 /nfs/dbraw/zinc/22/03/57/590220357.db2.gz WRWVRSBCSIKCHX-AWEZNQCLSA-N 1 1 241.375 2.324 20 30 BEEDMO C=CC[N@@H+](Cc1cnc2c(cnn2C)c1)C(C)C ZINC000876600419 590220812 /nfs/dbraw/zinc/22/08/12/590220812.db2.gz QSWXYBXBFCODHH-UHFFFAOYSA-N 1 1 244.342 2.365 20 30 BEEDMO C#CCCCCCC[N@H+](CC(=O)OC)C(C)C ZINC000876604459 590221237 /nfs/dbraw/zinc/22/12/37/590221237.db2.gz BLHPEFCZDAUZFR-UHFFFAOYSA-N 1 1 239.359 2.454 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCOC[C@H]1C ZINC000876610583 590221835 /nfs/dbraw/zinc/22/18/35/590221835.db2.gz DQNQFHNQUQVXMZ-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C=CC1CC[NH+](Cc2cn(CCC)nn2)CC1 ZINC000876727818 590233218 /nfs/dbraw/zinc/23/32/18/590233218.db2.gz SFWHVNVXVBJRJY-UHFFFAOYSA-N 1 1 234.347 2.086 20 30 BEEDMO C#CCCCCCC[N@H+](CCCO)C1CC1 ZINC000876732480 590234234 /nfs/dbraw/zinc/23/42/34/590234234.db2.gz XEOXKPZWYLGTGJ-UHFFFAOYSA-N 1 1 223.360 2.417 20 30 BEEDMO C#CC[N@@H+](Cc1cccc(C#N)n1)C1CCCC1 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BEEDMO C=C(C)[C@H](CO)[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800472071 644834783 /nfs/dbraw/zinc/83/47/83/644834783.db2.gz GQKBSKNYHLAVLS-HNNXBMFYSA-N 1 1 249.329 2.429 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000801924713 644844371 /nfs/dbraw/zinc/84/43/71/644844371.db2.gz TYNMSJKZTCTTEM-GXTWGEPZSA-N 1 1 230.311 2.362 20 30 BEEDMO C=CC[N@@H+](CN1C[C@](C)(CC)CC1=O)C(C)C ZINC000808142632 644875867 /nfs/dbraw/zinc/87/58/67/644875867.db2.gz WHRIOIKCKKDRRK-CQSZACIVSA-N 1 1 238.375 2.489 20 30 BEEDMO C=CC[N@H+](CN1C[C@](C)(CC)CC1=O)C(C)C ZINC000808142632 644875872 /nfs/dbraw/zinc/87/58/72/644875872.db2.gz WHRIOIKCKKDRRK-CQSZACIVSA-N 1 1 238.375 2.489 20 30 BEEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000304245841 644882490 /nfs/dbraw/zinc/88/24/90/644882490.db2.gz VHSKBILQXJDAIX-CYBMUJFWSA-N 1 1 223.291 2.367 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000304277841 644884852 /nfs/dbraw/zinc/88/48/52/644884852.db2.gz WSMYMQFRKRQWLR-RYUDHWBXSA-N 1 1 224.348 2.283 20 30 BEEDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC#N ZINC000809573175 644891505 /nfs/dbraw/zinc/89/15/05/644891505.db2.gz ZJIARMOZCHLDJY-GFCCVEGCSA-N 1 1 238.718 2.046 20 30 BEEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000304376848 644898554 /nfs/dbraw/zinc/89/85/54/644898554.db2.gz PTNONMJCGUCKGY-RWMBFGLXSA-N 1 1 224.348 2.426 20 30 BEEDMO C[NH+]1CCN(N=C2CC(c3ccccc3)C2)CC1 ZINC000814686318 644944450 /nfs/dbraw/zinc/94/44/50/644944450.db2.gz YQCNEKYGAPUMFK-UHFFFAOYSA-N 1 1 243.354 2.167 20 30 BEEDMO Cc1cc(C[N@H+](C)CCC#N)ccc1N(C)C ZINC000815059979 644948886 /nfs/dbraw/zinc/94/88/86/644948886.db2.gz GRXRIVVIASUNRP-UHFFFAOYSA-N 1 1 231.343 2.407 20 30 BEEDMO Cc1cc(C[N@@H+](C)CCC#N)ccc1N(C)C ZINC000815059979 644948890 /nfs/dbraw/zinc/94/88/90/644948890.db2.gz GRXRIVVIASUNRP-UHFFFAOYSA-N 1 1 231.343 2.407 20 30 BEEDMO CCCCCCCC[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000817283483 644970473 /nfs/dbraw/zinc/97/04/73/644970473.db2.gz XVENJMXUTOCECN-ZDUSSCGKSA-N 1 1 240.391 2.415 20 30 BEEDMO N#CCCNC1CCC([NH+]2CCCCC2)CC1 ZINC000819142863 645007517 /nfs/dbraw/zinc/00/75/17/645007517.db2.gz SKAMJXCHNUHFDD-UHFFFAOYSA-N 1 1 235.375 2.287 20 30 BEEDMO C[N@H+](C[C@](C)(O)c1ccccc1)CC1(C#N)CC1 ZINC000823606269 645047185 /nfs/dbraw/zinc/04/71/85/645047185.db2.gz RBPJFDWAWGRPFG-AWEZNQCLSA-N 1 1 244.338 2.130 20 30 BEEDMO C[N@@H+](C[C@](C)(O)c1ccccc1)CC1(C#N)CC1 ZINC000823606269 645047192 /nfs/dbraw/zinc/04/71/92/645047192.db2.gz RBPJFDWAWGRPFG-AWEZNQCLSA-N 1 1 244.338 2.130 20 30 BEEDMO COC[C@@H](C)Oc1ccc(C[NH2+]CCC#N)cc1 ZINC000825721296 645063723 /nfs/dbraw/zinc/06/37/23/645063723.db2.gz PGTOKYHITBSPOL-GFCCVEGCSA-N 1 1 248.326 2.104 20 30 BEEDMO CC[C@@H]1C[C@H](C[N@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000827650849 645082887 /nfs/dbraw/zinc/08/28/87/645082887.db2.gz WCZOUUGJRRVMKJ-MCIONIFRSA-N 1 1 236.359 2.427 20 30 BEEDMO CC[C@@H]1C[C@@H](C[N@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000827650848 645083369 /nfs/dbraw/zinc/08/33/69/645083369.db2.gz WCZOUUGJRRVMKJ-BFHYXJOUSA-N 1 1 236.359 2.427 20 30 BEEDMO Cc1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1O ZINC000827651067 645083442 /nfs/dbraw/zinc/08/34/42/645083442.db2.gz ZFOTVLGAIFYEGZ-AWEZNQCLSA-N 1 1 230.311 2.436 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCCCOC)C1 ZINC000829784319 645110628 /nfs/dbraw/zinc/11/06/28/645110628.db2.gz IOCJXSUKHOGHBQ-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCCn2ccnc2C)C1 ZINC000829804567 645111965 /nfs/dbraw/zinc/11/19/65/645111965.db2.gz JDWYXRUWZIZPFY-HNNXBMFYSA-N 1 1 245.370 2.317 20 30 BEEDMO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)CC#N)n1 ZINC000926569756 645290031 /nfs/dbraw/zinc/29/00/31/645290031.db2.gz SXJNOJXNYVKVKF-SNVBAGLBSA-N 1 1 249.362 2.197 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926687493 645357752 /nfs/dbraw/zinc/35/77/52/645357752.db2.gz YUJUVTHOIRTOHY-VWYCJHECSA-N 1 1 247.346 2.202 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000847017308 645413922 /nfs/dbraw/zinc/41/39/22/645413922.db2.gz BRMFVCZHVNXOED-JTQLQIEISA-N 1 1 242.160 2.259 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2CCC(=O)CC2)C1 ZINC000847018242 645416576 /nfs/dbraw/zinc/41/65/76/645416576.db2.gz IDVQPJAATAYEEJ-GFCCVEGCSA-N 1 1 219.328 2.091 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000847031584 645422309 /nfs/dbraw/zinc/42/23/09/645422309.db2.gz RSRGMOXYYZUAFU-CYBMUJFWSA-N 1 1 244.338 2.159 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000847031584 645422317 /nfs/dbraw/zinc/42/23/17/645422317.db2.gz RSRGMOXYYZUAFU-CYBMUJFWSA-N 1 1 244.338 2.159 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000862446810 645697181 /nfs/dbraw/zinc/69/71/81/645697181.db2.gz FLVWWPPTAFGXPC-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000862447092 645698228 /nfs/dbraw/zinc/69/82/28/645698228.db2.gz IRCMVOIAPBAXFS-GFCCVEGCSA-N 1 1 241.338 2.199 20 30 BEEDMO C=CC1CC[NH+]([C@@H](C)C(=O)OCCC)CC1 ZINC000119682057 645707546 /nfs/dbraw/zinc/70/75/46/645707546.db2.gz VNFCGCYWMGRUGG-NSHDSACASA-N 1 1 225.332 2.226 20 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C#Cc1ccc(NC(=O)CC[N@H+](C)C2CC2)cc1 ZINC000929275615 646053548 /nfs/dbraw/zinc/05/35/48/646053548.db2.gz WQIKXRBFHIKNCR-UHFFFAOYSA-N 1 1 242.322 2.091 20 30 BEEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1CO ZINC000929358813 646093795 /nfs/dbraw/zinc/09/37/95/646093795.db2.gz LDYRQTCOPQJLEB-CQSZACIVSA-N 1 1 244.338 2.132 20 30 BEEDMO Cc1ccccc1C[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000929368146 646101110 /nfs/dbraw/zinc/10/11/10/646101110.db2.gz KAMUZEDKZYZOAF-OAHLLOKOSA-N 1 1 244.338 2.234 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)CCCc1cccnc1 ZINC000929473333 646131310 /nfs/dbraw/zinc/13/13/10/646131310.db2.gz YDGPBTOCLALDDF-GFCCVEGCSA-N 1 1 217.316 2.106 20 30 BEEDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)CC#N ZINC000929469260 646131751 /nfs/dbraw/zinc/13/17/51/646131751.db2.gz LMHIHYGXIBHTLH-CYBMUJFWSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCCO1 ZINC000929489792 646146047 /nfs/dbraw/zinc/14/60/47/646146047.db2.gz VQGCRJKZMSTIEC-HSBZDZAISA-N 1 1 236.359 2.427 20 30 BEEDMO C=C1CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000929604500 646195217 /nfs/dbraw/zinc/19/52/17/646195217.db2.gz RRQKAIDHCNWNCD-UHFFFAOYSA-N 1 1 205.305 2.179 20 30 BEEDMO C[N@@H+](CCN1CCCC1)CC1CCC(C#N)CC1 ZINC000929632781 646207395 /nfs/dbraw/zinc/20/73/95/646207395.db2.gz VKMOWCKOYSKEPU-UHFFFAOYSA-N 1 1 249.402 2.344 20 30 BEEDMO CN(CC[NH+]1CCCC1)CC1CCC(C#N)CC1 ZINC000929632781 646207399 /nfs/dbraw/zinc/20/73/99/646207399.db2.gz VKMOWCKOYSKEPU-UHFFFAOYSA-N 1 1 249.402 2.344 20 30 BEEDMO CC[N@@H+](CC1CCC(C#N)CC1)CC(C)(C)O ZINC000929643566 646217573 /nfs/dbraw/zinc/21/75/73/646217573.db2.gz GHKPUIBLHJAOND-UHFFFAOYSA-N 1 1 238.375 2.409 20 30 BEEDMO CC[C@@H]1COCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929659257 646229441 /nfs/dbraw/zinc/22/94/41/646229441.db2.gz GJEVGKXWNQNKLB-JXQTWKCFSA-N 1 1 236.359 2.427 20 30 BEEDMO CC(C)(C)C[N@@H+](CCC#N)CCOC1CC1 ZINC000929692255 646246807 /nfs/dbraw/zinc/24/68/07/646246807.db2.gz ZSJXLMZWDFLGEL-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO CC(C)(C)C[N@H+](CCC#N)CCOC1CC1 ZINC000929692255 646246811 /nfs/dbraw/zinc/24/68/11/646246811.db2.gz ZSJXLMZWDFLGEL-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@@H](O)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929706697 646262484 /nfs/dbraw/zinc/26/24/84/646262484.db2.gz RQOXXOLLTZJIOR-SECBINFHSA-N 1 1 238.718 2.024 20 30 BEEDMO CCC[C@]1(C)CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929758336 646291860 /nfs/dbraw/zinc/29/18/60/646291860.db2.gz DUECAEXDQNKDII-CHWSQXEVSA-N 1 1 224.348 2.163 20 30 BEEDMO COCC[N@@H+](CCC#N)CC1CCC(C#N)CC1 ZINC000929775838 646294662 /nfs/dbraw/zinc/29/46/62/646294662.db2.gz VTTPSTSCKGVKHD-UHFFFAOYSA-N 1 1 249.358 2.178 20 30 BEEDMO C#CC[N@@H+](CC)Cc1c(C)noc1CC ZINC000929785626 646314215 /nfs/dbraw/zinc/31/42/15/646314215.db2.gz BSZCBHLRVJNXCZ-UHFFFAOYSA-N 1 1 206.289 2.001 20 30 BEEDMO C#CC[N@H+](CC)Cc1c(C)noc1CC ZINC000929785626 646314220 /nfs/dbraw/zinc/31/42/20/646314220.db2.gz BSZCBHLRVJNXCZ-UHFFFAOYSA-N 1 1 206.289 2.001 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929789703 646319608 /nfs/dbraw/zinc/31/96/08/646319608.db2.gz XXOISNWPJQTFFV-MNOVXSKESA-N 1 1 249.276 2.442 20 30 BEEDMO C[C@@H]([NH3+])[C@H](NCCCCC#N)c1ccccc1 ZINC000925607460 646357905 /nfs/dbraw/zinc/35/79/05/646357905.db2.gz BNJLAUHLRNAUNO-OCCSQVGLSA-N 1 1 231.343 2.358 20 30 BEEDMO CC(C)[N@@H+](C[C@H](O)CC#N)C1CCCCC1 ZINC000929951579 646377410 /nfs/dbraw/zinc/37/74/10/646377410.db2.gz XVLDKAXNECCCDJ-CYBMUJFWSA-N 1 1 224.348 2.304 20 30 BEEDMO C[C@@H](c1ccco1)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000930024950 646398782 /nfs/dbraw/zinc/39/87/82/646398782.db2.gz WIKIGINFGBGWOL-CMPLNLGQSA-N 1 1 234.299 2.080 20 30 BEEDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000930024950 646398787 /nfs/dbraw/zinc/39/87/87/646398787.db2.gz WIKIGINFGBGWOL-CMPLNLGQSA-N 1 1 234.299 2.080 20 30 BEEDMO C=CCCCCCCCN[C@H]1C[NH2+]CCOC1 ZINC000925669589 646400448 /nfs/dbraw/zinc/40/04/48/646400448.db2.gz VXHZGUIIHAULDN-AWEZNQCLSA-N 1 1 240.391 2.091 20 30 BEEDMO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925670959 646401005 /nfs/dbraw/zinc/40/10/05/646401005.db2.gz BIRDQTJPZNTWKH-RYUDHWBXSA-N 1 1 235.375 2.176 20 30 BEEDMO C=CCC(C)(C)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925674959 646405526 /nfs/dbraw/zinc/40/55/26/646405526.db2.gz BSIAMJNADTWEIC-LLVKDONJSA-N 1 1 210.365 2.319 20 30 BEEDMO C=CCC(C)(C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925678728 646406732 /nfs/dbraw/zinc/40/67/32/646406732.db2.gz WZBFJCFZISHXFI-GFCCVEGCSA-N 1 1 222.376 2.463 20 30 BEEDMO C[C@H]1COCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930084803 646426728 /nfs/dbraw/zinc/42/67/28/646426728.db2.gz CXSHMFZFWTUOBH-IYXRBSQSSA-N 1 1 236.359 2.285 20 30 BEEDMO C=CCCCCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925702308 646427930 /nfs/dbraw/zinc/42/79/30/646427930.db2.gz NFSOSDJGNSVBDB-GFCCVEGCSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925704624 646429723 /nfs/dbraw/zinc/42/97/23/646429723.db2.gz ICKLGTONHKKDEJ-AAEUAGOBSA-N 1 1 204.317 2.241 20 30 BEEDMO C=CC[N@H+](Cc1cc(C)nnc1C)C1CC1 ZINC000930176528 646476882 /nfs/dbraw/zinc/47/68/82/646476882.db2.gz TVRQPCINDMYBSB-UHFFFAOYSA-N 1 1 217.316 2.244 20 30 BEEDMO C[C@@H](NC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C#N)c1 ZINC000925784204 646481121 /nfs/dbraw/zinc/48/11/21/646481121.db2.gz IFJXBCKNJVFRKN-JMSVASOKSA-N 1 1 243.354 2.064 20 30 BEEDMO CC(C)n1cc([C@H](C)[NH2+]CC2(CC#N)CC2)nn1 ZINC000926344317 646622643 /nfs/dbraw/zinc/62/26/43/646622643.db2.gz KIHZAQHAOJFPFR-NSHDSACASA-N 1 1 247.346 2.203 20 30 BEEDMO CC(C)c1nnc(C[NH2+][C@H](C)CC(C)(C)C#N)[nH]1 ZINC000926505623 646665304 /nfs/dbraw/zinc/66/53/04/646665304.db2.gz IXARKLXOOPWOAS-SNVBAGLBSA-N 1 1 249.362 2.346 20 30 BEEDMO C#CCCCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724812392 711616443 /nfs/dbraw/zinc/61/64/43/711616443.db2.gz PYAWNIAFOWSJQS-KGLIPLIRSA-N 1 1 221.344 2.291 20 30 BEEDMO C#C[C@@H](C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000309162758 711662754 /nfs/dbraw/zinc/66/27/54/711662754.db2.gz ZSWVNYPZILRGPV-SSDOTTSWSA-N 1 1 227.666 2.296 20 30 BEEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001027280218 711724137 /nfs/dbraw/zinc/72/41/37/711724137.db2.gz OWELGQANMOZSSR-CYBMUJFWSA-N 1 1 236.359 2.061 20 30 BEEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721829790 711777947 /nfs/dbraw/zinc/77/79/47/711777947.db2.gz APLPICYLFIPELK-LBPRGKRZSA-N 1 1 238.375 2.409 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391794 711788999 /nfs/dbraw/zinc/78/89/99/711788999.db2.gz AXFYRINPSOWGGC-LLVKDONJSA-N 1 1 233.315 2.159 20 30 BEEDMO C#C[C@H]([NH2+]C1CCN(CCC)CC1)C(C)(C)C ZINC000702229022 712043264 /nfs/dbraw/zinc/04/32/64/712043264.db2.gz SVBGZBKEGTXSTG-AWEZNQCLSA-N 1 1 236.403 2.498 20 30 BEEDMO C#C[C@H](NC1CC[NH+](CCC)CC1)C(C)(C)C ZINC000702229022 712043266 /nfs/dbraw/zinc/04/32/66/712043266.db2.gz SVBGZBKEGTXSTG-AWEZNQCLSA-N 1 1 236.403 2.498 20 30 BEEDMO C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(C)(C)C ZINC000705315296 712128707 /nfs/dbraw/zinc/12/87/07/712128707.db2.gz FXXSTPGGIHECTL-WTUNAVPPSA-N 1 1 234.387 2.249 20 30 BEEDMO C#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000705315296 712128708 /nfs/dbraw/zinc/12/87/08/712128708.db2.gz FXXSTPGGIHECTL-WTUNAVPPSA-N 1 1 234.387 2.249 20 30 BEEDMO C#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000705315296 712128711 /nfs/dbraw/zinc/12/87/11/712128711.db2.gz FXXSTPGGIHECTL-WTUNAVPPSA-N 1 1 234.387 2.249 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708815975 712199161 /nfs/dbraw/zinc/19/91/61/712199161.db2.gz ANDFADLXFVMNLV-GXTWGEPZSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708815985 712199623 /nfs/dbraw/zinc/19/96/23/712199623.db2.gz ANDFADLXFVMNLV-TZMCWYRMSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccon1 ZINC000709997338 712238854 /nfs/dbraw/zinc/23/88/54/712238854.db2.gz PFZGGPZGVHNZTA-SECBINFHSA-N 1 1 207.277 2.093 20 30 BEEDMO C=C(Br)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000606290792 712352553 /nfs/dbraw/zinc/35/25/53/712352553.db2.gz PFADEBRBORLFNB-ZJUUUORDSA-N 1 1 248.164 2.394 20 30 BEEDMO C=C(Br)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000606290792 712352554 /nfs/dbraw/zinc/35/25/54/712352554.db2.gz PFADEBRBORLFNB-ZJUUUORDSA-N 1 1 248.164 2.394 20 30 BEEDMO C#CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780385223 712416557 /nfs/dbraw/zinc/41/65/57/712416557.db2.gz NJVOJCATSWNGAI-IUCAKERBSA-N 1 1 205.223 2.282 20 30 BEEDMO C[C@@H]([NH2+]CCC#N)c1ccc(N(C)C)cc1 ZINC000037240215 712556591 /nfs/dbraw/zinc/55/65/91/712556591.db2.gz WMAOEKZUILIBOW-LLVKDONJSA-N 1 1 217.316 2.317 20 30 BEEDMO CC#CC[N@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000930590683 712713004 /nfs/dbraw/zinc/71/30/04/712713004.db2.gz WQQTUFCPJYLUFW-JTQLQIEISA-N 1 1 206.264 2.237 20 30 BEEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(F)nc1 ZINC000930590683 712713007 /nfs/dbraw/zinc/71/30/07/712713007.db2.gz WQQTUFCPJYLUFW-JTQLQIEISA-N 1 1 206.264 2.237 20 30 BEEDMO C[N@H+](CCc1ccns1)[C@@H]1CCC[C@@H]1C#N ZINC000931474588 712714361 /nfs/dbraw/zinc/71/43/61/712714361.db2.gz GKEFQIBEBMIASL-ZYHUDNBSSA-N 1 1 235.356 2.310 20 30 BEEDMO C[N@@H+](CCc1ccns1)[C@@H]1CCC[C@@H]1C#N ZINC000931474588 712714363 /nfs/dbraw/zinc/71/43/63/712714363.db2.gz GKEFQIBEBMIASL-ZYHUDNBSSA-N 1 1 235.356 2.310 20 30 BEEDMO Cc1cc(-n2c[nH+]c3cccc(N)c32)cnc1C#N ZINC001210204495 1169521658 /nfs/dbraw/zinc/52/16/58/1169521658.db2.gz ZSPWEGPKFCVNSB-UHFFFAOYSA-N 1 1 249.277 2.183 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000384124577 710618374 /nfs/dbraw/zinc/61/83/74/710618374.db2.gz ASNNSOGOCBPERS-UONOGXRCSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCCCN1C ZINC000384124577 710618378 /nfs/dbraw/zinc/61/83/78/710618378.db2.gz ASNNSOGOCBPERS-UONOGXRCSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@](C)(CC)NCC[C@@H]1CCCC[N@@H+]1C ZINC000384124577 710618383 /nfs/dbraw/zinc/61/83/83/710618383.db2.gz ASNNSOGOCBPERS-UONOGXRCSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@](C)(CC)NCC[C@@H]1CCCC[N@H+]1C ZINC000384124577 710618385 /nfs/dbraw/zinc/61/83/85/710618385.db2.gz ASNNSOGOCBPERS-UONOGXRCSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)c1ccco1)[C@H]1CCCO1 ZINC000381317564 710622800 /nfs/dbraw/zinc/62/28/00/710622800.db2.gz NOALDGCOUQGSQK-GMXVVIOVSA-N 1 1 219.284 2.111 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cccs1 ZINC000393737903 710671352 /nfs/dbraw/zinc/67/13/52/710671352.db2.gz ZAWHFMPLWCQHCD-JTQLQIEISA-N 1 1 224.329 2.109 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039018951 710718594 /nfs/dbraw/zinc/71/85/94/710718594.db2.gz MNCLQOHRTQJOEC-CQSZACIVSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001039018951 710718598 /nfs/dbraw/zinc/71/85/98/710718598.db2.gz MNCLQOHRTQJOEC-CQSZACIVSA-N 1 1 248.370 2.109 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000724156594 710738014 /nfs/dbraw/zinc/73/80/14/710738014.db2.gz KSEQOMJLXKWAHA-ZIAGYGMSSA-N 1 1 230.311 2.167 20 30 BEEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCO[C@H](C)C#N ZINC000384274819 710849526 /nfs/dbraw/zinc/84/95/26/710849526.db2.gz BVNDCCPGJUMYHP-QJPTWQEYSA-N 1 1 210.321 2.035 20 30 BEEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC=CCC2)C1 ZINC001046134634 710849889 /nfs/dbraw/zinc/84/98/89/710849889.db2.gz DQUYKYNBFMQMKZ-ZFWWWQNUSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C=C(C)C ZINC001049293669 710900050 /nfs/dbraw/zinc/90/00/50/710900050.db2.gz VPNXYMKDWGCXSJ-ZIAGYGMSSA-N 1 1 248.370 2.204 20 30 BEEDMO C[N@@H+](CCOCCC#N)CCC(C)(C)C ZINC000399838776 710912842 /nfs/dbraw/zinc/91/28/42/710912842.db2.gz KKRDFNBVWIRCDZ-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001052127345 710959716 /nfs/dbraw/zinc/95/97/16/710959716.db2.gz VUZJBXSYRSTQIN-LLVKDONJSA-N 1 1 244.766 2.120 20 30 BEEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccoc2)CC1 ZINC001052203412 710964481 /nfs/dbraw/zinc/96/44/81/710964481.db2.gz BAWIYTPCZHZUIQ-ZDUSSCGKSA-N 1 1 248.326 2.050 20 30 BEEDMO Cc1ccc(C[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000384142584 710990396 /nfs/dbraw/zinc/99/03/96/710990396.db2.gz NLCYKUOERXBIJN-CYBMUJFWSA-N 1 1 232.327 2.356 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]Cc1nccn1C(F)F ZINC000384230711 710993118 /nfs/dbraw/zinc/99/31/18/710993118.db2.gz XDPVMSIIBCNANE-NSHDSACASA-N 1 1 227.258 2.170 20 30 BEEDMO C#CC[N@H+](C)CCCNCc1cccc(C)c1F ZINC000384485417 710994264 /nfs/dbraw/zinc/99/42/64/710994264.db2.gz IEGDEHNHEOJTRZ-UHFFFAOYSA-N 1 1 248.345 2.179 20 30 BEEDMO C#CC[N@@H+](C)CCCNCc1cccc(C)c1F ZINC000384485417 710994266 /nfs/dbraw/zinc/99/42/66/710994266.db2.gz IEGDEHNHEOJTRZ-UHFFFAOYSA-N 1 1 248.345 2.179 20 30 BEEDMO COc1cccc(C[N@@H+](C)CCO[C@@H](C)C#N)c1 ZINC000385473433 711013512 /nfs/dbraw/zinc/01/35/12/711013512.db2.gz HEHGRZKXEMKWMK-LBPRGKRZSA-N 1 1 248.326 2.056 20 30 BEEDMO CCC[N@H+]1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000389227363 711073021 /nfs/dbraw/zinc/07/30/21/711073021.db2.gz HPTYZFOWEMRHNZ-INIZCTEOSA-N 1 1 242.366 2.112 20 30 BEEDMO CCCN1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000389227363 711073025 /nfs/dbraw/zinc/07/30/25/711073025.db2.gz HPTYZFOWEMRHNZ-INIZCTEOSA-N 1 1 242.366 2.112 20 30 BEEDMO C[C@@H](CC#N)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000393351704 711157801 /nfs/dbraw/zinc/15/78/01/711157801.db2.gz XGJPBDDTTBCKQN-BQBZGAKWSA-N 1 1 207.104 2.072 20 30 BEEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCO[C@@H](C)C#N ZINC000393756750 711172188 /nfs/dbraw/zinc/17/21/88/711172188.db2.gz BNVZFATYQREQJS-SDDRHHMPSA-N 1 1 210.321 2.035 20 30 BEEDMO CC(=[NH+]NCC(C)C)c1cc(N)ccc1F ZINC000393915616 711179608 /nfs/dbraw/zinc/17/96/08/711179608.db2.gz ZOWWXCMAHIGSPC-UHFFFAOYSA-N 1 1 223.295 2.378 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(C)s1 ZINC000394741378 711196880 /nfs/dbraw/zinc/19/68/80/711196880.db2.gz GPEKLVISIDQODS-LLVKDONJSA-N 1 1 208.330 2.343 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(C(C)C)n1 ZINC000384206684 710832961 /nfs/dbraw/zinc/83/29/61/710832961.db2.gz NMJLUJGLOIWXFZ-CYBMUJFWSA-N 1 1 219.332 2.356 20 30 BEEDMO N#CC1(C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000903109269 710892168 /nfs/dbraw/zinc/89/21/68/710892168.db2.gz LTRNHWMJWHTOKY-CYBMUJFWSA-N 1 1 227.311 2.352 20 30 BEEDMO CC(C)C[C@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC000396919965 711372645 /nfs/dbraw/zinc/37/26/45/711372645.db2.gz QIDAKQATYWTAJT-QWHCGFSZSA-N 1 1 224.348 2.426 20 30 BEEDMO CC[C@H](C[N@@H+](CCC#N)CC(C)C)OC ZINC000397106065 711376529 /nfs/dbraw/zinc/37/65/29/711376529.db2.gz ONJYAEOHHUZIIY-GFCCVEGCSA-N 1 1 212.337 2.283 20 30 BEEDMO CC[C@@H](C[N@@H+](CCC#N)CC(C)C)OC ZINC000397106068 711376842 /nfs/dbraw/zinc/37/68/42/711376842.db2.gz ONJYAEOHHUZIIY-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO CCCCCCCCC[N@H+]1CCOC[C@@H](O)C1 ZINC000399887095 711436575 /nfs/dbraw/zinc/43/65/75/711436575.db2.gz VYSXFTSSZSJCKB-AWEZNQCLSA-N 1 1 243.391 2.430 20 30 BEEDMO C[C@H](CC#N)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000393351707 711468006 /nfs/dbraw/zinc/46/80/06/711468006.db2.gz XGJPBDDTTBCKQN-RQJHMYQMSA-N 1 1 207.104 2.072 20 30 BEEDMO C[N@@H+](CCNc1ccnc(C#N)c1)C1CCCC1 ZINC000071377529 711494735 /nfs/dbraw/zinc/49/47/35/711494735.db2.gz CAYCSKMIWCXFLK-UHFFFAOYSA-N 1 1 244.342 2.240 20 30 BEEDMO N#CC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891853033 711553008 /nfs/dbraw/zinc/55/30/08/711553008.db2.gz ZIFLZRXKNJNSNL-UHFFFAOYSA-N 1 1 244.342 2.344 20 30 BEEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cncc(C#N)c2)[C@H]1C ZINC000721498732 711563600 /nfs/dbraw/zinc/56/36/00/711563600.db2.gz CGUJRQHUCYKAOB-UTUOFQBUSA-N 1 1 229.327 2.430 20 30 BEEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000724157050 711565063 /nfs/dbraw/zinc/56/50/63/711565063.db2.gz LEESXFDLJLHLHY-WDEREUQCSA-N 1 1 210.321 2.035 20 30 BEEDMO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cc(C#N)ccc1F ZINC000724161534 711565112 /nfs/dbraw/zinc/56/51/12/711565112.db2.gz XWALKARICBHMFV-KBPBESRZSA-N 1 1 248.301 2.307 20 30 BEEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000724161534 711565113 /nfs/dbraw/zinc/56/51/13/711565113.db2.gz XWALKARICBHMFV-KBPBESRZSA-N 1 1 248.301 2.307 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccccc1C#N ZINC000724159400 711565172 /nfs/dbraw/zinc/56/51/72/711565172.db2.gz PREGMXLYTFEKCZ-ZIAGYGMSSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccccc1C#N ZINC000724159400 711565175 /nfs/dbraw/zinc/56/51/75/711565175.db2.gz PREGMXLYTFEKCZ-ZIAGYGMSSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163431 711566025 /nfs/dbraw/zinc/56/60/25/711566025.db2.gz PJBRAUWUZFLTNP-LSDHHAIUSA-N 1 1 244.338 2.362 20 30 BEEDMO C=C1CCC(CN[C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000724445105 711580823 /nfs/dbraw/zinc/58/08/23/711580823.db2.gz RNUCLMKTQGWTCP-GXTWGEPZSA-N 1 1 222.376 2.463 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926365 711645077 /nfs/dbraw/zinc/64/50/77/711645077.db2.gz IDZZCDFTDFCCCN-UHFFFAOYSA-N 1 1 226.663 2.437 20 30 BEEDMO C=C(Cl)CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000177838412 711672613 /nfs/dbraw/zinc/67/26/13/711672613.db2.gz ISBMMPPJEBUDTO-LLVKDONJSA-N 1 1 216.756 2.013 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038046782 711676856 /nfs/dbraw/zinc/67/68/56/711676856.db2.gz WDCQSWMYZNYYQK-KGLIPLIRSA-N 1 1 248.370 2.109 20 30 BEEDMO CC[N@@H+](CCO[C@@H](C)C#N)CC1CCC1 ZINC000389396582 711765504 /nfs/dbraw/zinc/76/55/04/711765504.db2.gz ZHKCKAPPXGMGNQ-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000591476915 711827771 /nfs/dbraw/zinc/82/77/71/711827771.db2.gz WZHMVDRNXHWKOH-OLZOCXBDSA-N 1 1 237.343 2.226 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCOCC(C)C)C1 ZINC000829815489 711854253 /nfs/dbraw/zinc/85/42/53/711854253.db2.gz MRGIJVGPVDCRNW-CQSZACIVSA-N 1 1 223.360 2.394 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000829815940 711854094 /nfs/dbraw/zinc/85/40/94/711854094.db2.gz WHYLKMYKOHOHAV-UONOGXRCSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000829815822 711854328 /nfs/dbraw/zinc/85/43/28/711854328.db2.gz ULRVZOINXSEAQF-CHWSQXEVSA-N 1 1 223.360 2.129 20 30 BEEDMO CC1(C)C[N@@H+](C[C@H](O)CC#N)Cc2ccccc21 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CC[N@@H+](CCOC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204362 972921723 /nfs/dbraw/zinc/92/17/23/972921723.db2.gz WQWDGVVWELCDHP-ZDUSSCGKSA-N 1 1 246.354 2.458 20 30 BEEDMO CC[N@H+](CCC#N)Cc1ccc(OC)c(N)c1 ZINC000042450319 973051953 /nfs/dbraw/zinc/05/19/53/973051953.db2.gz UJZVOFARMPROJZ-UHFFFAOYSA-N 1 1 233.315 2.013 20 30 BEEDMO CC[N@@H+](CCC#N)Cc1ccc(OC)c(N)c1 ZINC000042450319 973051964 /nfs/dbraw/zinc/05/19/64/973051964.db2.gz UJZVOFARMPROJZ-UHFFFAOYSA-N 1 1 233.315 2.013 20 30 BEEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@@]4(N)C3)C[C@H](C1)C2 ZINC001246869570 973224637 /nfs/dbraw/zinc/22/46/37/973224637.db2.gz MOPFXBXDHWWIHE-VVYWCFLBSA-N 1 1 232.371 2.154 20 30 BEEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nccn2C(C)C)C1 ZINC001328656830 973235466 /nfs/dbraw/zinc/23/54/66/973235466.db2.gz XWQJEIKSLNSAFD-CYBMUJFWSA-N 1 1 249.358 2.241 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](Cc2nccn2C(C)C)C1 ZINC001328656830 973235479 /nfs/dbraw/zinc/23/54/79/973235479.db2.gz XWQJEIKSLNSAFD-CYBMUJFWSA-N 1 1 249.358 2.241 20 30 BEEDMO C=CCOc1ccccc1COC1C[NH+](CC)C1 ZINC001223784902 973272100 /nfs/dbraw/zinc/27/21/00/973272100.db2.gz CCZVJFHPWIHXPO-UHFFFAOYSA-N 1 1 247.338 2.472 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001328955787 973399426 /nfs/dbraw/zinc/39/94/26/973399426.db2.gz BACYPTFDYIIYGV-MRXNPFEDSA-N 1 1 243.350 2.383 20 30 BEEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)nn2C)C1 ZINC001329066810 973461596 /nfs/dbraw/zinc/46/15/96/973461596.db2.gz JLTWKYBZSOIKCA-LBPRGKRZSA-N 1 1 219.332 2.127 20 30 BEEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC001329397555 973733282 /nfs/dbraw/zinc/73/32/82/973733282.db2.gz PICQFJBPICXPFZ-CHWSQXEVSA-N 1 1 240.391 2.435 20 30 BEEDMO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)C(C)C ZINC001329517175 973797540 /nfs/dbraw/zinc/79/75/40/973797540.db2.gz SMNKPTYARPYGMJ-STQMWFEESA-N 1 1 240.391 2.434 20 30 BEEDMO CCC#C[C@H](C)OC[C@H]1CCCC[N@H+]1C ZINC001224708338 973878101 /nfs/dbraw/zinc/87/81/01/973878101.db2.gz XKUCRQMIEYOCIT-QWHCGFSZSA-N 1 1 209.333 2.289 20 30 BEEDMO C#CC[N@H+](Cc1ccncc1C)CC1CC1 ZINC001329710252 973895679 /nfs/dbraw/zinc/89/56/79/973895679.db2.gz KBWBFUUDKDYYTC-UHFFFAOYSA-N 1 1 214.312 2.235 20 30 BEEDMO C#C[C@H](CC(C)C)OC[C@@H]1CCC[N@H+]1C ZINC001224816816 973993876 /nfs/dbraw/zinc/99/38/76/973993876.db2.gz AUQMOANGAYKVRC-QWHCGFSZSA-N 1 1 209.333 2.145 20 30 BEEDMO C=CCC[C@@H](CC)OCCC[NH+]1CCOCC1 ZINC001224866132 974032525 /nfs/dbraw/zinc/03/25/25/974032525.db2.gz DQMVZPSZHFVRDX-CQSZACIVSA-N 1 1 241.375 2.470 20 30 BEEDMO CN(C)c1ncccc1C=[NH+]OCC1CCC1 ZINC001330028866 974078199 /nfs/dbraw/zinc/07/81/99/974078199.db2.gz HDGQTQINNGVJRQ-UHFFFAOYSA-N 1 1 233.315 2.298 20 30 BEEDMO C#CCN(C)[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171763269 974147012 /nfs/dbraw/zinc/14/70/12/974147012.db2.gz OYPYWQHAVHNZAB-HOCLYGCPSA-N 1 1 242.366 2.214 20 30 BEEDMO C=CC[N@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171804203 974193588 /nfs/dbraw/zinc/19/35/88/974193588.db2.gz AIGCWQWNQUMXBS-NSHDSACASA-N 1 1 205.276 2.411 20 30 BEEDMO CCc1[nH]c(CN2CC[C@](C)(C#N)C2)c(C)[nH+]1 ZINC001203250268 974224450 /nfs/dbraw/zinc/22/44/50/974224450.db2.gz DRELFDGXHAQYGR-CYBMUJFWSA-N 1 1 232.331 2.016 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206154433 974328828 /nfs/dbraw/zinc/32/88/28/974328828.db2.gz IZVZEBHUXMFVTL-CHWSQXEVSA-N 1 1 228.355 2.494 20 30 BEEDMO C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099333 974342534 /nfs/dbraw/zinc/34/25/34/974342534.db2.gz JIYTVKSWRBZQKI-XYYAHUGASA-N 1 1 220.360 2.003 20 30 BEEDMO C[NH+](C)Cc1ncccc1O[C@@H]1CC[C@H](C#N)C1 ZINC001225278143 974344302 /nfs/dbraw/zinc/34/43/02/974344302.db2.gz BOFRMAXAEGCTBR-NWDGAFQWSA-N 1 1 245.326 2.214 20 30 BEEDMO C=C(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172099860 974344357 /nfs/dbraw/zinc/34/43/57/974344357.db2.gz NNBLEXOEFGTEJX-XYYAHUGASA-N 1 1 208.349 2.167 20 30 BEEDMO Cc1nc([C@@H](C)[NH2+]C2CCC(C#N)CC2)no1 ZINC001330638744 974376635 /nfs/dbraw/zinc/37/66/35/974376635.db2.gz JPGOBHFKYYAOKF-MFAVDMRSSA-N 1 1 234.303 2.111 20 30 BEEDMO N#CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172185677 974397295 /nfs/dbraw/zinc/39/72/95/974397295.db2.gz AOASPRVJSCFZEX-LLVKDONJSA-N 1 1 218.325 2.207 20 30 BEEDMO N#C[C@H]1CCC[N@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172242565 974505670 /nfs/dbraw/zinc/50/56/70/974505670.db2.gz YEKUJBZUWGLTGL-FUDCBSFHSA-N 1 1 232.327 2.098 20 30 BEEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241507 974507287 /nfs/dbraw/zinc/50/72/87/974507287.db2.gz BJAIPWMMQMKYMP-RLOQDJFYSA-N 1 1 244.338 2.239 20 30 BEEDMO COCC[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307879 974518709 /nfs/dbraw/zinc/51/87/09/974518709.db2.gz HHOHAFVYCVWACI-LBPRGKRZSA-N 1 1 232.327 2.067 20 30 BEEDMO CC1(C)C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CO1 ZINC001172288887 974554291 /nfs/dbraw/zinc/55/42/91/974554291.db2.gz NGBYVKNMZGGUFJ-FVCCEPFGSA-N 1 1 234.343 2.320 20 30 BEEDMO CCCCCCC[C@H](CC)[NH2+]C[C@H](O)CN ZINC001172347436 974618599 /nfs/dbraw/zinc/61/85/99/974618599.db2.gz UTCFQLUBMZFRMV-QWHCGFSZSA-N 1 1 230.396 2.035 20 30 BEEDMO CCC[N@@H+](CCC#N)[C@H](C)CCOCC ZINC001172426295 974702271 /nfs/dbraw/zinc/70/22/71/974702271.db2.gz CPYIUHXSUOLCEL-GFCCVEGCSA-N 1 1 212.337 2.427 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)CCOCC)C1 ZINC001172429568 974710212 /nfs/dbraw/zinc/71/02/12/974710212.db2.gz ARSLIQIFOIIASK-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO CCOCC[C@@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001172429519 974711628 /nfs/dbraw/zinc/71/16/28/974711628.db2.gz ZXOIGFCZZFMZMP-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc3c2NCCC3)CC1 ZINC001331548532 974759161 /nfs/dbraw/zinc/75/91/61/974759161.db2.gz LRKUPGVQTCZMLE-UHFFFAOYSA-N 1 1 241.338 2.438 20 30 BEEDMO CCOC(=O)[C@@H]([NH2+][C@H](C)CCCC#N)C(C)C ZINC001172479076 974776939 /nfs/dbraw/zinc/77/69/39/974776939.db2.gz IZJWFCABNBJZOQ-NEPJUHHUSA-N 1 1 240.347 2.246 20 30 BEEDMO C[C@@H](CCCC#N)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001172479009 974777089 /nfs/dbraw/zinc/77/70/89/974777089.db2.gz GIYBUBVFZKLZIN-QWRGUYRKSA-N 1 1 240.347 2.389 20 30 BEEDMO CCC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC ZINC001172484296 974785911 /nfs/dbraw/zinc/78/59/11/974785911.db2.gz CAQXQFYZMQNPRC-QWRGUYRKSA-N 1 1 226.320 2.000 20 30 BEEDMO CCOC(=O)[C@@H](CC)[NH2+][C@@H](C)CCCC#N ZINC001172485997 974787884 /nfs/dbraw/zinc/78/78/84/974787884.db2.gz WVQHPPVQEIENTE-WDEREUQCSA-N 1 1 226.320 2.000 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](OC)[C@H](C)CC)C1 ZINC001331727805 974805944 /nfs/dbraw/zinc/80/59/44/974805944.db2.gz IRVSEGCTJAWPER-MCIONIFRSA-N 1 1 241.375 2.324 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@](O)(CF)CC1 ZINC001172490910 974836035 /nfs/dbraw/zinc/83/60/35/974836035.db2.gz AKWUMIFLGKBXAF-QWHCGFSZSA-N 1 1 242.338 2.255 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1C[C@H](CO)CC[C@H]1C ZINC001172492390 974839612 /nfs/dbraw/zinc/83/96/12/974839612.db2.gz KVVXAOIMHFWJAR-JHJVBQTASA-N 1 1 224.348 2.162 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001172493892 974841853 /nfs/dbraw/zinc/84/18/53/974841853.db2.gz OXRNMINCUVUWGQ-UPJWGTAASA-N 1 1 224.348 2.162 20 30 BEEDMO C=C1CC(C)(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001331866169 974843717 /nfs/dbraw/zinc/84/37/17/974843717.db2.gz LLJWQIVMOUGCFM-CYBMUJFWSA-N 1 1 248.370 2.039 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@@H](C)C1 ZINC001172494667 974845416 /nfs/dbraw/zinc/84/54/16/974845416.db2.gz XADSXOZRIQAFCA-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001172494409 974845783 /nfs/dbraw/zinc/84/57/83/974845783.db2.gz UDYDDLXAWRZMLT-NWDGAFQWSA-N 1 1 222.332 2.370 20 30 BEEDMO COC[C@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172494458 974846175 /nfs/dbraw/zinc/84/61/75/974846175.db2.gz UYQGPFUUJAVXNV-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO Cc1ncc(C[N@H+](C)[C@H](C)CCCC#N)cn1 ZINC001172498144 974847080 /nfs/dbraw/zinc/84/70/80/974847080.db2.gz JFUJFWPVDYCTQB-LLVKDONJSA-N 1 1 232.331 2.299 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001172496841 974847178 /nfs/dbraw/zinc/84/71/78/974847178.db2.gz SABWVEIWDAJEDC-NOOOWODRSA-N 1 1 210.296 2.359 20 30 BEEDMO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001172499467 974850237 /nfs/dbraw/zinc/85/02/37/974850237.db2.gz XYZHKCKIQWZNTL-UONOGXRCSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001172499467 974850242 /nfs/dbraw/zinc/85/02/42/974850242.db2.gz XYZHKCKIQWZNTL-UONOGXRCSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1C(C)(C)O ZINC001172499388 974850345 /nfs/dbraw/zinc/85/03/45/974850345.db2.gz WOPZIDVEJMARCD-RYUDHWBXSA-N 1 1 224.348 2.304 20 30 BEEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@H](O)CN ZINC001172500818 974853317 /nfs/dbraw/zinc/85/33/17/974853317.db2.gz AJVQGDWSMWEQKE-UONOGXRCSA-N 1 1 244.423 2.425 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCOCC12CCC2 ZINC001172501741 974853404 /nfs/dbraw/zinc/85/34/04/974853404.db2.gz RDWWXQQYNZGDAY-GFCCVEGCSA-N 1 1 222.332 2.324 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC(=O)C(C)(C)C1 ZINC001172500331 974854983 /nfs/dbraw/zinc/85/49/83/974854983.db2.gz MCVKITYGVYAMKI-LLVKDONJSA-N 1 1 222.332 2.370 20 30 BEEDMO CC(=O)[C@@H]1CCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172502798 974857236 /nfs/dbraw/zinc/85/72/36/974857236.db2.gz XBCZTYVRMOCVPS-WCQYABFASA-N 1 1 222.332 2.370 20 30 BEEDMO C[C@@H](CCCC#N)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001172503729 974857888 /nfs/dbraw/zinc/85/78/88/974857888.db2.gz BYLXYPKGRTWPLB-KBPBESRZSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@@H](CCCC#N)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC001172503729 974857891 /nfs/dbraw/zinc/85/78/91/974857891.db2.gz BYLXYPKGRTWPLB-KBPBESRZSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCN2CCCC[C@H]2C1 ZINC001172503729 974857893 /nfs/dbraw/zinc/85/78/93/974857893.db2.gz BYLXYPKGRTWPLB-KBPBESRZSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CCCOC1 ZINC001172506526 974858887 /nfs/dbraw/zinc/85/88/87/974858887.db2.gz VOPACHSFHFHNTD-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCCCC12COC2 ZINC001172506852 974860392 /nfs/dbraw/zinc/86/03/92/974860392.db2.gz KWHBWTRVQVQOTO-GFCCVEGCSA-N 1 1 222.332 2.324 20 30 BEEDMO C[C@H](CCCC#N)[NH+]1CC(Oc2cccnc2)C1 ZINC001172507118 974861431 /nfs/dbraw/zinc/86/14/31/974861431.db2.gz PHQCICWOVMRERC-GFCCVEGCSA-N 1 1 245.326 2.227 20 30 BEEDMO C[C@H](CCCC#N)[NH+]1CCN(C(C)(C)C)CC1 ZINC001172507462 974863643 /nfs/dbraw/zinc/86/36/43/974863643.db2.gz VADNOPMUVNPZQW-CYBMUJFWSA-N 1 1 237.391 2.485 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H](OC)C2)C1 ZINC001172937592 974991630 /nfs/dbraw/zinc/99/16/30/974991630.db2.gz AWFVNBSMWRGOOK-RDBSUJKOSA-N 1 1 221.344 2.289 20 30 BEEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(O)c1F ZINC001332279186 975038946 /nfs/dbraw/zinc/03/89/46/975038946.db2.gz VBQHBNOGTUHPPS-ZJUUUORDSA-N 1 1 239.290 2.383 20 30 BEEDMO CC[N@H+](CCC#N)[C@@H]1CCc2ncsc2C1 ZINC001173139255 975041756 /nfs/dbraw/zinc/04/17/56/975041756.db2.gz WTFAIGVWZCFKMD-SNVBAGLBSA-N 1 1 235.356 2.236 20 30 BEEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2ncsc2C1 ZINC001173139255 975041761 /nfs/dbraw/zinc/04/17/61/975041761.db2.gz WTFAIGVWZCFKMD-SNVBAGLBSA-N 1 1 235.356 2.236 20 30 BEEDMO C=CC[N@H+](C)[C@H]1COc2cccc(OC)c2C1 ZINC001173160132 975049987 /nfs/dbraw/zinc/04/99/87/975049987.db2.gz HUIWOKKNJKOGHI-LLVKDONJSA-N 1 1 233.311 2.117 20 30 BEEDMO CC[N@H+]1CC[C@H](Oc2cc(OC)ccc2C#N)C1 ZINC001226792185 975087447 /nfs/dbraw/zinc/08/74/47/975087447.db2.gz YQUQWZUKBKMIJZ-ZDUSSCGKSA-N 1 1 246.310 2.040 20 30 BEEDMO C=CC[C@@H]([NH2+][C@H]1CC[C@@H](CC)C1)C(=O)OC ZINC001173274887 975157902 /nfs/dbraw/zinc/15/79/02/975157902.db2.gz QQPIPBCTMRLLOT-GRYCIOLGSA-N 1 1 225.332 2.272 20 30 BEEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001095084558 975164093 /nfs/dbraw/zinc/16/40/93/975164093.db2.gz UPTSPOGQJPCXCL-RDBSUJKOSA-N 1 1 248.370 2.084 20 30 BEEDMO N#CCC1CCC([NH2+][C@H]2CC2(F)F)CC1 ZINC001173323934 975271276 /nfs/dbraw/zinc/27/12/76/975271276.db2.gz DVFVRJYJPBSPEK-RTBKNWGFSA-N 1 1 214.259 2.456 20 30 BEEDMO CN(C)CCC[NH2+]C1CCC(CC#N)CC1 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ZINC001096693675 986476562 /nfs/dbraw/zinc/47/65/62/986476562.db2.gz GOGRBXFBVFEUNR-UPJWGTAASA-N 1 1 236.359 2.084 20 30 BEEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCC1)C2 ZINC001096947623 986524423 /nfs/dbraw/zinc/52/44/23/986524423.db2.gz CCDNYNKSFKLNES-MCIONIFRSA-N 1 1 246.354 2.004 20 30 BEEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001097119101 986540371 /nfs/dbraw/zinc/54/03/71/986540371.db2.gz RQTMYBXAPJLUIT-UPJWGTAASA-N 1 1 248.370 2.084 20 30 BEEDMO CCC[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC001139224313 986569149 /nfs/dbraw/zinc/56/91/49/986569149.db2.gz AXPMNGVACQTCFV-UHFFFAOYSA-N 1 1 244.298 2.348 20 30 BEEDMO CCC[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC001139224313 986569170 /nfs/dbraw/zinc/56/91/70/986569170.db2.gz AXPMNGVACQTCFV-UHFFFAOYSA-N 1 1 244.298 2.348 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001254670735 986720376 /nfs/dbraw/zinc/72/03/76/986720376.db2.gz LYYLRPKXBYIOIW-RGDJUOJXSA-N 1 1 229.327 2.445 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001254674170 986720606 /nfs/dbraw/zinc/72/06/06/986720606.db2.gz VALCCIPWEOHBSW-YPMHNXCESA-N 1 1 242.322 2.443 20 30 BEEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3ccncc3C2)C1 ZINC001254669005 986720957 /nfs/dbraw/zinc/72/09/57/986720957.db2.gz MRNQIZVNCRQMAW-FZMZJTMJSA-N 1 1 227.311 2.132 20 30 BEEDMO CC(C)[N@H+]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001254674864 986723652 /nfs/dbraw/zinc/72/36/52/986723652.db2.gz ABQFZNKKCQCWAG-BFHYXJOUSA-N 1 1 235.375 2.093 20 30 BEEDMO CC(C)N1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001254674864 986723662 /nfs/dbraw/zinc/72/36/62/986723662.db2.gz ABQFZNKKCQCWAG-BFHYXJOUSA-N 1 1 235.375 2.093 20 30 BEEDMO CC(C)N1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001254674864 986723671 /nfs/dbraw/zinc/72/36/71/986723671.db2.gz ABQFZNKKCQCWAG-BFHYXJOUSA-N 1 1 235.375 2.093 20 30 BEEDMO CC[C@H](CC#N)[NH2+][C@@H]1c2ccccc2CC[C@@H]1O ZINC001255154295 986824934 /nfs/dbraw/zinc/82/49/34/986824934.db2.gz GMHCWJFTEGDKNT-VHDGCEQUSA-N 1 1 244.338 2.317 20 30 BEEDMO CC[C@H](CC#N)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC001255154296 986825794 /nfs/dbraw/zinc/82/57/94/986825794.db2.gz GMHCWJFTEGDKNT-YUELXQCFSA-N 1 1 244.338 2.317 20 30 BEEDMO CCCC[N@@H+](CC)CCN[C@@H](CC)CC#N ZINC001255153210 986826643 /nfs/dbraw/zinc/82/66/43/986826643.db2.gz RBKVGBMUIGRVPG-ZDUSSCGKSA-N 1 1 225.380 2.390 20 30 BEEDMO CC[C@@H](CC#N)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255160483 986832707 /nfs/dbraw/zinc/83/27/07/986832707.db2.gz KQZQWMKVSVIAEP-KBPBESRZSA-N 1 1 235.375 2.143 20 30 BEEDMO CC[C@H](CC#N)[NH2+][C@H](CO)c1cccc(C)c1 ZINC001255162204 986834605 /nfs/dbraw/zinc/83/46/05/986834605.db2.gz JYPOKJHGQCXIOE-ZIAGYGMSSA-N 1 1 232.327 2.310 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)C(C)C ZINC001467727896 986867794 /nfs/dbraw/zinc/86/77/94/986867794.db2.gz VKDFDFRUCHUXJD-ZDUSSCGKSA-N 1 1 240.391 2.245 20 30 BEEDMO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000827649061 986914202 /nfs/dbraw/zinc/91/42/02/986914202.db2.gz HDUUDUVDPAWHAA-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO COc1cccc(O)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000827649061 986914210 /nfs/dbraw/zinc/91/42/10/986914210.db2.gz HDUUDUVDPAWHAA-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO C[N@H+]1CC[C@H](N(CCC#N)Cc2ccccc2)C1 ZINC001255432300 986949875 /nfs/dbraw/zinc/94/98/75/986949875.db2.gz PMIALWSQVAAFFG-HNNXBMFYSA-N 1 1 243.354 2.106 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC)[C@H](C)C1 ZINC001101734723 987197100 /nfs/dbraw/zinc/19/71/00/987197100.db2.gz SYWROFJEYSHJNL-CHWSQXEVSA-N 1 1 238.375 2.047 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC)[C@H](C)C1 ZINC001101663834 987198885 /nfs/dbraw/zinc/19/88/85/987198885.db2.gz YKIJFLQZZMIKDM-CHWSQXEVSA-N 1 1 238.375 2.047 20 30 BEEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001102297732 987208756 /nfs/dbraw/zinc/20/87/56/987208756.db2.gz ABOQLEYJGASYDD-CHWSQXEVSA-N 1 1 238.375 2.047 20 30 BEEDMO C[C@H](Cc1ccccn1)[N@@H+]1CCC[C@H](C#N)C1 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987284087 /nfs/dbraw/zinc/28/40/87/987284087.db2.gz LXADIRVXQTXCEF-KBPBESRZSA-N 1 1 244.423 2.425 20 30 BEEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001472934129 987304804 /nfs/dbraw/zinc/30/48/04/987304804.db2.gz VUPHFGIYHIIXPN-CQSZACIVSA-N 1 1 248.370 2.063 20 30 BEEDMO CCCCCCC[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC001246093250 987402690 /nfs/dbraw/zinc/40/26/90/987402690.db2.gz MSORXMNYTGCVIR-KGLIPLIRSA-N 1 1 242.407 2.313 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CCCC[C@H]1C ZINC001473539455 987471957 /nfs/dbraw/zinc/47/19/57/987471957.db2.gz IGVOKKIQIYCASH-MGPQQGTHSA-N 1 1 221.344 2.147 20 30 BEEDMO C#CC[N@H+](CC1CC(C)(C)C1)C1CSC1 ZINC001473629185 987506421 /nfs/dbraw/zinc/50/64/21/987506421.db2.gz BWNPYDXJAQAYAB-UHFFFAOYSA-N 1 1 223.385 2.473 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001116396683 987550855 /nfs/dbraw/zinc/55/08/55/987550855.db2.gz LITNZHVIBQBKHN-LBPRGKRZSA-N 1 1 235.302 2.468 20 30 BEEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC2(CC#N)CC2)C1 ZINC001473795873 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C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000602629309 349665301 /nfs/dbraw/zinc/66/53/01/349665301.db2.gz MKPXLRNGBKKWFZ-XQHKEYJVSA-N 1 1 224.348 2.424 20 30 BEEDMO C=CC[N@@H+](CCC#N)C[C@@H](C)CCC#N ZINC000602672527 349666610 /nfs/dbraw/zinc/66/66/10/349666610.db2.gz PSVREXXJDGJEAI-LBPRGKRZSA-N 1 1 205.305 2.328 20 30 BEEDMO C=CC[N@H+](CCC#N)C[C@@H](C)CCC#N ZINC000602672527 349666611 /nfs/dbraw/zinc/66/66/11/349666611.db2.gz PSVREXXJDGJEAI-LBPRGKRZSA-N 1 1 205.305 2.328 20 30 BEEDMO CC[C@@H]1CN(CC)CC[N@H+]1C[C@H](C)CCC#N ZINC000602681819 349674597 /nfs/dbraw/zinc/67/45/97/349674597.db2.gz LVCMYQDMQKVSNR-ZIAGYGMSSA-N 1 1 237.391 2.342 20 30 BEEDMO C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000602684586 349676499 /nfs/dbraw/zinc/67/64/99/349676499.db2.gz ZXIHFQHHQKKMSC-RLAWYHOSSA-N 1 1 235.375 2.141 20 30 BEEDMO CO[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C[C@@H]1C ZINC000602685459 349677060 /nfs/dbraw/zinc/67/70/60/349677060.db2.gz PPRMDRPVLGSFSO-FRRDWIJNSA-N 1 1 224.348 2.283 20 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238.375 2.409 20 30 BEEDMO N#CC[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1 ZINC000602708608 349701860 /nfs/dbraw/zinc/70/18/60/349701860.db2.gz RAIUBMOUGBAHOF-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc(F)c2N)CCC1 ZINC000602700337 349696308 /nfs/dbraw/zinc/69/63/08/349696308.db2.gz VOMSKXKWUJQTTF-UHFFFAOYSA-N 1 1 233.290 2.191 20 30 BEEDMO CC[C@](C)(C[N@H+]1CC[C@](C)(C#N)C1)OC ZINC000602717475 349708407 /nfs/dbraw/zinc/70/84/07/349708407.db2.gz GLKCRVHARJVYMD-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000602716187 349706971 /nfs/dbraw/zinc/70/69/71/349706971.db2.gz AIUAXIVPDDJWQR-NWDGAFQWSA-N 1 1 205.305 2.162 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000602716188 349707251 /nfs/dbraw/zinc/70/72/51/349707251.db2.gz AIUAXIVPDDJWQR-RYUDHWBXSA-N 1 1 205.305 2.162 20 30 BEEDMO CC[C@H](C)[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602716781 349707474 /nfs/dbraw/zinc/70/74/74/349707474.db2.gz DIDWWASJHJDSHG-AVGNSLFASA-N 1 1 224.348 2.283 20 30 BEEDMO C=C(C)C[C@H]([NH2+][C@H](C)C1CCC1)C(=O)OC ZINC000602734430 349719918 /nfs/dbraw/zinc/71/99/18/349719918.db2.gz ODSBANFLTLVFAB-PWSUYJOCSA-N 1 1 225.332 2.272 20 30 BEEDMO C=C(C)C[C@H]([NH2+]C[C@@H](C)CC)C(=O)OC ZINC000602735392 349720873 /nfs/dbraw/zinc/72/08/73/349720873.db2.gz WMAFWEYLCOSKTF-QWRGUYRKSA-N 1 1 213.321 2.130 20 30 BEEDMO C=C(C)C[C@@H]([NH2+]C[C@H](C)CC)C(=O)OC ZINC000602735390 349720924 /nfs/dbraw/zinc/72/09/24/349720924.db2.gz WMAFWEYLCOSKTF-GHMZBOCLSA-N 1 1 213.321 2.130 20 30 BEEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCCC#N ZINC000306796189 259337626 /nfs/dbraw/zinc/33/76/26/259337626.db2.gz VVEGGXIQTVIAGL-CYBMUJFWSA-N 1 1 231.343 2.010 20 30 BEEDMO C[C@H](CN(C)Cc1ccccc1)[NH2+]CCC#N ZINC000306796189 259337628 /nfs/dbraw/zinc/33/76/28/259337628.db2.gz VVEGGXIQTVIAGL-CYBMUJFWSA-N 1 1 231.343 2.010 20 30 BEEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC(C)(C)CO1 ZINC000602770390 349725041 /nfs/dbraw/zinc/72/50/41/349725041.db2.gz RQKSPMSLWIQJAH-VXGBXAGGSA-N 1 1 224.348 2.283 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC(C)(C)CO1 ZINC000602770390 349725043 /nfs/dbraw/zinc/72/50/43/349725043.db2.gz RQKSPMSLWIQJAH-VXGBXAGGSA-N 1 1 224.348 2.283 20 30 BEEDMO C=C(C)C[C@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000602732757 349718095 /nfs/dbraw/zinc/71/80/95/349718095.db2.gz DJIIASMWIURDQO-STQMWFEESA-N 1 1 237.343 2.440 20 30 BEEDMO C=CCC[C@H](C)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC000602733604 349719104 /nfs/dbraw/zinc/71/91/04/349719104.db2.gz JOVOCVHHYUQINR-RYUDHWBXSA-N 1 1 225.332 2.439 20 30 BEEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000602803105 349742911 /nfs/dbraw/zinc/74/29/11/349742911.db2.gz ZYFFKNOSVJBUQZ-YPMHNXCESA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000602803105 349742913 /nfs/dbraw/zinc/74/29/13/349742913.db2.gz ZYFFKNOSVJBUQZ-YPMHNXCESA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@@H]1C[C@H]([N@@H+](C)CC2(CC#N)CC2)CCN1C ZINC000602778545 349744630 /nfs/dbraw/zinc/74/46/30/349744630.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 1 1 235.375 2.095 20 30 BEEDMO C[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@@H+]1C ZINC000602778545 349744632 /nfs/dbraw/zinc/74/46/32/349744632.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 1 1 235.375 2.095 20 30 BEEDMO C[C@@H]1C[C@H](N(C)CC2(CC#N)CC2)CC[N@H+]1C ZINC000602778545 349744634 /nfs/dbraw/zinc/74/46/34/349744634.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 1 1 235.375 2.095 20 30 BEEDMO C[C@@H]1OCC[C@H]1C[N@@H+](CCC#N)CC1CC1 ZINC000602780486 349746071 /nfs/dbraw/zinc/74/60/71/349746071.db2.gz VCTNBAZOHHKLPA-AAEUAGOBSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@H]1OCC[C@H]1C[N@H+](CC#N)C1CCCC1 ZINC000602780811 349747166 /nfs/dbraw/zinc/74/71/66/349747166.db2.gz SEEKAUQBCCJHJD-NEPJUHHUSA-N 1 1 222.332 2.180 20 30 BEEDMO C[C@H]1OCC[C@H]1C[N@@H+](CC#N)C1CCCC1 ZINC000602780811 349747170 /nfs/dbraw/zinc/74/71/70/349747170.db2.gz SEEKAUQBCCJHJD-NEPJUHHUSA-N 1 1 222.332 2.180 20 30 BEEDMO C=CC[N@@H+](CCN(C#N)CC)Cc1ccccc1 ZINC000602758917 349732566 /nfs/dbraw/zinc/73/25/66/349732566.db2.gz JQUUTCPUSJTJKX-UHFFFAOYSA-N 1 1 243.354 2.478 20 30 BEEDMO C=CC[N@H+](CCN(C#N)CC)Cc1ccccc1 ZINC000602758917 349732570 /nfs/dbraw/zinc/73/25/70/349732570.db2.gz JQUUTCPUSJTJKX-UHFFFAOYSA-N 1 1 243.354 2.478 20 30 BEEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](C2CC2)O1 ZINC000602823023 349763301 /nfs/dbraw/zinc/76/33/01/349763301.db2.gz UFYRPJFIYIIHCE-DGCLKSJQSA-N 1 1 234.343 2.180 20 30 BEEDMO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000602824880 349764544 /nfs/dbraw/zinc/76/45/44/349764544.db2.gz DHNYDSCGLYEDJM-OLZOCXBDSA-N 1 1 234.343 2.324 20 30 BEEDMO CCOC[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602780538 349747546 /nfs/dbraw/zinc/74/75/46/349747546.db2.gz VSYSBMXKOVPKLI-GFCCVEGCSA-N 1 1 222.332 2.039 20 30 BEEDMO C[N@H+](C[C@H]1CC(C)(C)CO1)CC(C)(C)C#N ZINC000602831564 349767447 /nfs/dbraw/zinc/76/74/47/349767447.db2.gz JHTLBOGKEJWPSB-LLVKDONJSA-N 1 1 224.348 2.283 20 30 BEEDMO C[N@@H+](C[C@H]1CC(C)(C)CO1)CC(C)(C)C#N ZINC000602831564 349767451 /nfs/dbraw/zinc/76/74/51/349767451.db2.gz JHTLBOGKEJWPSB-LLVKDONJSA-N 1 1 224.348 2.283 20 30 BEEDMO CC[C@@]1(CO)CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602813736 349756549 /nfs/dbraw/zinc/75/65/49/349756549.db2.gz YHSOJFZNSLKKMM-CYBMUJFWSA-N 1 1 236.359 2.165 20 30 BEEDMO COC[C@H]1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602838497 349777503 /nfs/dbraw/zinc/77/75/03/349777503.db2.gz SZGSKXRYIHWJJL-ZDUSSCGKSA-N 1 1 236.359 2.429 20 30 BEEDMO CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000354931911 349780170 /nfs/dbraw/zinc/78/01/70/349780170.db2.gz PTGDFRFOAKGBQG-LLVKDONJSA-N 1 1 240.347 2.248 20 30 BEEDMO N#CCC1(C[N@@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000602843389 349781201 /nfs/dbraw/zinc/78/12/01/349781201.db2.gz VDESXTSGRSBEGM-UHFFFAOYSA-N 1 1 234.343 2.060 20 30 BEEDMO C=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682266 136264391 /nfs/dbraw/zinc/26/43/91/136264391.db2.gz OXHBCGQGMJKUHF-UWVGGRQHSA-N 1 1 237.265 2.055 20 30 BEEDMO CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000602882331 349791785 /nfs/dbraw/zinc/79/17/85/349791785.db2.gz CSFPLDKNRFUBSO-STQMWFEESA-N 1 1 236.359 2.427 20 30 BEEDMO CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000602882328 349791858 /nfs/dbraw/zinc/79/18/58/349791858.db2.gz CSFPLDKNRFUBSO-CHWSQXEVSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC2(CCC2)O1 ZINC000602849069 349785023 /nfs/dbraw/zinc/78/50/23/349785023.db2.gz HFTIOINCSUNQDH-GFCCVEGCSA-N 1 1 234.343 2.324 20 30 BEEDMO C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H](C)N1CC#N ZINC000602851902 349786609 /nfs/dbraw/zinc/78/66/09/349786609.db2.gz YCIZTKPFGCWTCV-OKILXGFUSA-N 1 1 249.402 2.485 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000050276925 343117994 /nfs/dbraw/zinc/11/79/94/343117994.db2.gz XIQSBTFVTRAUEO-UHFFFAOYSA-N 1 1 232.327 2.054 20 30 BEEDMO C=C1CC[NH+](Cc2cccc(OC)n2)CC1 ZINC000264829441 187235080 /nfs/dbraw/zinc/23/50/80/187235080.db2.gz QGFNYYIFNHYVCC-UHFFFAOYSA-N 1 1 218.300 2.242 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000305069017 136269690 /nfs/dbraw/zinc/26/96/90/136269690.db2.gz ISXWPUGLBVPXAZ-XQQFMLRXSA-N 1 1 211.349 2.291 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1c1ccccc1 ZINC000362182569 136268779 /nfs/dbraw/zinc/26/87/79/136268779.db2.gz MUWXOFPAMWPNSH-OCCSQVGLSA-N 1 1 244.338 2.124 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362182569 136268780 /nfs/dbraw/zinc/26/87/80/136268780.db2.gz MUWXOFPAMWPNSH-OCCSQVGLSA-N 1 1 244.338 2.124 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC000266946272 187235762 /nfs/dbraw/zinc/23/57/62/187235762.db2.gz SISUBYOHFCCAIT-UHFFFAOYSA-N 1 1 249.285 2.147 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC000266946272 187235763 /nfs/dbraw/zinc/23/57/63/187235763.db2.gz SISUBYOHFCCAIT-UHFFFAOYSA-N 1 1 249.285 2.147 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cn2c(cccc2C)n1 ZINC000267280981 187235996 /nfs/dbraw/zinc/23/59/96/187235996.db2.gz HSMHCQYHTHEUJQ-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO C#CC[N@H+](CC)Cc1cn2c(cccc2C)n1 ZINC000267280981 187235997 /nfs/dbraw/zinc/23/59/97/187235997.db2.gz HSMHCQYHTHEUJQ-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO C=C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000271174912 187236258 /nfs/dbraw/zinc/23/62/58/187236258.db2.gz SYGHHJOUIMYRHG-UHFFFAOYSA-N 1 1 202.257 2.303 20 30 BEEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000270623473 187236261 /nfs/dbraw/zinc/23/62/61/187236261.db2.gz PHUKNEBCWYOYJX-HIFRSBDPSA-N 1 1 229.323 2.472 20 30 BEEDMO C#CCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000270623473 187236262 /nfs/dbraw/zinc/23/62/62/187236262.db2.gz PHUKNEBCWYOYJX-HIFRSBDPSA-N 1 1 229.323 2.472 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000271773919 187236321 /nfs/dbraw/zinc/23/63/21/187236321.db2.gz ANUMKIKGBWCTEM-UHFFFAOYSA-N 1 1 231.339 2.283 20 30 BEEDMO C[C@@H]([N@@H+](C)CCOCCC#N)C1(C)CC1 ZINC000339017905 136271095 /nfs/dbraw/zinc/27/10/95/136271095.db2.gz SMPAWYRISPVZRF-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO N#CCCOCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000339005439 136271301 /nfs/dbraw/zinc/27/13/01/136271301.db2.gz QUKIDSIJSPCLKB-STQMWFEESA-N 1 1 222.332 2.181 20 30 BEEDMO N#CCCOCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000339005433 136271304 /nfs/dbraw/zinc/27/13/04/136271304.db2.gz QUKIDSIJSPCLKB-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO N#CCCOCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000339014440 136271325 /nfs/dbraw/zinc/27/13/25/136271325.db2.gz SSHMBXMJDHGKRL-BETUJISGSA-N 1 1 222.332 2.039 20 30 BEEDMO C[N@H+](CCCC(C)(C)C#N)Cc1ccon1 ZINC000266955041 136281777 /nfs/dbraw/zinc/28/17/77/136281777.db2.gz VTZDIJXJBBMBHF-UHFFFAOYSA-N 1 1 221.304 2.436 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccon1 ZINC000266955041 136281778 /nfs/dbraw/zinc/28/17/78/136281778.db2.gz VTZDIJXJBBMBHF-UHFFFAOYSA-N 1 1 221.304 2.436 20 30 BEEDMO CC(C)[N@H+]1CCCN(CCC(C)(C)C#N)CC1 ZINC000336713673 136278315 /nfs/dbraw/zinc/27/83/15/136278315.db2.gz QBJAYTUXNMMYFL-UHFFFAOYSA-N 1 1 237.391 2.342 20 30 BEEDMO N#CCCOCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000339014119 136280199 /nfs/dbraw/zinc/28/01/99/136280199.db2.gz KJSPZBIJUOLRRU-OAHLLOKOSA-N 1 1 244.338 2.234 20 30 BEEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOCCC#N ZINC000292668485 136289206 /nfs/dbraw/zinc/28/92/06/136289206.db2.gz AXHOSOQLKOHNDF-GFCCVEGCSA-N 1 1 248.326 2.315 20 30 BEEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(C#N)cc1 ZINC000343656092 343262524 /nfs/dbraw/zinc/26/25/24/343262524.db2.gz XTWKDXYXHMRQOD-NSHDSACASA-N 1 1 241.294 2.429 20 30 BEEDMO C[C@@H](CCC#N)[NH+]1CCN(Cc2ccco2)CC1 ZINC000297882314 136291274 /nfs/dbraw/zinc/29/12/74/136291274.db2.gz NLSFHBSQVNBHBO-ZDUSSCGKSA-N 1 1 247.342 2.089 20 30 BEEDMO C=C(Br)C[N@@H+](C)[C@@H]1CCSC1 ZINC000119992030 136292426 /nfs/dbraw/zinc/29/24/26/136292426.db2.gz SJLIEEDHIFYXPO-MRVPVSSYSA-N 1 1 236.178 2.332 20 30 BEEDMO C=C(Br)C[N@H+](C)[C@@H]1CCSC1 ZINC000119992030 136292427 /nfs/dbraw/zinc/29/24/27/136292427.db2.gz SJLIEEDHIFYXPO-MRVPVSSYSA-N 1 1 236.178 2.332 20 30 BEEDMO CN1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000602873514 349804194 /nfs/dbraw/zinc/80/41/94/349804194.db2.gz JZWTZRMBKMPKJG-MCIONIFRSA-N 1 1 249.402 2.341 20 30 BEEDMO CCC[N@H+]1CCC[C@@H]1CNc1cccc(C#N)n1 ZINC000343992553 343319837 /nfs/dbraw/zinc/31/98/37/343319837.db2.gz YMGNUXOKJDDSAV-CYBMUJFWSA-N 1 1 244.342 2.240 20 30 BEEDMO C[N@@H+]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000602873514 349804196 /nfs/dbraw/zinc/80/41/96/349804196.db2.gz JZWTZRMBKMPKJG-MCIONIFRSA-N 1 1 249.402 2.341 20 30 BEEDMO CC[N@@H+]1[C@H](C)CN([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872935 349804361 /nfs/dbraw/zinc/80/43/61/349804361.db2.gz DRHVNKXUIJJJMU-CRWXNKLISA-N 1 1 235.375 2.093 20 30 BEEDMO CCN1[C@H](C)C[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872935 349804363 /nfs/dbraw/zinc/80/43/63/349804363.db2.gz DRHVNKXUIJJJMU-CRWXNKLISA-N 1 1 235.375 2.093 20 30 BEEDMO CCN1[C@H](C)C[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872935 349804367 /nfs/dbraw/zinc/80/43/67/349804367.db2.gz DRHVNKXUIJJJMU-CRWXNKLISA-N 1 1 235.375 2.093 20 30 BEEDMO C=CCOCCC[N@H+]1CCn2cccc2[C@H]1C ZINC000347961153 136293480 /nfs/dbraw/zinc/29/34/80/136293480.db2.gz HCVZGZBRSPUVSE-CYBMUJFWSA-N 1 1 234.343 2.457 20 30 BEEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@@H](C)O)c1 ZINC000348715723 136294727 /nfs/dbraw/zinc/29/47/27/136294727.db2.gz QIJBQXHCIKJYDB-CYBMUJFWSA-N 1 1 249.354 2.454 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C)C1 ZINC000165429795 343309826 /nfs/dbraw/zinc/30/98/26/343309826.db2.gz UKHKLHXOSZESHW-GFCCVEGCSA-N 1 1 230.311 2.087 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C)C1 ZINC000165429795 343309828 /nfs/dbraw/zinc/30/98/28/343309828.db2.gz UKHKLHXOSZESHW-GFCCVEGCSA-N 1 1 230.311 2.087 20 30 BEEDMO N#CCCCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000609133301 343314138 /nfs/dbraw/zinc/31/41/38/343314138.db2.gz IAQJCBBKJCLYNL-UHFFFAOYSA-N 1 1 244.338 2.487 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCC(C)(C)C ZINC000625377246 343362278 /nfs/dbraw/zinc/36/22/78/343362278.db2.gz CYLGUANSBPVVPZ-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(C)(C)C ZINC000625377246 343362280 /nfs/dbraw/zinc/36/22/80/343362280.db2.gz CYLGUANSBPVVPZ-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO CC[N@@H+]1[C@H](C)CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872936 349804920 /nfs/dbraw/zinc/80/49/20/349804920.db2.gz DRHVNKXUIJJJMU-RFQIPJPRSA-N 1 1 235.375 2.093 20 30 BEEDMO CCN1[C@H](C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872936 349804923 /nfs/dbraw/zinc/80/49/23/349804923.db2.gz DRHVNKXUIJJJMU-RFQIPJPRSA-N 1 1 235.375 2.093 20 30 BEEDMO CCN1[C@H](C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872936 349804926 /nfs/dbraw/zinc/80/49/26/349804926.db2.gz DRHVNKXUIJJJMU-RFQIPJPRSA-N 1 1 235.375 2.093 20 30 BEEDMO C[C@@H](CCC#N)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602874934 349805541 /nfs/dbraw/zinc/80/55/41/349805541.db2.gz VYSGFQAZVCDCAH-QWHCGFSZSA-N 1 1 237.391 2.341 20 30 BEEDMO Cc1ncccc1C[NH2+]CC(C)(C)C#N ZINC000134976476 343343160 /nfs/dbraw/zinc/34/31/60/343343160.db2.gz FBRYDYNFOAPVOJ-UHFFFAOYSA-N 1 1 203.289 2.029 20 30 BEEDMO C[C@@H](CCC#N)[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602874934 349805546 /nfs/dbraw/zinc/80/55/46/349805546.db2.gz VYSGFQAZVCDCAH-QWHCGFSZSA-N 1 1 237.391 2.341 20 30 BEEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000165442278 343349416 /nfs/dbraw/zinc/34/94/16/343349416.db2.gz ZALKVJSEDUTPEA-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCO1 ZINC000165442278 343349417 /nfs/dbraw/zinc/34/94/17/343349417.db2.gz ZALKVJSEDUTPEA-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1C ZINC000165441578 343349612 /nfs/dbraw/zinc/34/96/12/343349612.db2.gz NMAVDQHNSRBOPJ-LBPRGKRZSA-N 1 1 230.311 2.087 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1C ZINC000165441578 343349614 /nfs/dbraw/zinc/34/96/14/343349614.db2.gz NMAVDQHNSRBOPJ-LBPRGKRZSA-N 1 1 230.311 2.087 20 30 BEEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCC[C@H]1O ZINC000335840910 344032229 /nfs/dbraw/zinc/03/22/29/344032229.db2.gz VLJULNDEQFRGHK-CHWSQXEVSA-N 1 1 248.301 2.043 20 30 BEEDMO C#CC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000192230628 259358878 /nfs/dbraw/zinc/35/88/78/259358878.db2.gz XCLZGNWIQDRICJ-UHFFFAOYSA-N 1 1 217.699 2.257 20 30 BEEDMO C#CC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000192230628 259358881 /nfs/dbraw/zinc/35/88/81/259358881.db2.gz XCLZGNWIQDRICJ-UHFFFAOYSA-N 1 1 217.699 2.257 20 30 BEEDMO N#CCCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348915767 136307865 /nfs/dbraw/zinc/30/78/65/136307865.db2.gz CRZMNSQBXNTJRS-ZDUSSCGKSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CCCCN1CCN(C)c2[nH+]cccc21 ZINC000348945657 136309840 /nfs/dbraw/zinc/30/98/40/136309840.db2.gz CEMMHZRGSLKBDL-UHFFFAOYSA-N 1 1 217.316 2.304 20 30 BEEDMO C#CCC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000299209788 343398548 /nfs/dbraw/zinc/39/85/48/343398548.db2.gz BMYTWAHVURCZNB-CYBMUJFWSA-N 1 1 245.322 2.172 20 30 BEEDMO C=CCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081578563 343419767 /nfs/dbraw/zinc/41/97/67/343419767.db2.gz SBIXKHITIOZHFX-SNVBAGLBSA-N 1 1 213.321 2.225 20 30 BEEDMO C=CCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081578563 343419769 /nfs/dbraw/zinc/41/97/69/343419769.db2.gz SBIXKHITIOZHFX-SNVBAGLBSA-N 1 1 213.321 2.225 20 30 BEEDMO CC(C)Cn1cc(C[NH2+][C@H]2CCC[C@H]2C#N)cn1 ZINC000350461596 136360733 /nfs/dbraw/zinc/36/07/33/136360733.db2.gz NOPRNTNIUKPXNK-KBPBESRZSA-N 1 1 246.358 2.321 20 30 BEEDMO C=CCN1CC[N@H+](C)CC12CCCCC2 ZINC000335856365 344033694 /nfs/dbraw/zinc/03/36/94/344033694.db2.gz YKNUPSYQEJZKLS-UHFFFAOYSA-N 1 1 208.349 2.123 20 30 BEEDMO C#C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)C(C)C ZINC000491305356 259364368 /nfs/dbraw/zinc/36/43/68/259364368.db2.gz IQEAEFAAQVSILS-LBPRGKRZSA-N 1 1 227.311 2.310 20 30 BEEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602901011 349816365 /nfs/dbraw/zinc/81/63/65/349816365.db2.gz VEPFDCGAEGTVSF-GFCCVEGCSA-N 1 1 230.315 2.307 20 30 BEEDMO N#CCCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602901013 349816390 /nfs/dbraw/zinc/81/63/90/349816390.db2.gz VEPFDCGAEGTVSF-LBPRGKRZSA-N 1 1 230.315 2.307 20 30 BEEDMO CC1(C)CO[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000602903839 349817774 /nfs/dbraw/zinc/81/77/74/349817774.db2.gz TULHFZLLQTVDCA-YPMHNXCESA-N 1 1 222.332 2.037 20 30 BEEDMO CC1(C)CO[C@@H](C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000602903839 349817776 /nfs/dbraw/zinc/81/77/76/349817776.db2.gz TULHFZLLQTVDCA-YPMHNXCESA-N 1 1 222.332 2.037 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@H](O)CC(F)(F)F ZINC000188670535 349819038 /nfs/dbraw/zinc/81/90/38/349819038.db2.gz BCNZGYSTXJAQDE-SECBINFHSA-N 1 1 225.254 2.198 20 30 BEEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCOC1 ZINC000310996660 343619265 /nfs/dbraw/zinc/61/92/65/343619265.db2.gz HPWYSCIWLBQXPV-CQSZACIVSA-N 1 1 248.301 2.308 20 30 BEEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCOC1 ZINC000310996660 343619268 /nfs/dbraw/zinc/61/92/68/343619268.db2.gz HPWYSCIWLBQXPV-CQSZACIVSA-N 1 1 248.301 2.308 20 30 BEEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC[C@@H]1CO ZINC000335878070 344035340 /nfs/dbraw/zinc/03/53/40/344035340.db2.gz PDUWODSAHYPPQP-GFCCVEGCSA-N 1 1 248.301 2.044 20 30 BEEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000335878070 344035342 /nfs/dbraw/zinc/03/53/42/344035342.db2.gz PDUWODSAHYPPQP-GFCCVEGCSA-N 1 1 248.301 2.044 20 30 BEEDMO C[N@@H+](C[C@H](O)C(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602981837 349832320 /nfs/dbraw/zinc/83/23/20/349832320.db2.gz KEPUWFUFINGEFM-UTUOFQBUSA-N 1 1 224.348 2.017 20 30 BEEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000087595166 343654729 /nfs/dbraw/zinc/65/47/29/343654729.db2.gz IAAGZZSSQUZMAH-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000087595270 343654806 /nfs/dbraw/zinc/65/48/06/343654806.db2.gz QHPWDJVMLCHINS-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCC#N ZINC000577055202 365796481 /nfs/dbraw/zinc/79/64/81/365796481.db2.gz LSCNMTMGCCDCKM-ZWNOBZJWSA-N 1 1 200.285 2.423 20 30 BEEDMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981505 349831679 /nfs/dbraw/zinc/83/16/79/349831679.db2.gz FGAYYYJDHVWDDH-LOWDOPEQSA-N 1 1 222.332 2.035 20 30 BEEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCC[C@@H]1C#N ZINC000602977365 349842255 /nfs/dbraw/zinc/84/22/55/349842255.db2.gz AHOVNYKCXIIIPQ-VXGBXAGGSA-N 1 1 237.372 2.257 20 30 BEEDMO CCSCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978838 349843172 /nfs/dbraw/zinc/84/31/72/349843172.db2.gz XIOLPJZIELNXML-MNOVXSKESA-N 1 1 212.362 2.364 20 30 BEEDMO CC[C@@]1(O)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000602983949 349836024 /nfs/dbraw/zinc/83/60/24/349836024.db2.gz XZNXVHGMNZKHPQ-CYBMUJFWSA-N 1 1 224.348 2.163 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCCOC)cc1 ZINC000491667579 259369391 /nfs/dbraw/zinc/36/93/91/259369391.db2.gz RPOPWOZUGSHIAZ-ZDUSSCGKSA-N 1 1 247.338 2.165 20 30 BEEDMO C[N@@H+](CCCCC#N)[C@H]1CCC[C@H]1C#N ZINC000602975850 349839935 /nfs/dbraw/zinc/83/99/35/349839935.db2.gz IBDXTNUCPDMURP-RYUDHWBXSA-N 1 1 205.305 2.304 20 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Cc1nc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000259656515 370929057 /nfs/dbraw/zinc/92/90/57/370929057.db2.gz BVANVQKOEBLDHE-GFCCVEGCSA-N 1 1 233.315 2.417 20 30 BEEDMO CCCn1ccc(C[NH2+]C[C@H](C)C#N)c1 ZINC000085606352 368866829 /nfs/dbraw/zinc/86/68/29/368866829.db2.gz FKBOOPIOXCATTB-LLVKDONJSA-N 1 1 205.305 2.147 20 30 BEEDMO C#CC[N@@H+](Cc1cccnc1)C1CCCC1 ZINC000154974423 326176540 /nfs/dbraw/zinc/17/65/40/326176540.db2.gz HUGKAEBWZNMJJK-UHFFFAOYSA-N 1 1 214.312 2.459 20 30 BEEDMO C=CCCCC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458235263 203148064 /nfs/dbraw/zinc/14/80/64/203148064.db2.gz XYDQSOMQRFARBT-ZDUSSCGKSA-N 1 1 238.375 2.191 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000618887758 369235478 /nfs/dbraw/zinc/23/54/78/369235478.db2.gz HMKDYTCSAOHOIA-HZSPNIEDSA-N 1 1 237.391 2.341 20 30 BEEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000156145544 326220880 /nfs/dbraw/zinc/22/08/80/326220880.db2.gz LXKQMQQTBLUJOW-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459396442 203274463 /nfs/dbraw/zinc/27/44/63/203274463.db2.gz IRMZOSWKKFCFRJ-UHFFFAOYSA-N 1 1 233.315 2.068 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459312274 203256239 /nfs/dbraw/zinc/25/62/39/203256239.db2.gz YPUMZPVFSVNTES-UHFFFAOYSA-N 1 1 245.326 2.234 20 30 BEEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000567700117 326247783 /nfs/dbraw/zinc/24/77/83/326247783.db2.gz FRCRDLXCUJOMOD-NWDGAFQWSA-N 1 1 204.248 2.185 20 30 BEEDMO CC[N@H+]1CCC[C@@H](Nc2ccc(C)c(C#N)n2)C1 ZINC000302669682 369396115 /nfs/dbraw/zinc/39/61/15/369396115.db2.gz QYVRCCXVOXZHBA-GFCCVEGCSA-N 1 1 244.342 2.158 20 30 BEEDMO COCC1(C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000459623026 203322599 /nfs/dbraw/zinc/32/25/99/203322599.db2.gz OTBKYASPCKOZSO-UHFFFAOYSA-N 1 1 236.340 2.088 20 30 BEEDMO N#Cc1ccc(C[N@H+](CCCO)C2CC2)c(F)c1 ZINC000404213222 369422938 /nfs/dbraw/zinc/42/29/38/369422938.db2.gz AIEWPARIIHYMRA-UHFFFAOYSA-N 1 1 248.301 2.044 20 30 BEEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000361597288 369448077 /nfs/dbraw/zinc/44/80/77/369448077.db2.gz XWLZOKYCZILCQS-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCSC1 ZINC000619568698 369482956 /nfs/dbraw/zinc/48/29/56/369482956.db2.gz UZURXTVEAQAFEY-MNOVXSKESA-N 1 1 212.362 2.364 20 30 BEEDMO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619511271 369453338 /nfs/dbraw/zinc/45/33/38/369453338.db2.gz XZFMNKHVNGGNAZ-KBPBESRZSA-N 1 1 238.375 2.409 20 30 BEEDMO CC(C)CC[C@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619511271 369453343 /nfs/dbraw/zinc/45/33/43/369453343.db2.gz XZFMNKHVNGGNAZ-KBPBESRZSA-N 1 1 238.375 2.409 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1COCC ZINC000459717614 203340729 /nfs/dbraw/zinc/34/07/29/203340729.db2.gz QTXPHEOXSMXFJR-KGLIPLIRSA-N 1 1 241.375 2.205 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1COCC ZINC000459717615 203340815 /nfs/dbraw/zinc/34/08/15/203340815.db2.gz QTXPHEOXSMXFJR-UONOGXRCSA-N 1 1 241.375 2.205 20 30 BEEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1COCC ZINC000459724011 203342777 /nfs/dbraw/zinc/34/27/77/203342777.db2.gz WBCAACMTVSSWIY-CQSZACIVSA-N 1 1 241.375 2.470 20 30 BEEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000259966008 370955896 /nfs/dbraw/zinc/95/58/96/370955896.db2.gz JSCZUZHZILQBEX-CHWSQXEVSA-N 1 1 222.332 2.039 20 30 BEEDMO N#CC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000259934739 370956511 /nfs/dbraw/zinc/95/65/11/370956511.db2.gz HUXULOPONCPWNM-SNVBAGLBSA-N 1 1 221.329 2.269 20 30 BEEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000259934739 370956515 /nfs/dbraw/zinc/95/65/15/370956515.db2.gz HUXULOPONCPWNM-SNVBAGLBSA-N 1 1 221.329 2.269 20 30 BEEDMO Cn1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000260043686 370967106 /nfs/dbraw/zinc/96/71/06/370967106.db2.gz NTLWPHGDDRLZRG-LBPRGKRZSA-N 1 1 217.316 2.151 20 30 BEEDMO CC#CCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459827086 203375071 /nfs/dbraw/zinc/37/50/71/203375071.db2.gz MVGKCSBSYIYLSN-GFCCVEGCSA-N 1 1 239.359 2.309 20 30 BEEDMO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600193142 369513670 /nfs/dbraw/zinc/51/36/70/369513670.db2.gz WAZCALDTWFINOJ-AOOOYVTPSA-N 1 1 204.298 2.071 20 30 BEEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000600216130 369514516 /nfs/dbraw/zinc/51/45/16/369514516.db2.gz UNPFGSPPCRWGHT-UHFFFAOYSA-N 1 1 236.315 2.134 20 30 BEEDMO COc1cc(C[N@@H+]2CC=CCC2)ccc1C#N ZINC000619674766 369522197 /nfs/dbraw/zinc/52/21/97/369522197.db2.gz SNIJABYSJKYBNG-UHFFFAOYSA-N 1 1 228.295 2.329 20 30 BEEDMO N#CCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459792133 203370766 /nfs/dbraw/zinc/37/07/66/203370766.db2.gz IGIGDJRRZWUZMZ-UONOGXRCSA-N 1 1 236.359 2.163 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(CC)C1 ZINC000619718215 369548998 /nfs/dbraw/zinc/54/89/98/369548998.db2.gz CNYDUYVWIGSSMH-AAEUAGOBSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(CC)C1 ZINC000619718215 369549002 /nfs/dbraw/zinc/54/90/02/369549002.db2.gz CNYDUYVWIGSSMH-AAEUAGOBSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000619720163 369549913 /nfs/dbraw/zinc/54/99/13/369549913.db2.gz JOWFLRMLGWCTJA-RYUDHWBXSA-N 1 1 237.343 2.226 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000619720163 369549916 /nfs/dbraw/zinc/54/99/16/369549916.db2.gz JOWFLRMLGWCTJA-RYUDHWBXSA-N 1 1 237.343 2.226 20 30 BEEDMO C=C[C@@H](C(=O)OC)[NH+]1CCC(C)(C(C)C)CC1 ZINC000619721818 369552828 /nfs/dbraw/zinc/55/28/28/369552828.db2.gz FLLYEGTWTYYYTD-LBPRGKRZSA-N 1 1 239.359 2.472 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000619722166 369552985 /nfs/dbraw/zinc/55/29/85/369552985.db2.gz PHCZMKIKXGLAJC-VXGBXAGGSA-N 1 1 225.332 2.082 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000619722166 369552990 /nfs/dbraw/zinc/55/29/90/369552990.db2.gz PHCZMKIKXGLAJC-VXGBXAGGSA-N 1 1 225.332 2.082 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000619896889 369627862 /nfs/dbraw/zinc/62/78/62/369627862.db2.gz APBDGAPDKZUXIM-OLZOCXBDSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000619905249 369635797 /nfs/dbraw/zinc/63/57/97/369635797.db2.gz VXJYPRQAZFEWNR-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C/C=C/C[NH2+]Cc1cccc(F)c1C#N ZINC000602017972 369734814 /nfs/dbraw/zinc/73/48/14/369734814.db2.gz VGZCAVGEGPWJNT-NSCUHMNNSA-N 1 1 204.248 2.363 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000620301661 369817218 /nfs/dbraw/zinc/81/72/18/369817218.db2.gz IIKQRTYNHDOZSU-YIYPIFLZSA-N 1 1 248.370 2.036 20 30 BEEDMO C[C@@H]1CCSCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602630530 369832179 /nfs/dbraw/zinc/83/21/79/369832179.db2.gz MMZQKJBIJDCCEI-LLVKDONJSA-N 1 1 247.367 2.281 20 30 BEEDMO CC[C@H](C)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602446435 369788483 /nfs/dbraw/zinc/78/84/83/369788483.db2.gz CJZCKZGZMYJALM-NSHDSACASA-N 1 1 217.316 2.431 20 30 BEEDMO C[C@@H]1C[NH+](Cc2cccc(C#N)n2)C[C@@H](C)S1 ZINC000602451435 369789970 /nfs/dbraw/zinc/78/99/70/369789970.db2.gz OONGPIVQHGIQIL-GHMZBOCLSA-N 1 1 247.367 2.279 20 30 BEEDMO CC[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602446434 369790202 /nfs/dbraw/zinc/79/02/02/369790202.db2.gz CJZCKZGZMYJALM-LLVKDONJSA-N 1 1 217.316 2.431 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@H]1C ZINC000602471337 369791939 /nfs/dbraw/zinc/79/19/39/369791939.db2.gz CFOLDZQIVCXDKC-VXGBXAGGSA-N 1 1 229.327 2.431 20 30 BEEDMO CC1(C)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602470298 369792875 /nfs/dbraw/zinc/79/28/75/369792875.db2.gz ZZVFHBOJTGNKNL-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)n2)[C@@H]1C ZINC000602473954 369793034 /nfs/dbraw/zinc/79/30/34/369793034.db2.gz MWBGDOPDSSVYCR-GHMZBOCLSA-N 1 1 247.367 2.279 20 30 BEEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)n2)[C@@H]1C ZINC000602473954 369793035 /nfs/dbraw/zinc/79/30/35/369793035.db2.gz MWBGDOPDSSVYCR-GHMZBOCLSA-N 1 1 247.367 2.279 20 30 BEEDMO C[N@@H+](CCC1CC1)Cc1cccc(C#N)n1 ZINC000602485710 369794915 /nfs/dbraw/zinc/79/49/15/369794915.db2.gz LWYXKSVUUQZMMG-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@H]1OCC[C@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000602758904 369848697 /nfs/dbraw/zinc/84/86/97/369848697.db2.gz JDQYTYYREMDHMZ-DOMZBBRYSA-N 1 1 244.338 2.415 20 30 BEEDMO CC1(C)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000602752663 369849142 /nfs/dbraw/zinc/84/91/42/369849142.db2.gz YBRCAFUYMROCDN-UHFFFAOYSA-N 1 1 206.314 2.462 20 30 BEEDMO C[C@@H]1OCC[C@H]1C[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000602871646 369858391 /nfs/dbraw/zinc/85/83/91/369858391.db2.gz SGWMSMLKUKZENF-AAEUAGOBSA-N 1 1 242.322 2.299 20 30 BEEDMO C[C@@H]1OCC[C@H]1C[N@H+]1Cc2cccc(C#N)c2C1 ZINC000602871646 369858392 /nfs/dbraw/zinc/85/83/92/369858392.db2.gz SGWMSMLKUKZENF-AAEUAGOBSA-N 1 1 242.322 2.299 20 30 BEEDMO C[N@H+]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000110718989 369965092 /nfs/dbraw/zinc/96/50/92/369965092.db2.gz HQLUUTYHUURBFB-UHFFFAOYSA-N 1 1 243.354 2.084 20 30 BEEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000206204976 370097305 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/nfs/dbraw/zinc/81/39/90/168813990.db2.gz MHSYLIKPWIKNPJ-UHFFFAOYSA-N 1 1 232.327 2.153 20 30 BEEDMO C=CCC[N@@H+](C)Cc1nccn1C(F)F ZINC000157163642 371530193 /nfs/dbraw/zinc/53/01/93/371530193.db2.gz OOUSWLWNOLZCDM-UHFFFAOYSA-N 1 1 215.247 2.286 20 30 BEEDMO C=CCC[N@H+](C)Cc1nccn1C(F)F ZINC000157163642 371530203 /nfs/dbraw/zinc/53/02/03/371530203.db2.gz OOUSWLWNOLZCDM-UHFFFAOYSA-N 1 1 215.247 2.286 20 30 BEEDMO C=CC[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000161953761 371594544 /nfs/dbraw/zinc/59/45/44/371594544.db2.gz IRHRLPOYPLWVLZ-LBPRGKRZSA-N 1 1 225.332 2.228 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000162303287 371654072 /nfs/dbraw/zinc/65/40/72/371654072.db2.gz AXRRFTVABJLBHV-CYBMUJFWSA-N 1 1 237.343 2.065 20 30 BEEDMO CC[C@@]1(O)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000602738271 371836592 /nfs/dbraw/zinc/83/65/92/371836592.db2.gz DEEGHBFPVKBBPT-OAHLLOKOSA-N 1 1 244.338 2.295 20 30 BEEDMO C[N@@H+]1CCC[C@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000227336119 371837282 /nfs/dbraw/zinc/83/72/82/371837282.db2.gz SRHKPXNOOQDHFG-UONOGXRCSA-N 1 1 247.386 2.096 20 30 BEEDMO C[N@H+]1CCC[C@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000227336119 371837289 /nfs/dbraw/zinc/83/72/89/371837289.db2.gz SRHKPXNOOQDHFG-UONOGXRCSA-N 1 1 247.386 2.096 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1CC[C@@H]1CCOC1 ZINC000426564207 206050574 /nfs/dbraw/zinc/05/05/74/206050574.db2.gz CAAJXTKTUKLZAX-OLZOCXBDSA-N 1 1 209.333 2.454 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000426564208 206053029 /nfs/dbraw/zinc/05/30/29/206053029.db2.gz CAAJXTKTUKLZAX-QWHCGFSZSA-N 1 1 209.333 2.454 20 30 BEEDMO CC(C)c1ncc(C[N@H+](C)CCCC#N)cn1 ZINC000440476262 206077014 /nfs/dbraw/zinc/07/70/14/206077014.db2.gz GIDRZKLTRGTTNX-UHFFFAOYSA-N 1 1 232.331 2.336 20 30 BEEDMO CC(C)c1ncc(C[N@@H+](C)CCCC#N)cn1 ZINC000440476262 206077018 /nfs/dbraw/zinc/07/70/18/206077018.db2.gz GIDRZKLTRGTTNX-UHFFFAOYSA-N 1 1 232.331 2.336 20 30 BEEDMO C=CC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440463706 206077942 /nfs/dbraw/zinc/07/79/42/206077942.db2.gz FCUGQJYIAJQNFP-UHFFFAOYSA-N 1 1 205.305 2.218 20 30 BEEDMO C=CC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440463706 206077947 /nfs/dbraw/zinc/07/79/47/206077947.db2.gz FCUGQJYIAJQNFP-UHFFFAOYSA-N 1 1 205.305 2.218 20 30 BEEDMO OC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000151175697 183029588 /nfs/dbraw/zinc/02/95/88/183029588.db2.gz IOMVNGQHYUIDMX-UHFFFAOYSA-N 1 1 249.741 2.148 20 30 BEEDMO CCC[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000120728575 169081986 /nfs/dbraw/zinc/08/19/86/169081986.db2.gz GIKCTCJMLCXDBH-UHFFFAOYSA-N 1 1 218.300 2.409 20 30 BEEDMO CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037098388 169085356 /nfs/dbraw/zinc/08/53/56/169085356.db2.gz IGTVNSAIZDHKCY-NSHDSACASA-N 1 1 245.326 2.227 20 30 BEEDMO COC[C@H](C)[N@@H+](C)CC(C)(C)CCC#N ZINC000179374154 134316441 /nfs/dbraw/zinc/31/64/41/134316441.db2.gz ILVQWXAHUNEHQA-NSHDSACASA-N 1 1 212.337 2.283 20 30 BEEDMO CO[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1C ZINC000221133820 134317127 /nfs/dbraw/zinc/31/71/27/134317127.db2.gz OHJYWFSXPGXXGW-NWDGAFQWSA-N 1 1 224.348 2.283 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000181333340 134335535 /nfs/dbraw/zinc/33/55/35/134335535.db2.gz QEHKICYCWWUYRI-UHFFFAOYSA-N 1 1 223.272 2.074 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000181297881 134335360 /nfs/dbraw/zinc/33/53/60/134335360.db2.gz LQRGXGARMMGBRZ-LBPRGKRZSA-N 1 1 226.364 2.045 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001644370636 1172550829 /nfs/dbraw/zinc/55/08/29/1172550829.db2.gz BKXSBOQOPPPXLZ-STQMWFEESA-N 1 1 244.342 2.348 20 30 BEEDMO C=CC[C@H](C)[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001644718759 1172596746 /nfs/dbraw/zinc/59/67/46/1172596746.db2.gz YKTRWXVOGLJUBH-LBPRGKRZSA-N 1 1 238.375 2.282 20 30 BEEDMO N#CCCCC[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001644985719 1172624544 /nfs/dbraw/zinc/62/45/44/1172624544.db2.gz HOJVKFZIINVOLY-ZJUUUORDSA-N 1 1 214.259 2.267 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000298581110 532983771 /nfs/dbraw/zinc/98/37/71/532983771.db2.gz RAIFOWFLVBTZMO-AWEZNQCLSA-N 1 1 231.339 2.454 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC001644997117 1172627243 /nfs/dbraw/zinc/62/72/43/1172627243.db2.gz WBAYMYMLLIGYEH-XQQFMLRXSA-N 1 1 209.333 2.024 20 30 BEEDMO Cn1cc(C[N@@H+](C)CCCC(C)(C)C#N)cn1 ZINC000087608557 383853125 /nfs/dbraw/zinc/85/31/25/383853125.db2.gz ZFOWANOEBKVWPJ-UHFFFAOYSA-N 1 1 234.347 2.182 20 30 BEEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000152549698 383856354 /nfs/dbraw/zinc/85/63/54/383856354.db2.gz UPEAUMJXJCMSKG-VIFPVBQESA-N 1 1 209.293 2.337 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(C)o1 ZINC000152549698 383856357 /nfs/dbraw/zinc/85/63/57/383856357.db2.gz UPEAUMJXJCMSKG-VIFPVBQESA-N 1 1 209.293 2.337 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088102329 383881100 /nfs/dbraw/zinc/88/11/00/383881100.db2.gz PIOUGDMDCWTYNU-GFCCVEGCSA-N 1 1 244.338 2.255 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088102329 383881106 /nfs/dbraw/zinc/88/11/06/383881106.db2.gz PIOUGDMDCWTYNU-GFCCVEGCSA-N 1 1 244.338 2.255 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000298546427 383914878 /nfs/dbraw/zinc/91/48/78/383914878.db2.gz NPXFVWKLULJYNO-HOTGVXAUSA-N 1 1 243.350 2.425 20 30 BEEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCOC1 ZINC000178337037 383916727 /nfs/dbraw/zinc/91/67/27/383916727.db2.gz QLLJEHUWECTIJX-GFCCVEGCSA-N 1 1 230.311 2.027 20 30 BEEDMO C=CC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000116853702 383888404 /nfs/dbraw/zinc/88/84/04/383888404.db2.gz ATZRZWIWWMTUFJ-OCCSQVGLSA-N 1 1 246.354 2.370 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1 ZINC000037680697 383995506 /nfs/dbraw/zinc/99/55/06/383995506.db2.gz PESRTGKXXBMZBQ-GFCCVEGCSA-N 1 1 218.300 2.477 20 30 BEEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCOC1 ZINC000178369937 384015719 /nfs/dbraw/zinc/01/57/19/384015719.db2.gz GKEVWOROPKDAHN-NSHDSACASA-N 1 1 248.301 2.166 20 30 BEEDMO C[NH+](C)C1(CNCc2ccc(C#N)cc2)CCC1 ZINC000097927825 384044407 /nfs/dbraw/zinc/04/44/07/384044407.db2.gz YGPMYQHCABYBFP-UHFFFAOYSA-N 1 1 243.354 2.132 20 30 BEEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCC1 ZINC000135415824 384046022 /nfs/dbraw/zinc/04/60/22/384046022.db2.gz ADPXIYMXPPGSFC-UHFFFAOYSA-N 1 1 230.311 2.421 20 30 BEEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000289120595 384029227 /nfs/dbraw/zinc/02/92/27/384029227.db2.gz QSUFJMCKAMZRBE-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1csc(CC)n1 ZINC000229963326 259644505 /nfs/dbraw/zinc/64/45/05/259644505.db2.gz DKNILWRHKZSGTF-VIFPVBQESA-N 1 1 208.330 2.207 20 30 BEEDMO C#CCCCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000375843581 533034133 /nfs/dbraw/zinc/03/41/33/533034133.db2.gz YDWFWTQKYMQPBM-RBSFLKMASA-N 1 1 234.387 2.252 20 30 BEEDMO C#CCC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000299242117 384153151 /nfs/dbraw/zinc/15/31/51/384153151.db2.gz UYLCJIYEUDCSFT-UHFFFAOYSA-N 1 1 244.338 2.197 20 30 BEEDMO C#CCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000299242117 384153154 /nfs/dbraw/zinc/15/31/54/384153154.db2.gz UYLCJIYEUDCSFT-UHFFFAOYSA-N 1 1 244.338 2.197 20 30 BEEDMO CC[N@@H+](CCC#N)CCC1(OC)CCC1 ZINC000310457159 384173158 /nfs/dbraw/zinc/17/31/58/384173158.db2.gz DHMXLGCYHMCJNS-UHFFFAOYSA-N 1 1 210.321 2.181 20 30 BEEDMO CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185771142 134394986 /nfs/dbraw/zinc/39/49/86/134394986.db2.gz GXXDRQMUGPBTST-HZSPNIEDSA-N 1 1 237.391 2.389 20 30 BEEDMO CC(C)[N@H+]1CC[C@H](CNc2cnccc2C#N)C1 ZINC000135602527 384194752 /nfs/dbraw/zinc/19/47/52/384194752.db2.gz NCXBTOKGCXNCAZ-GFCCVEGCSA-N 1 1 244.342 2.095 20 30 BEEDMO COc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000093090914 384209937 /nfs/dbraw/zinc/20/99/37/384209937.db2.gz GKUFYGKGXKGZQA-JTQLQIEISA-N 1 1 234.299 2.135 20 30 BEEDMO COc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1O ZINC000093090914 384209943 /nfs/dbraw/zinc/20/99/43/384209943.db2.gz GKUFYGKGXKGZQA-JTQLQIEISA-N 1 1 234.299 2.135 20 30 BEEDMO CC[N@@H+](C)CCNc1cccc(F)c1C#N ZINC000082367236 384210912 /nfs/dbraw/zinc/21/09/12/384210912.db2.gz NDWKIAJMUITWFY-UHFFFAOYSA-N 1 1 221.279 2.061 20 30 BEEDMO COc1cccc(C[N@H+](C)[C@H](C)CC#N)c1O ZINC000093090915 384210845 /nfs/dbraw/zinc/21/08/45/384210845.db2.gz GKUFYGKGXKGZQA-SNVBAGLBSA-N 1 1 234.299 2.135 20 30 BEEDMO COc1cccc(C[N@@H+](C)[C@H](C)CC#N)c1O ZINC000093090915 384210848 /nfs/dbraw/zinc/21/08/48/384210848.db2.gz GKUFYGKGXKGZQA-SNVBAGLBSA-N 1 1 234.299 2.135 20 30 BEEDMO C#CCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000371204012 533050851 /nfs/dbraw/zinc/05/08/51/533050851.db2.gz FGKOTAHVRIGVLG-INIZCTEOSA-N 1 1 248.414 2.454 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](CO)C(C)(C)C ZINC000134399034 384256514 /nfs/dbraw/zinc/25/65/14/384256514.db2.gz SSHZUYASJSATIM-CQSZACIVSA-N 1 1 246.354 2.397 20 30 BEEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@H]1O ZINC000286354276 384280384 /nfs/dbraw/zinc/28/03/84/384280384.db2.gz FRAXHEGJMJSBMS-ZIAGYGMSSA-N 1 1 248.301 2.043 20 30 BEEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424839 384284451 /nfs/dbraw/zinc/28/44/51/384284451.db2.gz SXGPZNGXXGKTJJ-CABCVRRESA-N 1 1 242.322 2.169 20 30 BEEDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000335545700 384300703 /nfs/dbraw/zinc/30/07/03/384300703.db2.gz YDVLHHUAIZIDGG-SWLSCSKDSA-N 1 1 244.338 2.009 20 30 BEEDMO C=CCCC[NH2+]C1CCN(C(C)C)CC1 ZINC000308838340 384340322 /nfs/dbraw/zinc/34/03/22/384340322.db2.gz XLDSDJYRCJFCBT-UHFFFAOYSA-N 1 1 210.365 2.415 20 30 BEEDMO C[N@H+](CCCCC#N)Cc1nccn1C(F)F ZINC000076032153 384354037 /nfs/dbraw/zinc/35/40/37/384354037.db2.gz DJRRHTZBQFTEEH-UHFFFAOYSA-N 1 1 242.273 2.404 20 30 BEEDMO C[N@@H+](CCCCC#N)Cc1nccn1C(F)F ZINC000076032153 384354044 /nfs/dbraw/zinc/35/40/44/384354044.db2.gz DJRRHTZBQFTEEH-UHFFFAOYSA-N 1 1 242.273 2.404 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1scnc1C ZINC000084149398 384369556 /nfs/dbraw/zinc/36/95/56/384369556.db2.gz RZUMUQGICNQZQL-SECBINFHSA-N 1 1 209.318 2.233 20 30 BEEDMO CN(C)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174861573 384371220 /nfs/dbraw/zinc/37/12/20/384371220.db2.gz BTMRGMIYKDAKGH-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO CN(C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174861573 384371226 /nfs/dbraw/zinc/37/12/26/384371226.db2.gz BTMRGMIYKDAKGH-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000248906648 384417152 /nfs/dbraw/zinc/41/71/52/384417152.db2.gz WQJAMEAYNNJBNB-JKSUJKDBSA-N 1 1 243.350 2.131 20 30 BEEDMO COC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362936040 384376783 /nfs/dbraw/zinc/37/67/83/384376783.db2.gz SPWHYJJJLWNUIN-LBPRGKRZSA-N 1 1 232.327 2.333 20 30 BEEDMO C=C(C)CC[N@H+](C)Cc1cnn(C)c1C ZINC000556819272 384505586 /nfs/dbraw/zinc/50/55/86/384505586.db2.gz RWXPHSARTPVZGT-UHFFFAOYSA-N 1 1 207.321 2.127 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000334416766 384494662 /nfs/dbraw/zinc/49/46/62/384494662.db2.gz OIASOZOBFOXXEC-CYBMUJFWSA-N 1 1 244.338 2.363 20 30 BEEDMO C=CCCCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000517855250 384532426 /nfs/dbraw/zinc/53/24/26/384532426.db2.gz DOBKHJALZXNCDU-WFASDCNBSA-N 1 1 229.389 2.043 20 30 BEEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000564699623 384559293 /nfs/dbraw/zinc/55/92/93/384559293.db2.gz QFVWGFITSCBKCO-QWRGUYRKSA-N 1 1 247.367 2.279 20 30 BEEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000564699623 384559297 /nfs/dbraw/zinc/55/92/97/384559297.db2.gz QFVWGFITSCBKCO-QWRGUYRKSA-N 1 1 247.367 2.279 20 30 BEEDMO N#CCCCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309585431 384569186 /nfs/dbraw/zinc/56/91/86/384569186.db2.gz SABYWSRFSFNTSB-NSHDSACASA-N 1 1 218.304 2.071 20 30 BEEDMO C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000080626694 384572044 /nfs/dbraw/zinc/57/20/44/384572044.db2.gz RQSJWEGZAYUPJQ-LLVKDONJSA-N 1 1 212.362 2.365 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(C)c1C ZINC000171654202 384625968 /nfs/dbraw/zinc/62/59/68/384625968.db2.gz BCZJASUBGSFVHS-UHFFFAOYSA-N 1 1 207.321 2.045 20 30 BEEDMO C=CC[C@H](CC)Nc1cc[nH+]c(N(C)C)n1 ZINC000309848897 384667597 /nfs/dbraw/zinc/66/75/97/384667597.db2.gz IBHYQAGKAVSYPF-JTQLQIEISA-N 1 1 220.320 2.309 20 30 BEEDMO C[N@@H+](CCC1CC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000135278848 384635157 /nfs/dbraw/zinc/63/51/57/384635157.db2.gz BWPCSUITZWHSBJ-HNNXBMFYSA-N 1 1 244.338 2.324 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1OC ZINC000491774446 384646672 /nfs/dbraw/zinc/64/66/72/384646672.db2.gz CWWXRNPVVAYRGU-NSHDSACASA-N 1 1 233.311 2.157 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)ccc1OC ZINC000491774446 384646680 /nfs/dbraw/zinc/64/66/80/384646680.db2.gz CWWXRNPVVAYRGU-NSHDSACASA-N 1 1 233.311 2.157 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491774727 384648264 /nfs/dbraw/zinc/64/82/64/384648264.db2.gz AULCEPCSFYPBGQ-UKRRQHHQSA-N 1 1 245.366 2.495 20 30 BEEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000155092739 384689316 /nfs/dbraw/zinc/68/93/16/384689316.db2.gz RMVAWCFYDHPNEO-HNNXBMFYSA-N 1 1 229.323 2.473 20 30 BEEDMO CC#CCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000155092739 384689331 /nfs/dbraw/zinc/68/93/31/384689331.db2.gz RMVAWCFYDHPNEO-HNNXBMFYSA-N 1 1 229.323 2.473 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000491785619 384692767 /nfs/dbraw/zinc/69/27/67/384692767.db2.gz SNFAQSDDMFXRJX-CYBMUJFWSA-N 1 1 239.322 2.326 20 30 BEEDMO C#C[C@H](C)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368051250 384716084 /nfs/dbraw/zinc/71/60/84/384716084.db2.gz LHXUDOQJYHVWJY-OFQRWUPVSA-N 1 1 242.366 2.433 20 30 BEEDMO C#C[C@H](C)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368051250 384716090 /nfs/dbraw/zinc/71/60/90/384716090.db2.gz LHXUDOQJYHVWJY-OFQRWUPVSA-N 1 1 242.366 2.433 20 30 BEEDMO C[C@H](CC#N)[NH2+]Cc1ccccc1N(C)C ZINC000381455046 384775023 /nfs/dbraw/zinc/77/50/23/384775023.db2.gz JCUSJZRMYGVGRB-LLVKDONJSA-N 1 1 217.316 2.144 20 30 BEEDMO CC[N@@H+](CCCC#N)Cc1ccncc1 ZINC000042221953 384776294 /nfs/dbraw/zinc/77/62/94/384776294.db2.gz FXQSNJBHXGHGCQ-UHFFFAOYSA-N 1 1 203.289 2.207 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000491408948 384745621 /nfs/dbraw/zinc/74/56/21/384745621.db2.gz XWFQFCWQFWUODM-ZJUUUORDSA-N 1 1 201.260 2.375 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000491810626 384824675 /nfs/dbraw/zinc/82/46/75/384824675.db2.gz JNJMRFDBEYYOIP-SNVBAGLBSA-N 1 1 247.729 2.489 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000648203685 384833427 /nfs/dbraw/zinc/83/34/27/384833427.db2.gz QZAKFJCFIKNPIH-LBPRGKRZSA-N 1 1 238.375 2.045 20 30 BEEDMO CC(C)(C#N)CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000119600302 384881898 /nfs/dbraw/zinc/88/18/98/384881898.db2.gz KLCYWBISNSQPOI-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO CC[N@H+](CCn1cc(Cl)cn1)C[C@@H](C)C#N ZINC000312889687 384846495 /nfs/dbraw/zinc/84/64/95/384846495.db2.gz JNFNAERNMPMOAZ-JTQLQIEISA-N 1 1 240.738 2.018 20 30 BEEDMO CC[N@@H+](CCn1cc(Cl)cn1)C[C@@H](C)C#N ZINC000312889687 384846501 /nfs/dbraw/zinc/84/65/01/384846501.db2.gz JNFNAERNMPMOAZ-JTQLQIEISA-N 1 1 240.738 2.018 20 30 BEEDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335205776 384852829 /nfs/dbraw/zinc/85/28/29/384852829.db2.gz NFTBHAYECWIWJB-CQSZACIVSA-N 1 1 244.338 2.098 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000491439400 384852896 /nfs/dbraw/zinc/85/28/96/384852896.db2.gz JLNRGHSUWOPBCD-ZDUSSCGKSA-N 1 1 223.360 2.271 20 30 BEEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)C(C)C ZINC000448979258 384869395 /nfs/dbraw/zinc/86/93/95/384869395.db2.gz HGAIERBCWHBENB-UHFFFAOYSA-N 1 1 226.364 2.045 20 30 BEEDMO C=CCCCCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000193333633 384951004 /nfs/dbraw/zinc/95/10/04/384951004.db2.gz MTCSRQUMCMSZPE-QWHCGFSZSA-N 1 1 238.375 2.319 20 30 BEEDMO C=CCCCCC[N@H+](C)C[C@H](C)C(=O)NC ZINC000193369317 384955093 /nfs/dbraw/zinc/95/50/93/384955093.db2.gz DXHMMYOQWLGMNF-LBPRGKRZSA-N 1 1 226.364 2.047 20 30 BEEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000297807186 384957392 /nfs/dbraw/zinc/95/73/92/384957392.db2.gz IGIRRWPWYVTTMO-ZDUSSCGKSA-N 1 1 246.354 2.151 20 30 BEEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000297807186 384957395 /nfs/dbraw/zinc/95/73/95/384957395.db2.gz IGIRRWPWYVTTMO-ZDUSSCGKSA-N 1 1 246.354 2.151 20 30 BEEDMO C=CCC[C@@H](C)[NH2+]Cc1noc(C2CC2)n1 ZINC000449299825 384958091 /nfs/dbraw/zinc/95/80/91/384958091.db2.gz NTZMOIOZXDNKAH-SECBINFHSA-N 1 1 221.304 2.391 20 30 BEEDMO COc1cc(C[N@@H+](C)CC2CC2)ccc1C#N ZINC000234919896 384892844 /nfs/dbraw/zinc/89/28/44/384892844.db2.gz HUTUFCNORDGUSF-UHFFFAOYSA-N 1 1 230.311 2.409 20 30 BEEDMO CC[N@H+](CCC#N)Cc1cccc(OC)c1O ZINC000127651407 384931374 /nfs/dbraw/zinc/93/13/74/384931374.db2.gz YEGCQFOHMZKFSN-UHFFFAOYSA-N 1 1 234.299 2.136 20 30 BEEDMO CC[N@@H+](CCC#N)Cc1cccc(OC)c1O ZINC000127651407 384931381 /nfs/dbraw/zinc/93/13/81/384931381.db2.gz YEGCQFOHMZKFSN-UHFFFAOYSA-N 1 1 234.299 2.136 20 30 BEEDMO CC1(C#N)CCC([NH2+]Cc2ncccc2O)CC1 ZINC000449295745 384932393 /nfs/dbraw/zinc/93/23/93/384932393.db2.gz UZZICVLOBJUTCA-UHFFFAOYSA-N 1 1 245.326 2.349 20 30 BEEDMO C=CC[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000497278888 384935075 /nfs/dbraw/zinc/93/50/75/384935075.db2.gz DDRYGCBMSPNHAU-LBPRGKRZSA-N 1 1 240.347 2.115 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000307523724 385051247 /nfs/dbraw/zinc/05/12/47/385051247.db2.gz QLLOXCUDZFJIKD-MRVPVSSYSA-N 1 1 242.116 2.496 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000307523724 385051253 /nfs/dbraw/zinc/05/12/53/385051253.db2.gz QLLOXCUDZFJIKD-MRVPVSSYSA-N 1 1 242.116 2.496 20 30 BEEDMO Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)ccc1C#N ZINC000451366390 385053874 /nfs/dbraw/zinc/05/38/74/385053874.db2.gz GJZPGTSRWHFJNL-GFCCVEGCSA-N 1 1 246.354 2.458 20 30 BEEDMO C[N@H+](CC#Cc1ccccc1)CCCCCO ZINC000227118886 385090369 /nfs/dbraw/zinc/09/03/69/385090369.db2.gz OLPSYHHEPJUHLX-UHFFFAOYSA-N 1 1 231.339 2.133 20 30 BEEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1C#N ZINC000599264778 385102141 /nfs/dbraw/zinc/10/21/41/385102141.db2.gz NFXFGAIBPRSICC-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)o1 ZINC000060992961 385105939 /nfs/dbraw/zinc/10/59/39/385105939.db2.gz GGVWGGFMPVEWGZ-UHFFFAOYSA-N 1 1 237.299 2.464 20 30 BEEDMO CO[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000189266527 385143428 /nfs/dbraw/zinc/14/34/28/385143428.db2.gz OUFJCJGTNDNHOD-WFASDCNBSA-N 1 1 244.338 2.415 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cc(C)on1)C(C)(C)C ZINC000491553703 385144614 /nfs/dbraw/zinc/14/46/14/385144614.db2.gz BZPIKKNFMPRCNI-NSHDSACASA-N 1 1 206.289 2.121 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001645241041 1172644164 /nfs/dbraw/zinc/64/41/64/1172644164.db2.gz PDTDNTXAEWOBIC-SMDDNHRTSA-N 1 1 238.375 2.045 20 30 BEEDMO N#CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000176878212 385155299 /nfs/dbraw/zinc/15/52/99/385155299.db2.gz MQOQZZRYEPQXIG-UHFFFAOYSA-N 1 1 221.691 2.475 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@](C)(O)CC ZINC000298104584 385160299 /nfs/dbraw/zinc/16/02/99/385160299.db2.gz LSJGMFOJHHJUDA-HNNXBMFYSA-N 1 1 249.329 2.422 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000448821107 385176549 /nfs/dbraw/zinc/17/65/49/385176549.db2.gz FMDTXVATBAQAAM-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO CC#CCCNc1cc(C)[nH+]c(CC)n1 ZINC000308809248 385179341 /nfs/dbraw/zinc/17/93/41/385179341.db2.gz QDPGONOPUYLHTD-UHFFFAOYSA-N 1 1 203.289 2.173 20 30 BEEDMO CC#CCO[NH+]=C(N)CCCc1ccccc1 ZINC000165904879 385206817 /nfs/dbraw/zinc/20/68/17/385206817.db2.gz MSSXEILGKUGAHM-UHFFFAOYSA-N 1 1 230.311 2.321 20 30 BEEDMO CC#CCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000157576265 385217694 /nfs/dbraw/zinc/21/76/94/385217694.db2.gz JXZGWHLQTCVFTB-GFCCVEGCSA-N 1 1 244.329 2.061 20 30 BEEDMO C=CC[C@@H](CO)CNc1cc[nH+]cc1Cl ZINC000308895661 385251435 /nfs/dbraw/zinc/25/14/35/385251435.db2.gz ZXLQBPRBWXKAMM-SECBINFHSA-N 1 1 226.707 2.332 20 30 BEEDMO C#CC[N@H+](CC[C@H](C)O)C1CCCCC1 ZINC000491255661 385255195 /nfs/dbraw/zinc/25/51/95/385255195.db2.gz XQRQDVDYCOUMBC-LBPRGKRZSA-N 1 1 209.333 2.025 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000491633638 385263805 /nfs/dbraw/zinc/26/38/05/385263805.db2.gz SLFWHACTCKXBLK-GFCCVEGCSA-N 1 1 245.322 2.301 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000491633638 385263810 /nfs/dbraw/zinc/26/38/10/385263810.db2.gz SLFWHACTCKXBLK-GFCCVEGCSA-N 1 1 245.322 2.301 20 30 BEEDMO C=CCCCCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000300224900 385276542 /nfs/dbraw/zinc/27/65/42/385276542.db2.gz PNRJXTJHHMMDEX-MJBXVCDLSA-N 1 1 223.360 2.436 20 30 BEEDMO CCCN(CC#N)Cc1cc(OC)cc(C)[nH+]1 ZINC000168891856 385391140 /nfs/dbraw/zinc/39/11/40/385391140.db2.gz LZHFEGUTWUSZIZ-UHFFFAOYSA-N 1 1 233.315 2.134 20 30 BEEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccon1 ZINC000309024324 385367406 /nfs/dbraw/zinc/36/74/06/385367406.db2.gz YZUGBEAHIOXBEP-IVZWLZJFSA-N 1 1 205.261 2.017 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc2cccc(C)n12 ZINC000491669382 385422982 /nfs/dbraw/zinc/42/29/82/385422982.db2.gz UJENUWYQHAPEON-LLVKDONJSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000491669382 385422986 /nfs/dbraw/zinc/42/29/86/385422986.db2.gz UJENUWYQHAPEON-LLVKDONJSA-N 1 1 227.311 2.096 20 30 BEEDMO Cc1cc[nH+]c(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000309168462 385446207 /nfs/dbraw/zinc/44/62/07/385446207.db2.gz KBTKNTPVIVWBGO-WDEREUQCSA-N 1 1 201.273 2.494 20 30 BEEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190039495 385428387 /nfs/dbraw/zinc/42/83/87/385428387.db2.gz TTXHPNATLQFYID-XUJVJEKNSA-N 1 1 244.338 2.322 20 30 BEEDMO C#CC[NH+](CC#C)[C@@H](C)c1cccc(C#N)c1 ZINC000299443408 533119907 /nfs/dbraw/zinc/11/99/07/533119907.db2.gz YKTJMFQHVPUSGZ-ZDUSSCGKSA-N 1 1 222.291 2.188 20 30 BEEDMO NC(=[NH+]OCc1ccon1)C1CCCCC1 ZINC000156954877 385476364 /nfs/dbraw/zinc/47/63/64/385476364.db2.gz XTFFUOQGBOFRMG-UHFFFAOYSA-N 1 1 223.276 2.044 20 30 BEEDMO CC(C)CCOCC[N@H+](C)[C@@H](C)CC#N ZINC000063095415 385593585 /nfs/dbraw/zinc/59/35/85/385593585.db2.gz YYKZIKFACBAYPQ-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO CC(C)CCOCC[N@@H+](C)[C@@H](C)CC#N ZINC000063095415 385593587 /nfs/dbraw/zinc/59/35/87/385593587.db2.gz YYKZIKFACBAYPQ-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO C[C@@H](CC(F)(F)F)[NH2+]Cc1nc(C#N)cs1 ZINC000309496213 385616744 /nfs/dbraw/zinc/61/67/44/385616744.db2.gz TYDNGQGAWNLORU-LURJTMIESA-N 1 1 249.261 2.445 20 30 BEEDMO CC(C)[N@H+](CCC#N)CCc1nccs1 ZINC000159946278 385621469 /nfs/dbraw/zinc/62/14/69/385621469.db2.gz VAFFFGQRJVNBMN-UHFFFAOYSA-N 1 1 223.345 2.310 20 30 BEEDMO CC(C)[N@@H+](CCC#N)CCc1nccs1 ZINC000159946278 385621477 /nfs/dbraw/zinc/62/14/77/385621477.db2.gz VAFFFGQRJVNBMN-UHFFFAOYSA-N 1 1 223.345 2.310 20 30 BEEDMO C[C@]1(C2CC2)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000595625031 385635490 /nfs/dbraw/zinc/63/54/90/385635490.db2.gz JJNZYFASGJWPAU-IACUBPJLSA-N 1 1 234.343 2.180 20 30 BEEDMO CCN(C[C@@H]1CCCC[N@H+]1C(C)C)[C@H](C)C#N ZINC000595821619 385639193 /nfs/dbraw/zinc/63/91/93/385639193.db2.gz XKLAZIKHAXONNU-KGLIPLIRSA-N 1 1 237.391 2.483 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000495680349 385665532 /nfs/dbraw/zinc/66/55/32/385665532.db2.gz SWTQSQDPSAPOSC-LBPRGKRZSA-N 1 1 240.347 2.163 20 30 BEEDMO C=CCOCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645208326 385654645 /nfs/dbraw/zinc/65/46/45/385654645.db2.gz OYNRXLJDSSIADM-UHFFFAOYSA-N 1 1 246.314 2.189 20 30 BEEDMO CCC#C[C@H](C)[N@H+](C)Cc1conc1CC ZINC000645227091 385690764 /nfs/dbraw/zinc/69/07/64/385690764.db2.gz IXKARIUWFRGKLM-NSHDSACASA-N 1 1 220.316 2.471 20 30 BEEDMO CCC#C[C@H](C)[N@@H+](C)Cc1conc1CC ZINC000645227091 385690770 /nfs/dbraw/zinc/69/07/70/385690770.db2.gz IXKARIUWFRGKLM-NSHDSACASA-N 1 1 220.316 2.471 20 30 BEEDMO C=CCOCC[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451830339 385693855 /nfs/dbraw/zinc/69/38/55/385693855.db2.gz CKASSBLBLZKYPT-QWHCGFSZSA-N 1 1 239.359 2.078 20 30 BEEDMO C=CCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000320188197 385666511 /nfs/dbraw/zinc/66/65/11/385666511.db2.gz FXJWGCMVHHRYCQ-LLVKDONJSA-N 1 1 227.348 2.472 20 30 BEEDMO C=CCCC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC000309665356 385775831 /nfs/dbraw/zinc/77/58/31/385775831.db2.gz SZXDPEIUZIXKTQ-PWSUYJOCSA-N 1 1 225.332 2.272 20 30 BEEDMO COCC#CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250245 385777258 /nfs/dbraw/zinc/77/72/58/385777258.db2.gz JMOMEYBNTOEIEB-QWHCGFSZSA-N 1 1 221.344 2.147 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)CC ZINC000193175022 385805456 /nfs/dbraw/zinc/80/54/56/385805456.db2.gz YCKBDBPZYJTSJA-NEPJUHHUSA-N 1 1 226.364 2.188 20 30 BEEDMO CC(C)[N@H+]1CCCN(CC2(CC#N)CC2)CC1 ZINC000602772836 385820422 /nfs/dbraw/zinc/82/04/22/385820422.db2.gz LBUDSYYQLAFRAX-UHFFFAOYSA-N 1 1 235.375 2.096 20 30 BEEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cnccc1C#N ZINC000291144323 385841123 /nfs/dbraw/zinc/84/11/23/385841123.db2.gz OIKNNTSQXOANDJ-GFCCVEGCSA-N 1 1 246.358 2.486 20 30 BEEDMO C[C@@H]([NH2+]CCF)c1ccc(C#N)cc1F ZINC000309089091 385855747 /nfs/dbraw/zinc/85/57/47/385855747.db2.gz ALMKZEOEZKDOLD-MRVPVSSYSA-N 1 1 210.227 2.317 20 30 BEEDMO C#CC[NH+]1CCC(c2nc(CC(C)C)no2)CC1 ZINC000109560638 533149429 /nfs/dbraw/zinc/14/94/29/533149429.db2.gz WDPDJLCZPNBQMV-UHFFFAOYSA-N 1 1 247.342 2.081 20 30 BEEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC)CC1 ZINC000335074788 386042386 /nfs/dbraw/zinc/04/23/86/386042386.db2.gz DVBVHLKIVAZJCZ-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO C[N@H+](CC(C)(C)C#N)[C@@H]1CC[C@@H](C#N)C1 ZINC000334460010 386112533 /nfs/dbraw/zinc/11/25/33/386112533.db2.gz UFTPFLLTGCSHPG-GHMZBOCLSA-N 1 1 205.305 2.160 20 30 BEEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CC[C@@H](C#N)C1 ZINC000334460010 386112538 /nfs/dbraw/zinc/11/25/38/386112538.db2.gz UFTPFLLTGCSHPG-GHMZBOCLSA-N 1 1 205.305 2.160 20 30 BEEDMO CCSCC[C@@H](C)[N@H+](C)CCC#N ZINC000336642808 386086526 /nfs/dbraw/zinc/08/65/26/386086526.db2.gz ANAOYHQCYAOYCA-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO CCSCC[C@@H](C)[N@@H+](C)CCC#N ZINC000336642808 386086533 /nfs/dbraw/zinc/08/65/33/386086533.db2.gz ANAOYHQCYAOYCA-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO C=CCCC[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000425475547 386149809 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/nfs/dbraw/zinc/72/46/08/386724608.db2.gz NIOBOFYQXCVIFQ-PWSUYJOCSA-N 1 1 225.332 2.272 20 30 BEEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000449495305 386762540 /nfs/dbraw/zinc/76/25/40/386762540.db2.gz OCPBFRVEVXWJFB-RISCZKNCSA-N 1 1 248.326 2.398 20 30 BEEDMO C=CCOc1ccc(CNC[C@@H](C)C[NH2+]C)cc1 ZINC000414839147 386741344 /nfs/dbraw/zinc/74/13/44/386741344.db2.gz LWNYBGLWTMEVDU-ZDUSSCGKSA-N 1 1 248.370 2.197 20 30 BEEDMO CN1CCC[C@@H]([NH2+]CCC#N)c2ccccc21 ZINC000334638956 386781268 /nfs/dbraw/zinc/78/12/68/386781268.db2.gz VNVPJVBEINRHID-CYBMUJFWSA-N 1 1 229.327 2.461 20 30 BEEDMO C[C@H](CC#N)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000248975580 386808382 /nfs/dbraw/zinc/80/83/82/386808382.db2.gz DLFDYMVPASUXSR-DGCLKSJQSA-N 1 1 224.348 2.162 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000248975580 386808385 /nfs/dbraw/zinc/80/83/85/386808385.db2.gz DLFDYMVPASUXSR-DGCLKSJQSA-N 1 1 224.348 2.162 20 30 BEEDMO C=C(C)C[N@@H+](CC)CCO[C@@H]1CCCCO1 ZINC000193041570 386811465 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/nfs/dbraw/zinc/23/29/75/387232975.db2.gz SJXSVJHCFTVYER-CYBMUJFWSA-N 1 1 248.301 2.044 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)C(C)C ZINC000424653348 387237669 /nfs/dbraw/zinc/23/76/69/387237669.db2.gz GMBJQSDEZLQZIB-UHFFFAOYSA-N 1 1 226.364 2.045 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1snnc1C ZINC000514734004 387281178 /nfs/dbraw/zinc/28/11/78/387281178.db2.gz WQWQUOZAVTYVDH-UHFFFAOYSA-N 1 1 211.334 2.245 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1snnc1C ZINC000514734004 387281183 /nfs/dbraw/zinc/28/11/83/387281183.db2.gz WQWQUOZAVTYVDH-UHFFFAOYSA-N 1 1 211.334 2.245 20 30 BEEDMO Cn1cc(C[N@H+]2CCC3(CCC3)C2)cc1C#N ZINC000191370826 387384381 /nfs/dbraw/zinc/38/43/81/387384381.db2.gz RLTJHZFYFFQCDF-UHFFFAOYSA-N 1 1 229.327 2.273 20 30 BEEDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1C#N ZINC000191369072 387384570 /nfs/dbraw/zinc/38/45/70/387384570.db2.gz JDSBSBIJEYTQCN-BETUJISGSA-N 1 1 229.327 2.129 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cccc(C(=O)OC)n1 ZINC000515364851 387374038 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/nfs/dbraw/zinc/33/54/39/387335439.db2.gz BCMXCCYGOYFTNH-CQSZACIVSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CCN(CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000162242324 387335443 /nfs/dbraw/zinc/33/54/43/387335443.db2.gz BCMXCCYGOYFTNH-CQSZACIVSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CCN(CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000162242324 387335447 /nfs/dbraw/zinc/33/54/47/387335447.db2.gz BCMXCCYGOYFTNH-CQSZACIVSA-N 1 1 234.387 2.349 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[C@@H]1O ZINC000270096601 387337165 /nfs/dbraw/zinc/33/71/65/387337165.db2.gz KRZYRPLZYREFDP-CABCVRRESA-N 1 1 244.338 2.151 20 30 BEEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CNCCCO1 ZINC000423496049 387337871 /nfs/dbraw/zinc/33/78/71/387337871.db2.gz VYCIDAILAITLMK-KBPBESRZSA-N 1 1 240.391 2.089 20 30 BEEDMO N#CCCNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000572357155 387344260 /nfs/dbraw/zinc/34/42/60/387344260.db2.gz FVEHELOWVOBEIG-CQSZACIVSA-N 1 1 235.375 2.287 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270577155 387432147 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NSRLLRKSURLKFA-NSHDSACASA-N 1 1 249.310 2.189 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)c(OC)co1 ZINC000489477067 388217287 /nfs/dbraw/zinc/21/72/87/388217287.db2.gz NSRLLRKSURLKFA-NSHDSACASA-N 1 1 249.310 2.189 20 30 BEEDMO C=C(CC)C[N@@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000489470572 388217725 /nfs/dbraw/zinc/21/77/25/388217725.db2.gz GBSUHAWUZPFRKL-QWHCGFSZSA-N 1 1 227.348 2.078 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(C#N)cs1 ZINC000490899878 388259982 /nfs/dbraw/zinc/25/99/82/388259982.db2.gz QPECZEZZUNWBKZ-UHFFFAOYSA-N 1 1 204.298 2.075 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(C#N)cs1 ZINC000490899878 388259985 /nfs/dbraw/zinc/25/99/85/388259985.db2.gz QPECZEZZUNWBKZ-UHFFFAOYSA-N 1 1 204.298 2.075 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC(C)(C)C ZINC000490616948 388242473 /nfs/dbraw/zinc/24/24/73/388242473.db2.gz MWEZJYMRDNJYFE-GFCCVEGCSA-N 1 1 237.343 2.063 20 30 BEEDMO CO[C@H]1CC[N@@H+](CCCCC#N)CC1(C)C ZINC000451545791 388280753 /nfs/dbraw/zinc/28/07/53/388280753.db2.gz ARYCJOTUPCFGLS-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000491286403 388282379 /nfs/dbraw/zinc/28/23/79/388282379.db2.gz IIMHRNVWURMGNE-LLVKDONJSA-N 1 1 227.311 2.096 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCCO[C@H]1CCCCO1 ZINC000491307568 388282435 /nfs/dbraw/zinc/28/24/35/388282435.db2.gz QSMLUJICSVMTPH-ZDUSSCGKSA-N 1 1 239.359 2.263 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491288388 388282493 /nfs/dbraw/zinc/28/24/93/388282493.db2.gz RMWHHSJGMKXSKB-JTQLQIEISA-N 1 1 248.282 2.057 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491288388 388282494 /nfs/dbraw/zinc/28/24/94/388282494.db2.gz RMWHHSJGMKXSKB-JTQLQIEISA-N 1 1 248.282 2.057 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1oc(CC)nc1C ZINC000491314185 388284332 /nfs/dbraw/zinc/28/43/32/388284332.db2.gz DONMXYMSXIVGHZ-UHFFFAOYSA-N 1 1 220.316 2.389 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1oc(CC)nc1C ZINC000491314185 388284334 /nfs/dbraw/zinc/28/43/34/388284334.db2.gz DONMXYMSXIVGHZ-UHFFFAOYSA-N 1 1 220.316 2.389 20 30 BEEDMO C=CCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC000451613777 388284437 /nfs/dbraw/zinc/28/44/37/388284437.db2.gz ZEWOXCAAIGFKSO-NSHDSACASA-N 1 1 213.321 2.128 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000491339645 388286344 /nfs/dbraw/zinc/28/63/44/388286344.db2.gz RHNAKELGVNDPPN-UHFFFAOYSA-N 1 1 225.332 2.062 20 30 BEEDMO COc1ccc2c(c1)C[N@@H+](CCCC#N)CCO2 ZINC000451639906 388287132 /nfs/dbraw/zinc/28/71/32/388287132.db2.gz BUJJSSUBFGKDDB-UHFFFAOYSA-N 1 1 246.310 2.193 20 30 BEEDMO COc1ccc2c(c1)C[N@H+](CCCC#N)CCO2 ZINC000451639906 388287134 /nfs/dbraw/zinc/28/71/34/388287134.db2.gz BUJJSSUBFGKDDB-UHFFFAOYSA-N 1 1 246.310 2.193 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000491362057 388288133 /nfs/dbraw/zinc/28/81/33/388288133.db2.gz PDSNZWDOGBYUED-UHFFFAOYSA-N 1 1 222.719 2.499 20 30 BEEDMO C=CCOCCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451653716 388288412 /nfs/dbraw/zinc/28/84/12/388288412.db2.gz NCEVYPXTINEMJS-CYBMUJFWSA-N 1 1 241.400 2.407 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000491374724 388289653 /nfs/dbraw/zinc/28/96/53/388289653.db2.gz SJPFHWJUJLMXQD-LLVKDONJSA-N 1 1 203.285 2.149 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)c1ccccc1 ZINC000491375978 388290000 /nfs/dbraw/zinc/29/00/00/388290000.db2.gz YGOWRAYJFXYZMT-LBPRGKRZSA-N 1 1 215.296 2.213 20 30 BEEDMO C=CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451719804 388291574 /nfs/dbraw/zinc/29/15/74/388291574.db2.gz XMZKUKIFALYIJU-MGPQQGTHSA-N 1 1 223.360 2.436 20 30 BEEDMO C#CC[N@@H+](CC)CC/C=C\c1cncc(OC)c1 ZINC000491420386 388293436 /nfs/dbraw/zinc/29/34/36/388293436.db2.gz XPUJQTPASPADJS-VURMDHGXSA-N 1 1 244.338 2.449 20 30 BEEDMO C[N@@H+](CC1(C#N)CC1)[C@@H](CO)CC(C)(C)C ZINC000451788413 388296723 /nfs/dbraw/zinc/29/67/23/388296723.db2.gz KWFHOJNDGDDAMS-LLVKDONJSA-N 1 1 224.348 2.019 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000491473620 388296769 /nfs/dbraw/zinc/29/67/69/388296769.db2.gz GCXKBYKRIGURJQ-NSHDSACASA-N 1 1 233.311 2.244 20 30 BEEDMO C#CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000491494183 388298620 /nfs/dbraw/zinc/29/86/20/388298620.db2.gz BAJXZANRZNFZMW-QMMMGPOBSA-N 1 1 206.116 2.135 20 30 BEEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451830336 388299371 /nfs/dbraw/zinc/29/93/71/388299371.db2.gz CKASSBLBLZKYPT-CHWSQXEVSA-N 1 1 239.359 2.078 20 30 BEEDMO C#C[C@@H](NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000491617653 388305030 /nfs/dbraw/zinc/30/50/30/388305030.db2.gz BKPOGCGPGQXRRJ-CQSZACIVSA-N 1 1 236.403 2.497 20 30 BEEDMO C#CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000491651466 388308001 /nfs/dbraw/zinc/30/80/01/388308001.db2.gz GYIHIQNOQPNEPF-GFCCVEGCSA-N 1 1 207.317 2.043 20 30 BEEDMO C#CC[N@H+](Cc1ncccn1)C1CCCCC1 ZINC000491653238 388308068 /nfs/dbraw/zinc/30/80/68/388308068.db2.gz NNEDHSKRHABPHQ-UHFFFAOYSA-N 1 1 229.327 2.245 20 30 BEEDMO C#CC[N@@H+](Cc1ncccn1)C1CCCCC1 ZINC000491653238 388308069 /nfs/dbraw/zinc/30/80/69/388308069.db2.gz NNEDHSKRHABPHQ-UHFFFAOYSA-N 1 1 229.327 2.245 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000491706871 388313218 /nfs/dbraw/zinc/31/32/18/388313218.db2.gz FHTAGPMOPVDIMN-FWPCIQOSSA-N 1 1 244.338 2.447 20 30 BEEDMO C#CC[N@@H+](Cc1snnc1C)C1CCCC1 ZINC000491719208 388314498 /nfs/dbraw/zinc/31/44/98/388314498.db2.gz YBVBGHAEMUXBSN-UHFFFAOYSA-N 1 1 235.356 2.224 20 30 BEEDMO C#CC[N@H+](Cc1snnc1C)C1CCCC1 ZINC000491719208 388314499 /nfs/dbraw/zinc/31/44/99/388314499.db2.gz YBVBGHAEMUXBSN-UHFFFAOYSA-N 1 1 235.356 2.224 20 30 BEEDMO C#CC[N@@H+](CC)CCCc1cc(CC)no1 ZINC000491740202 388316977 /nfs/dbraw/zinc/31/69/77/388316977.db2.gz DOQRYJNOJMKDBC-UHFFFAOYSA-N 1 1 220.316 2.125 20 30 BEEDMO C#CC[N@@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000491742761 388317129 /nfs/dbraw/zinc/31/71/29/388317129.db2.gz TXPHADLJQJEGTO-ZDUSSCGKSA-N 1 1 207.317 2.043 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CC1Cc2ccccc2C1 ZINC000491770090 388319114 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/nfs/dbraw/zinc/32/25/30/388322530.db2.gz VGNRJICBPGUPRT-UHFFFAOYSA-N 1 1 238.375 2.027 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CC(=O)NCCCCCC ZINC000491808103 388322531 /nfs/dbraw/zinc/32/25/31/388322531.db2.gz VGNRJICBPGUPRT-UHFFFAOYSA-N 1 1 238.375 2.027 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000491814321 388323327 /nfs/dbraw/zinc/32/33/27/388323327.db2.gz JPTAJQBMSXUTDU-LLVKDONJSA-N 1 1 215.296 2.075 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCCCCC(=O)OCC ZINC000491821278 388324144 /nfs/dbraw/zinc/32/41/44/388324144.db2.gz VANIXPKLYAVDPB-UHFFFAOYSA-N 1 1 239.359 2.454 20 30 BEEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360092 388265041 /nfs/dbraw/zinc/26/50/41/388265041.db2.gz KJSFJQGXSJGQJO-QPSCCSFWSA-N 1 1 233.355 2.333 20 30 BEEDMO C[C@@]12C[N@@H+](CCOCCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451362153 388265306 /nfs/dbraw/zinc/26/53/06/388265306.db2.gz OUEWOKHQUQLLKJ-BARDWOONSA-N 1 1 246.354 2.061 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000491037085 388266735 /nfs/dbraw/zinc/26/67/35/388266735.db2.gz BPGDAZVDBITRFP-DTWKUNHWSA-N 1 1 205.223 2.282 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000491071008 388268013 /nfs/dbraw/zinc/26/80/13/388268013.db2.gz HATCMWPRGYHMTA-NSHDSACASA-N 1 1 231.343 2.228 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000491071008 388268015 /nfs/dbraw/zinc/26/80/15/388268015.db2.gz HATCMWPRGYHMTA-NSHDSACASA-N 1 1 231.343 2.228 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000491164338 388273596 /nfs/dbraw/zinc/27/35/96/388273596.db2.gz AUPGYZJLRLHUKW-UHFFFAOYSA-N 1 1 248.370 2.431 20 30 BEEDMO CCO[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000451544948 388280579 /nfs/dbraw/zinc/28/05/79/388280579.db2.gz QLQQGHIZSRNWOM-CHWSQXEVSA-N 1 1 236.359 2.427 20 30 BEEDMO CC(C)[C@H]([NH3+])CCNCc1cccc(C#N)c1 ZINC000596110777 388404130 /nfs/dbraw/zinc/40/41/30/388404130.db2.gz ULDXVNPMPLKLTB-CQSZACIVSA-N 1 1 231.343 2.021 20 30 BEEDMO Cc1cc(CNC[C@H](C)C[NH+](C)C)ccc1C#N ZINC000491595807 388350021 /nfs/dbraw/zinc/35/00/21/388350021.db2.gz DPOASOBNCQNJCF-LBPRGKRZSA-N 1 1 245.370 2.154 20 30 BEEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccn(C)n1 ZINC000459744354 388367122 /nfs/dbraw/zinc/36/71/22/388367122.db2.gz HRIFEHQIQNMRIZ-NSHDSACASA-N 1 1 240.310 2.143 20 30 BEEDMO N#Cc1csc(C[NH2+]Cc2nccs2)c1 ZINC000086500197 388367854 /nfs/dbraw/zinc/36/78/54/388367854.db2.gz XCGBTZUOLYYFMN-UHFFFAOYSA-N 1 1 235.337 2.366 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1O ZINC000089883021 388370132 /nfs/dbraw/zinc/37/01/32/388370132.db2.gz MNDMZKITVXWZLG-GJZGRUSLSA-N 1 1 244.338 2.294 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C#N)cn1 ZINC000227920411 388373404 /nfs/dbraw/zinc/37/34/04/388373404.db2.gz BCWWOFPLJBOBKB-LLVKDONJSA-N 1 1 232.331 2.095 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1c1cccc(F)c1C#N ZINC000549253427 388380955 /nfs/dbraw/zinc/38/09/55/388380955.db2.gz VIQFANHYVCDAAY-NSHDSACASA-N 1 1 247.317 2.228 20 30 BEEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H]1C ZINC000595506106 388387943 /nfs/dbraw/zinc/38/79/43/388387943.db2.gz ZKIBCBHGHRRQFQ-RYUDHWBXSA-N 1 1 214.312 2.441 20 30 BEEDMO C=C[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314745235 256680072 /nfs/dbraw/zinc/68/00/72/256680072.db2.gz XFNQUXYBZPBBJL-HTQZYQBOSA-N 1 1 240.328 2.155 20 30 BEEDMO C#C[C@@H](NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000393785472 388441742 /nfs/dbraw/zinc/44/17/42/388441742.db2.gz XHDNHQCICDORRB-CYBMUJFWSA-N 1 1 222.376 2.108 20 30 BEEDMO C#CC[N@H+](Cc1cccc(OC)n1)C1CCCC1 ZINC000176379712 388452449 /nfs/dbraw/zinc/45/24/49/388452449.db2.gz VTFPUUMJXUDDTC-UHFFFAOYSA-N 1 1 244.338 2.468 20 30 BEEDMO C#CCN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000309652547 388460826 /nfs/dbraw/zinc/46/08/26/388460826.db2.gz OPAFYLGBIAAKFZ-ZIAGYGMSSA-N 1 1 222.376 2.110 20 30 BEEDMO C#CCN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000309652545 388460886 /nfs/dbraw/zinc/46/08/86/388460886.db2.gz OPAFYLGBIAAKFZ-UONOGXRCSA-N 1 1 222.376 2.110 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1cccc(OC)c1 ZINC000649236556 388465293 /nfs/dbraw/zinc/46/52/93/388465293.db2.gz XXGOYXGGYPOYPQ-CQSZACIVSA-N 1 1 235.327 2.064 20 30 BEEDMO CO[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000170819495 388469176 /nfs/dbraw/zinc/46/91/76/388469176.db2.gz MXEVQFNFUKIGPZ-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000170819495 388469180 /nfs/dbraw/zinc/46/91/80/388469180.db2.gz MXEVQFNFUKIGPZ-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO N#CCC[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000573083882 388418961 /nfs/dbraw/zinc/41/89/61/388418961.db2.gz HLTXRYSGUMIUST-UHFFFAOYSA-N 1 1 244.342 2.075 20 30 BEEDMO COC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000307765150 388425347 /nfs/dbraw/zinc/42/53/47/388425347.db2.gz PDPCOKJKMRDAKM-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCC1 ZINC000173616078 388426337 /nfs/dbraw/zinc/42/63/37/388426337.db2.gz SVWYYIDYBSRTHQ-UHFFFAOYSA-N 1 1 249.339 2.043 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H]1C ZINC000245710179 388428784 /nfs/dbraw/zinc/42/87/84/388428784.db2.gz CHMPRNVVSJHUMM-ZJUUUORDSA-N 1 1 204.273 2.382 20 30 BEEDMO CC[N@@H+](C[C@@H](C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000245910499 388433484 /nfs/dbraw/zinc/43/34/84/388433484.db2.gz VNUWJRGDNKWOLX-VXGBXAGGSA-N 1 1 232.327 2.322 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000649286690 388541695 /nfs/dbraw/zinc/54/16/95/388541695.db2.gz IWZFCIRPUBATFH-ZDUSSCGKSA-N 1 1 211.349 2.437 20 30 BEEDMO C[N@@H+](CCC1CC1)C[C@H](C#N)CCC#N ZINC000135248771 388486912 /nfs/dbraw/zinc/48/69/12/388486912.db2.gz WZNUUTOMOHRMOQ-LBPRGKRZSA-N 1 1 205.305 2.162 20 30 BEEDMO CC[C@@]1(C)C[N@@H+](CCCCC#N)CCO1 ZINC000135589928 388501286 /nfs/dbraw/zinc/50/12/86/388501286.db2.gz QJACIAUXUMEYQW-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178512856 388501791 /nfs/dbraw/zinc/50/17/91/388501791.db2.gz BWLFMPYDXQEHTN-NSHDSACASA-N 1 1 225.332 2.226 20 30 BEEDMO CC[C@@]1(C)C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000135699898 388505608 /nfs/dbraw/zinc/50/56/08/388505608.db2.gz CFCHCBAMILNAPB-ZDUSSCGKSA-N 1 1 224.348 2.427 20 30 BEEDMO CC[C@@]1(C)CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528406916 388520571 /nfs/dbraw/zinc/52/05/71/388520571.db2.gz UJGYQKSLOBSATM-STQMWFEESA-N 1 1 236.359 2.163 20 30 BEEDMO C=CC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528466691 388529952 /nfs/dbraw/zinc/52/99/52/388529952.db2.gz VTHFLCQBBYKWJM-CYBMUJFWSA-N 1 1 236.359 2.038 20 30 BEEDMO N#CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179734777 388529968 /nfs/dbraw/zinc/52/99/68/388529968.db2.gz NHXJFZJIIITKME-UHFFFAOYSA-N 1 1 240.310 2.070 20 30 BEEDMO CC1=C(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528490134 388531319 /nfs/dbraw/zinc/53/13/19/388531319.db2.gz SNMJQAIWLUJZCQ-ZDUSSCGKSA-N 1 1 234.343 2.083 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000550127933 388599732 /nfs/dbraw/zinc/59/97/32/388599732.db2.gz OYHJEFLMSMMNKS-ZDUSSCGKSA-N 1 1 221.344 2.433 20 30 BEEDMO CCC[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000296196545 388601163 /nfs/dbraw/zinc/60/11/63/388601163.db2.gz BTKZHLMCFYPCCE-CQSZACIVSA-N 1 1 232.327 2.151 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000245762710 388603614 /nfs/dbraw/zinc/60/36/14/388603614.db2.gz IWYOMTPDULXIQV-NWDGAFQWSA-N 1 1 226.364 2.045 20 30 BEEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000550453724 388608956 /nfs/dbraw/zinc/60/89/56/388608956.db2.gz GCFYFVGQTXCLLK-GFCCVEGCSA-N 1 1 238.375 2.047 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCC[C@H]1O ZINC000246084392 388615709 /nfs/dbraw/zinc/61/57/09/388615709.db2.gz CDDYHBRVIDGCPL-CHWSQXEVSA-N 1 1 238.375 2.409 20 30 BEEDMO C=CCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787836 388573544 /nfs/dbraw/zinc/57/35/44/388573544.db2.gz IBDUCASSFGWJGV-LBPRGKRZSA-N 1 1 233.315 2.285 20 30 BEEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787056 388573685 /nfs/dbraw/zinc/57/36/85/388573685.db2.gz FCCNFTNYBAWSEE-GFCCVEGCSA-N 1 1 246.314 2.013 20 30 BEEDMO COc1ccc([C@@H]([NH2+]CCC#N)C2CC2)cn1 ZINC000528847507 388578440 /nfs/dbraw/zinc/57/84/40/388578440.db2.gz MNQPVUNAUHUVKN-ZDUSSCGKSA-N 1 1 231.299 2.045 20 30 BEEDMO C=C(C)C[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185236824 388585386 /nfs/dbraw/zinc/58/53/86/388585386.db2.gz ROFWJKXWDXPUAY-HNNXBMFYSA-N 1 1 229.389 2.186 20 30 BEEDMO C=C(C)C[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000185236824 388585388 /nfs/dbraw/zinc/58/53/88/388585388.db2.gz ROFWJKXWDXPUAY-HNNXBMFYSA-N 1 1 229.389 2.186 20 30 BEEDMO CSCC[C@@H](C)[N@@H+](C)CCCC#N ZINC000124822456 388665288 /nfs/dbraw/zinc/66/52/88/388665288.db2.gz RBKJZENAULPPKW-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO Cc1cc(C[N@@H+](C)CC2CC(O)C2)ccc1C#N ZINC000488987546 388665492 /nfs/dbraw/zinc/66/54/92/388665492.db2.gz WXEFXGHOSKGFBC-UHFFFAOYSA-N 1 1 244.338 2.069 20 30 BEEDMO CSCC[C@H](C)[N@@H+](C)CCCC#N ZINC000124822254 388665878 /nfs/dbraw/zinc/66/58/78/388665878.db2.gz RBKJZENAULPPKW-JTQLQIEISA-N 1 1 200.351 2.364 20 30 BEEDMO COC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000112987562 388671227 /nfs/dbraw/zinc/67/12/27/388671227.db2.gz FKGGIQKDAFNPTL-OAHLLOKOSA-N 1 1 244.338 2.417 20 30 BEEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000418124234 388674539 /nfs/dbraw/zinc/67/45/39/388674539.db2.gz MCXSMBUQNWJVFI-UTUOFQBUSA-N 1 1 231.343 2.373 20 30 BEEDMO C=CC[C@H](C)[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179155 388621518 /nfs/dbraw/zinc/62/15/18/388621518.db2.gz QEYNECKHBCLJMT-YNEHKIRRSA-N 1 1 222.376 2.461 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000302610143 388623198 /nfs/dbraw/zinc/62/31/98/388623198.db2.gz NCXYOPULYWUCEI-SNVBAGLBSA-N 1 1 236.290 2.164 20 30 BEEDMO CC[N@@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358577850 388624447 /nfs/dbraw/zinc/62/44/47/388624447.db2.gz VKMAETGAHTZOFK-LLVKDONJSA-N 1 1 249.333 2.300 20 30 BEEDMO CCN(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358577850 388624450 /nfs/dbraw/zinc/62/44/50/388624450.db2.gz VKMAETGAHTZOFK-LLVKDONJSA-N 1 1 249.333 2.300 20 30 BEEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000551720278 388638014 /nfs/dbraw/zinc/63/80/14/388638014.db2.gz RHKDEDSOZYISES-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C[N@@H+](CCCCCO)Cc1cccc(C#N)c1 ZINC000061804113 388644873 /nfs/dbraw/zinc/64/48/73/388644873.db2.gz IVPCQBYDILSAQU-UHFFFAOYSA-N 1 1 232.327 2.153 20 30 BEEDMO CCN(CC)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000075757035 388661770 /nfs/dbraw/zinc/66/17/70/388661770.db2.gz RAVNYVSOYZGNHP-ZDUSSCGKSA-N 1 1 245.370 2.378 20 30 BEEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093500362 388743908 /nfs/dbraw/zinc/74/39/08/388743908.db2.gz WSPJNPLNNFGNAG-ZJUUUORDSA-N 1 1 236.340 2.477 20 30 BEEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093500362 388743909 /nfs/dbraw/zinc/74/39/09/388743909.db2.gz WSPJNPLNNFGNAG-ZJUUUORDSA-N 1 1 236.340 2.477 20 30 BEEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093838907 388746314 /nfs/dbraw/zinc/74/63/14/388746314.db2.gz ZVEWUKXTTYGKMB-NSHDSACASA-N 1 1 234.299 2.010 20 30 BEEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093760986 388746646 /nfs/dbraw/zinc/74/66/46/388746646.db2.gz LIOYCDMETXQEDA-SNVBAGLBSA-N 1 1 236.340 2.479 20 30 BEEDMO C#CC[N@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194984325 388747768 /nfs/dbraw/zinc/74/77/68/388747768.db2.gz WHJAKYOPEBNDNW-NSHDSACASA-N 1 1 203.285 2.321 20 30 BEEDMO C=C(C)C[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128313270 388748479 /nfs/dbraw/zinc/74/84/79/388748479.db2.gz MHLJIUFRSLINOC-SNVBAGLBSA-N 1 1 236.281 2.131 20 30 BEEDMO C=C(C)C[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000128313270 388748482 /nfs/dbraw/zinc/74/84/82/388748482.db2.gz MHLJIUFRSLINOC-SNVBAGLBSA-N 1 1 236.281 2.131 20 30 BEEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000449377205 388748609 /nfs/dbraw/zinc/74/86/09/388748609.db2.gz RXYOKSASRFIGIA-AWEZNQCLSA-N 1 1 232.327 2.069 20 30 BEEDMO CC[C@H](NC1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000423177937 388687696 /nfs/dbraw/zinc/68/76/96/388687696.db2.gz FGISGDXBVVLOLZ-HNNXBMFYSA-N 1 1 243.354 2.351 20 30 BEEDMO CC[N@@H+](CCCSC)C[C@H](C)C#N ZINC000126120964 388688650 /nfs/dbraw/zinc/68/86/50/388688650.db2.gz HYTRVEDATHLVTR-SNVBAGLBSA-N 1 1 200.351 2.221 20 30 BEEDMO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000423270375 388689607 /nfs/dbraw/zinc/68/96/07/388689607.db2.gz HZQFYCFUOHUEDX-VXGBXAGGSA-N 1 1 231.343 2.064 20 30 BEEDMO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423271241 388690282 /nfs/dbraw/zinc/69/02/82/388690282.db2.gz ITHOJFKLMHYKQI-MNOVXSKESA-N 1 1 249.333 2.203 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CCC23CCOCC3)s1 ZINC000370081899 388691780 /nfs/dbraw/zinc/69/17/80/388691780.db2.gz KPNLTMSXYJKRFM-UHFFFAOYSA-N 1 1 248.351 2.375 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000248823757 388694733 /nfs/dbraw/zinc/69/47/33/388694733.db2.gz YUBPFISSJPNNIZ-CHWSQXEVSA-N 1 1 238.375 2.319 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000249036263 388704241 /nfs/dbraw/zinc/70/42/41/388704241.db2.gz MRVKCTGEJUOQTH-RYUDHWBXSA-N 1 1 229.389 2.141 20 30 BEEDMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)n[nH]1 ZINC000249046276 388705421 /nfs/dbraw/zinc/70/54/21/388705421.db2.gz WGAJRCKXKADZPH-CYZMBNFOSA-N 1 1 246.358 2.321 20 30 BEEDMO CC[N@H+](CCOC(C)(C)C)C[C@@H](C)C#N ZINC000065951307 388707005 /nfs/dbraw/zinc/70/70/05/388707005.db2.gz GERORURDKWJNGV-NSHDSACASA-N 1 1 212.337 2.283 20 30 BEEDMO CC[N@@H+](CCOC(C)(C)C)C[C@@H](C)C#N ZINC000065951307 388707008 /nfs/dbraw/zinc/70/70/08/388707008.db2.gz GERORURDKWJNGV-NSHDSACASA-N 1 1 212.337 2.283 20 30 BEEDMO C=CCCCCC[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000193545106 388707986 /nfs/dbraw/zinc/70/79/86/388707986.db2.gz JBLVPDFJJHYTSN-IUODEOHRSA-N 1 1 231.405 2.432 20 30 BEEDMO C=C(C)C[N@@H+](C)Cc1cccnc1OC ZINC000193540144 388708331 /nfs/dbraw/zinc/70/83/31/388708331.db2.gz SPBMTOFICIENOR-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cccnc1OC ZINC000193540144 388708334 /nfs/dbraw/zinc/70/83/34/388708334.db2.gz SPBMTOFICIENOR-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO C=CCOc1ccccc1C[N@H+](C)CCOC ZINC000127134213 388715919 /nfs/dbraw/zinc/71/59/19/388715919.db2.gz LUKPYBUHPGIJOS-UHFFFAOYSA-N 1 1 235.327 2.330 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CCC23CCOCC3)c1 ZINC000376494934 388722982 /nfs/dbraw/zinc/72/29/82/388722982.db2.gz JTBXAGIQHBYDBB-UHFFFAOYSA-N 1 1 242.322 2.313 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000229892093 388802597 /nfs/dbraw/zinc/80/25/97/388802597.db2.gz LIGPKCWMUPUCPM-ZDUSSCGKSA-N 1 1 239.322 2.374 20 30 BEEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000539453394 388760725 /nfs/dbraw/zinc/76/07/25/388760725.db2.gz MGOKPINBISIOCR-CYBMUJFWSA-N 1 1 244.338 2.173 20 30 BEEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000539453394 388760727 /nfs/dbraw/zinc/76/07/27/388760727.db2.gz MGOKPINBISIOCR-CYBMUJFWSA-N 1 1 244.338 2.173 20 30 BEEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000282309724 388814705 /nfs/dbraw/zinc/81/47/05/388814705.db2.gz MWPFUPNVAZAVEN-MNOVXSKESA-N 1 1 234.299 2.151 20 30 BEEDMO 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C#CCOc1ccccc1C[N@@H+](C)CC#CC ZINC000741783511 585118586 /nfs/dbraw/zinc/11/85/86/585118586.db2.gz BBNDKRKCYHWMKN-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO C#CCOc1ccccc1C[N@H+](C)CC#CC ZINC000741783511 585118587 /nfs/dbraw/zinc/11/85/87/585118587.db2.gz BBNDKRKCYHWMKN-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000886364115 585134411 /nfs/dbraw/zinc/13/44/11/585134411.db2.gz PEENYMJONAAFPV-CABCVRRESA-N 1 1 235.371 2.273 20 30 BEEDMO C#CC[C@H]1CC[N@H+](CCSC(C)C)C1 ZINC000886364110 585134578 /nfs/dbraw/zinc/13/45/78/585134578.db2.gz OUYPFZAYUIXPLK-LBPRGKRZSA-N 1 1 211.374 2.473 20 30 BEEDMO C#CC[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000886364116 585134588 /nfs/dbraw/zinc/13/45/88/585134588.db2.gz PEENYMJONAAFPV-GJZGRUSLSA-N 1 1 235.371 2.273 20 30 BEEDMO CC(Cc1ccccc1C)=NN1CC[NH+](C)CC1 ZINC000743418170 585136405 /nfs/dbraw/zinc/13/64/05/585136405.db2.gz WEMCBMCYVOVENG-UHFFFAOYSA-N 1 1 245.370 2.161 20 30 BEEDMO C[C@H]1CC(=NN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000747735545 585182987 /nfs/dbraw/zinc/18/29/87/585182987.db2.gz AWTKXBWIMJJRDM-VXGBXAGGSA-N 1 1 223.364 2.046 20 30 BEEDMO C[NH+]1CCN(N=C/C=C/c2ccc(F)cc2)CC1 ZINC000747736246 585183056 /nfs/dbraw/zinc/18/30/56/585183056.db2.gz NTXYLQOTUNRAMW-YWNVTICHSA-N 1 1 247.317 2.072 20 30 BEEDMO CCC[C@H](C)C(CC)=NN1CC[NH+](C)CC1 ZINC000748245630 585189606 /nfs/dbraw/zinc/18/96/06/585189606.db2.gz CIWSSGPSUJTVRX-LBPRGKRZSA-N 1 1 225.380 2.436 20 30 BEEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC#N ZINC000809575000 585217708 /nfs/dbraw/zinc/21/77/08/585217708.db2.gz VCKASLIGXBQPSY-HUUCEWRRSA-N 1 1 246.354 2.214 20 30 BEEDMO Cc1cc(F)ccc1N=NC1C[N@H+](C)C[C@H]1C ZINC000750938742 585222587 /nfs/dbraw/zinc/22/25/87/585222587.db2.gz NJXCAPXOPFPLKY-SNVBAGLBSA-N 1 1 235.306 2.484 20 30 BEEDMO COc1ccc(N[NH+]=Cc2cccnc2N)cc1 ZINC000750945080 585222686 /nfs/dbraw/zinc/22/26/86/585222686.db2.gz DLRZXCBLMDSPJD-UHFFFAOYSA-N 1 1 242.282 2.118 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccccc1 ZINC000752157410 585242825 /nfs/dbraw/zinc/24/28/25/585242825.db2.gz NTIKLGCBYUDNOJ-JTQLQIEISA-N 1 1 203.289 2.036 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(F)cc1 ZINC000752155589 585242954 /nfs/dbraw/zinc/24/29/54/585242954.db2.gz RGXJUWDXOSZXGM-VIFPVBQESA-N 1 1 221.279 2.175 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(F)cc1 ZINC000752155572 585243010 /nfs/dbraw/zinc/24/30/10/585243010.db2.gz RGXJUWDXOSZXGM-SECBINFHSA-N 1 1 221.279 2.175 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1=NOCc1ccccc1 ZINC000752161359 585243181 /nfs/dbraw/zinc/24/31/81/585243181.db2.gz RSJCYEJUYZSCIG-NSHDSACASA-N 1 1 218.300 2.141 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cccc(F)c1F ZINC000752164767 585243429 /nfs/dbraw/zinc/24/34/29/585243429.db2.gz BIHJQXXPDSZPFR-MRVPVSSYSA-N 1 1 239.269 2.314 20 30 BEEDMO C[C@H](C#N)C[N@@H+](CCCCCCO)C1CC1 ZINC000754369607 585283168 /nfs/dbraw/zinc/28/31/68/585283168.db2.gz VPUUZJYXPVJMCU-GFCCVEGCSA-N 1 1 224.348 2.163 20 30 BEEDMO C#CCCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000754731154 585290087 /nfs/dbraw/zinc/29/00/87/585290087.db2.gz MCCJFPMMGZAXAR-LBPRGKRZSA-N 1 1 239.359 2.356 20 30 BEEDMO C#CCCC[NH2+][C@H](C(=O)OC)C1CCCCC1 ZINC000755133383 585295300 /nfs/dbraw/zinc/29/53/00/585295300.db2.gz XDBNSYOHDGVERE-ZDUSSCGKSA-N 1 1 237.343 2.111 20 30 BEEDMO C[NH+]1CCN(N=C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000755464941 585299918 /nfs/dbraw/zinc/29/99/18/585299918.db2.gz CWDZDPAKBNHMQA-GJZGRUSLSA-N 1 1 243.354 2.023 20 30 BEEDMO C[NH+]1CCN(N=C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000755464946 585300065 /nfs/dbraw/zinc/30/00/65/585300065.db2.gz CWDZDPAKBNHMQA-LSDHHAIUSA-N 1 1 243.354 2.023 20 30 BEEDMO CC(C)[N@@H+]1CC(=NO[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000755821140 585308218 /nfs/dbraw/zinc/30/82/18/585308218.db2.gz BLXMJUJTCWYJJQ-WCQYABFASA-N 1 1 240.347 2.246 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C/C(C)(C)C ZINC000756551615 585320686 /nfs/dbraw/zinc/32/06/86/585320686.db2.gz OTCQFARLTVYNIU-MMQHEFTJSA-N 1 1 249.354 2.230 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)CCC ZINC000756552811 585320865 /nfs/dbraw/zinc/32/08/65/585320865.db2.gz KMXKNQLWPPCTPA-CHWSQXEVSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCC1CCC1 ZINC000756553699 585321053 /nfs/dbraw/zinc/32/10/53/585321053.db2.gz VDJAOESRMLJXLN-AWEZNQCLSA-N 1 1 249.354 2.208 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC1CCCC1 ZINC000756546700 585321062 /nfs/dbraw/zinc/32/10/62/585321062.db2.gz FORDGAVBGDHCPL-AWEZNQCLSA-N 1 1 249.354 2.208 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCSC[C@H](C)C1 ZINC000839578078 585330993 /nfs/dbraw/zinc/33/09/93/585330993.db2.gz AISPHANVAQMDCZ-MRVPVSSYSA-N 1 1 205.754 2.424 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@]1(CO)CCC ZINC000839584482 585331106 /nfs/dbraw/zinc/33/11/06/585331106.db2.gz UPWUHSWPURTQNZ-LLVKDONJSA-N 1 1 217.740 2.366 20 30 BEEDMO C#CCCO[NH+]=C(N)CCc1ccccc1 ZINC000760351387 585390943 /nfs/dbraw/zinc/39/09/43/585390943.db2.gz QEWQZHCAFMYPRL-UHFFFAOYSA-N 1 1 216.284 2.141 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccn1)C(C)C ZINC000760816491 585397843 /nfs/dbraw/zinc/39/78/43/585397843.db2.gz GJFXULLMRCYGJY-UHFFFAOYSA-N 1 1 202.301 2.315 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000760819757 585398002 /nfs/dbraw/zinc/39/80/02/585398002.db2.gz VSHLDLQOKFXSOY-LLVKDONJSA-N 1 1 204.273 2.143 20 30 BEEDMO C#CCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000760815431 585398014 /nfs/dbraw/zinc/39/80/14/585398014.db2.gz AWEGPCDNUYSBAH-GASCZTMLSA-N 1 1 240.350 2.078 20 30 BEEDMO C#CCC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000760830186 585398182 /nfs/dbraw/zinc/39/81/82/585398182.db2.gz KYENHZXHRQWEFV-UHFFFAOYSA-N 1 1 229.323 2.467 20 30 BEEDMO C#CCC[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000760847704 585399846 /nfs/dbraw/zinc/39/98/46/585399846.db2.gz ORMDPMZGIQRCNF-LBPRGKRZSA-N 1 1 217.312 2.278 20 30 BEEDMO C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C ZINC000761795073 585418716 /nfs/dbraw/zinc/41/87/16/585418716.db2.gz WGFPRDYTFBWHPO-VIFPVBQESA-N 1 1 248.286 2.087 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC000761792506 585418742 /nfs/dbraw/zinc/41/87/42/585418742.db2.gz LGBDKNUXCGYCLR-SECBINFHSA-N 1 1 248.286 2.087 20 30 BEEDMO C[C@@H]1CC(N=Nc2cccc(C#N)c2)C[N@H+]1C ZINC000761803381 585418833 /nfs/dbraw/zinc/41/88/33/585418833.db2.gz AKXVKELWMUKPCD-SNVBAGLBSA-N 1 1 228.299 2.050 20 30 BEEDMO C[C@@H]1CC(N=Nc2cccc(F)c2)C[N@H+]1C ZINC000761811809 585419303 /nfs/dbraw/zinc/41/93/03/585419303.db2.gz IPSLFXKDXAREGY-SECBINFHSA-N 1 1 221.279 2.318 20 30 BEEDMO C=CCCC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000762585233 585434164 /nfs/dbraw/zinc/43/41/64/585434164.db2.gz XDVWWJSBSWIEOU-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1c(O)cccc1OC ZINC000762795414 585437278 /nfs/dbraw/zinc/43/72/78/585437278.db2.gz WFWWNDZKBYJNEI-SNVBAGLBSA-N 1 1 234.299 2.183 20 30 BEEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000763396757 585447552 /nfs/dbraw/zinc/44/75/52/585447552.db2.gz FBKBRXFGPOFZOC-OAHLLOKOSA-N 1 1 244.338 2.488 20 30 BEEDMO c1ccc(CNN=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765562813 585489780 /nfs/dbraw/zinc/48/97/80/585489780.db2.gz JRVDTFGDKVFMIK-AWEZNQCLSA-N 1 1 229.327 2.000 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000766665556 585504670 /nfs/dbraw/zinc/50/46/70/585504670.db2.gz ITWSAIVSIGMSHC-VIFPVBQESA-N 1 1 249.264 2.226 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000766666578 585505071 /nfs/dbraw/zinc/50/50/71/585505071.db2.gz WQEKUPCZWWNLAI-LLVKDONJSA-N 1 1 233.311 2.163 20 30 BEEDMO C#CCCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000766894234 585509280 /nfs/dbraw/zinc/50/92/80/585509280.db2.gz ASHFTXUNBHSSDX-ZDUSSCGKSA-N 1 1 223.360 2.415 20 30 BEEDMO C#CCCC[N@H+](C)CCN(C)c1ccccc1 ZINC000766900214 585509880 /nfs/dbraw/zinc/50/98/80/585509880.db2.gz JROLGJPDTYLWJX-UHFFFAOYSA-N 1 1 230.355 2.468 20 30 BEEDMO C#CCCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000766900440 585510178 /nfs/dbraw/zinc/51/01/78/585510178.db2.gz DILJQBWHSATWJB-GFCCVEGCSA-N 1 1 203.285 2.482 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000766930256 585512055 /nfs/dbraw/zinc/51/20/55/585512055.db2.gz DBFJKYZUEZUUHS-CYBMUJFWSA-N 1 1 231.343 2.143 20 30 BEEDMO C[N@@H+](CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767358400 585517976 /nfs/dbraw/zinc/51/79/76/585517976.db2.gz FVEVLUMMNKFENO-UHFFFAOYSA-N 1 1 242.322 2.359 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000767831326 585526552 /nfs/dbraw/zinc/52/65/52/585526552.db2.gz QEWZVPIPJLLPBN-HNNXBMFYSA-N 1 1 231.339 2.283 20 30 BEEDMO C#CCCCSCCn1cc[nH+]c1C ZINC000767952900 585528803 /nfs/dbraw/zinc/52/88/03/585528803.db2.gz FNZANMJZXVWPPK-UHFFFAOYSA-N 1 1 208.330 2.338 20 30 BEEDMO CCOc1ccc(O)c(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000768878785 585545315 /nfs/dbraw/zinc/54/53/15/585545315.db2.gz ROQPKDQVKICKLP-LLVKDONJSA-N 1 1 248.326 2.382 20 30 BEEDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000768878785 585545316 /nfs/dbraw/zinc/54/53/16/585545316.db2.gz ROQPKDQVKICKLP-LLVKDONJSA-N 1 1 248.326 2.382 20 30 BEEDMO CCOc1ccc(C[N@H+](C)C[C@H](C)C#N)c(O)c1 ZINC000768876630 585545478 /nfs/dbraw/zinc/54/54/78/585545478.db2.gz FHLVIHXMXGHIMG-LLVKDONJSA-N 1 1 248.326 2.382 20 30 BEEDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(O)c1 ZINC000768876630 585545479 /nfs/dbraw/zinc/54/54/79/585545479.db2.gz FHLVIHXMXGHIMG-LLVKDONJSA-N 1 1 248.326 2.382 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc2c(c1)COC2 ZINC000769111513 585549411 /nfs/dbraw/zinc/54/94/11/585549411.db2.gz QBFYSSFQHCTQIS-UHFFFAOYSA-N 1 1 215.296 2.172 20 30 BEEDMO CC(C)OCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000769531500 585558809 /nfs/dbraw/zinc/55/88/09/585558809.db2.gz BXTDIRLJMGNQSS-UHFFFAOYSA-N 1 1 238.356 2.477 20 30 BEEDMO C=CC[N@H+](CCO[C@@H]1CCCCO1)C(C)C ZINC000769711761 585562317 /nfs/dbraw/zinc/56/23/17/585562317.db2.gz XVOYHNUPRSNKJJ-CYBMUJFWSA-N 1 1 227.348 2.426 20 30 BEEDMO C#CC[N@H+](C)CCc1ccccc1CC ZINC000769800069 585563847 /nfs/dbraw/zinc/56/38/47/585563847.db2.gz JHYHFJIZETZBPW-UHFFFAOYSA-N 1 1 201.313 2.357 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000769960641 585567444 /nfs/dbraw/zinc/56/74/44/585567444.db2.gz GADGRKWTIHBLBQ-ZDUSSCGKSA-N 1 1 242.322 2.281 20 30 BEEDMO C[N@H+]1CCCC(=NOC2CCCC2)CC1 ZINC000774603112 585661870 /nfs/dbraw/zinc/66/18/70/585661870.db2.gz MGLQCNDRUDRKDR-UHFFFAOYSA-N 1 1 210.321 2.417 20 30 BEEDMO C[C@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000775567384 585679792 /nfs/dbraw/zinc/67/97/92/585679792.db2.gz HCCPEDUZBXTJIM-LBPRGKRZSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000775567383 585679860 /nfs/dbraw/zinc/67/98/60/585679860.db2.gz HCCPEDUZBXTJIM-GFCCVEGCSA-N 1 1 230.311 2.169 20 30 BEEDMO C=C(C)CC[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000775578334 585680932 /nfs/dbraw/zinc/68/09/32/585680932.db2.gz VMHLXXHTWBTYEO-UHFFFAOYSA-N 1 1 232.327 2.184 20 30 BEEDMO C[N@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000775981632 585688678 /nfs/dbraw/zinc/68/86/78/585688678.db2.gz HYFGKVWNHPAPNX-UHFFFAOYSA-N 1 1 216.284 2.128 20 30 BEEDMO C[N@@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000775981632 585688679 /nfs/dbraw/zinc/68/86/79/585688679.db2.gz HYFGKVWNHPAPNX-UHFFFAOYSA-N 1 1 216.284 2.128 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCOCC[C@H]1C ZINC000776798701 585705594 /nfs/dbraw/zinc/70/55/94/585705594.db2.gz MQQNHGQFMJSINI-CYBMUJFWSA-N 1 1 244.338 2.478 20 30 BEEDMO C[N@H+]1CCCC(=NOCCC(F)(F)F)CC1 ZINC000777460609 585713135 /nfs/dbraw/zinc/71/31/35/585713135.db2.gz QJHALLNUGODSSL-UHFFFAOYSA-N 1 1 238.253 2.427 20 30 BEEDMO C=C(C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC000778121379 585725886 /nfs/dbraw/zinc/72/58/86/585725886.db2.gz JUFMWGYEBSPYCZ-UHFFFAOYSA-N 1 1 235.331 2.006 20 30 BEEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000778230140 585728475 /nfs/dbraw/zinc/72/84/75/585728475.db2.gz DZXUBQNKUOWZKP-ZDUSSCGKSA-N 1 1 223.291 2.367 20 30 BEEDMO C#C[C@@H](C)OC(=O)C[N@@H+](C)CCCCCC ZINC000778652228 585738610 /nfs/dbraw/zinc/73/86/10/585738610.db2.gz KAOYFGFMNBZUBD-GFCCVEGCSA-N 1 1 225.332 2.063 20 30 BEEDMO C#C[C@@H](C)OC(=O)C[N@H+](C)CCCCCC ZINC000778652228 585738611 /nfs/dbraw/zinc/73/86/11/585738611.db2.gz KAOYFGFMNBZUBD-GFCCVEGCSA-N 1 1 225.332 2.063 20 30 BEEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H](C#N)CC ZINC000778666050 585738731 /nfs/dbraw/zinc/73/87/31/585738731.db2.gz BXMONYYBNAZSGT-GFCCVEGCSA-N 1 1 240.347 2.344 20 30 BEEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H](C#N)CC ZINC000778666050 585738732 /nfs/dbraw/zinc/73/87/32/585738732.db2.gz BXMONYYBNAZSGT-GFCCVEGCSA-N 1 1 240.347 2.344 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1scnc1C ZINC000779807218 585765185 /nfs/dbraw/zinc/76/51/85/585765185.db2.gz PIAWIZCZQQPAQV-UHFFFAOYSA-N 1 1 232.312 2.105 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C#N)cc1 ZINC000779808328 585765249 /nfs/dbraw/zinc/76/52/49/585765249.db2.gz IKQXLYFNJIWBFY-UHFFFAOYSA-N 1 1 236.278 2.211 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1csc(C2CC2)n1 ZINC000779808346 585765320 /nfs/dbraw/zinc/76/53/20/585765320.db2.gz JDWYCLADPREQAZ-UHFFFAOYSA-N 1 1 244.323 2.283 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccccc1 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587519764 /nfs/dbraw/zinc/51/97/64/587519764.db2.gz QAUWXBCUZHRTHI-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000829821035 587520253 /nfs/dbraw/zinc/52/02/53/587520253.db2.gz LKXPOLKOVRXDRI-ZDUSSCGKSA-N 1 1 239.322 2.189 20 30 BEEDMO C#CCC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830853971 587573903 /nfs/dbraw/zinc/57/39/03/587573903.db2.gz GEZLNNHZTJMZMF-GFCCVEGCSA-N 1 1 207.317 2.043 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@](CO)(COC)C1 ZINC000832394449 587657639 /nfs/dbraw/zinc/65/76/39/587657639.db2.gz GYOKMIQONYEXKM-AWEZNQCLSA-N 1 1 243.391 2.288 20 30 BEEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000832721140 587677745 /nfs/dbraw/zinc/67/77/45/587677745.db2.gz AMTBTORFRLUXCW-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)c1csc(C)c1 ZINC000834913869 587769614 /nfs/dbraw/zinc/76/96/14/587769614.db2.gz IINVSIMGWLHZRZ-UHFFFAOYSA-N 1 1 237.372 2.028 20 30 BEEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000834902565 587769876 /nfs/dbraw/zinc/76/98/76/587769876.db2.gz JNIZNXPMXQCKOS-LBPRGKRZSA-N 1 1 239.322 2.252 20 30 BEEDMO C#Cc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000842157480 588004867 /nfs/dbraw/zinc/00/48/67/588004867.db2.gz QOAMCBWEAPXNMK-HNNXBMFYSA-N 1 1 237.306 2.201 20 30 BEEDMO CC(C)Oc1ccc([C@@H](O)C[NH2+]CCC#N)cc1 ZINC000843083526 588080569 /nfs/dbraw/zinc/08/05/69/588080569.db2.gz YHNJGELNWVDUPF-AWEZNQCLSA-N 1 1 248.326 2.010 20 30 BEEDMO N#CCC[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000843101982 588081693 /nfs/dbraw/zinc/08/16/93/588081693.db2.gz PMEKKGVHRGQCSN-CYBMUJFWSA-N 1 1 230.311 2.003 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnn(C=C)c2)C1 ZINC000843422917 588107648 /nfs/dbraw/zinc/10/76/48/588107648.db2.gz JFWYPTPAABCTLC-CYBMUJFWSA-N 1 1 229.327 2.219 20 30 BEEDMO C=CC[N@H+](Cc1cc2n(n1)CCC2)C(C)C ZINC000844277126 588179434 /nfs/dbraw/zinc/17/94/34/588179434.db2.gz JDNHMOJFNLVYTA-UHFFFAOYSA-N 1 1 219.332 2.226 20 30 BEEDMO C=CC[N@@H+](Cc1cc2n(n1)CCC2)C(C)C ZINC000844277126 588179436 /nfs/dbraw/zinc/17/94/36/588179436.db2.gz JDNHMOJFNLVYTA-UHFFFAOYSA-N 1 1 219.332 2.226 20 30 BEEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844393326 588189515 /nfs/dbraw/zinc/18/95/15/588189515.db2.gz RCWBTQFVALFKDI-UONOGXRCSA-N 1 1 243.391 2.429 20 30 BEEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402437 588190131 /nfs/dbraw/zinc/19/01/31/588190131.db2.gz RCWBTQFVALFKDI-ZIAGYGMSSA-N 1 1 243.391 2.429 20 30 BEEDMO C#CCC[N@@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000844473153 588196653 /nfs/dbraw/zinc/19/66/53/588196653.db2.gz FYWZUNXQJQTDPN-NSHDSACASA-N 1 1 225.332 2.062 20 30 BEEDMO C#CCC[N@H+](C)[C@@H](CC)C(=O)OC(C)(C)C ZINC000844473153 588196654 /nfs/dbraw/zinc/19/66/54/588196654.db2.gz FYWZUNXQJQTDPN-NSHDSACASA-N 1 1 225.332 2.062 20 30 BEEDMO C=C[C@@H](C)O[NH+]=C1CCCc2nc(N)ccc21 ZINC000844619743 588208970 /nfs/dbraw/zinc/20/89/70/588208970.db2.gz CNPCGIRGWHAYFP-SECBINFHSA-N 1 1 231.299 2.295 20 30 BEEDMO C=C[C@H](C)O[NH+]=C1CCCc2nc(N)ccc21 ZINC000844619744 588209051 /nfs/dbraw/zinc/20/90/51/588209051.db2.gz CNPCGIRGWHAYFP-VIFPVBQESA-N 1 1 231.299 2.295 20 30 BEEDMO C=CCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000844642202 588212359 /nfs/dbraw/zinc/21/23/59/588212359.db2.gz HXRUUUZKJAQBTD-UPJWGTAASA-N 1 1 238.375 2.282 20 30 BEEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCCC#N ZINC000845727461 588242767 /nfs/dbraw/zinc/24/27/67/588242767.db2.gz BKGWNLNHHSEKAV-LLVKDONJSA-N 1 1 238.331 2.096 20 30 BEEDMO C=CCCCC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845816306 588246221 /nfs/dbraw/zinc/24/62/21/588246221.db2.gz AGUVEISVFZCNRR-NEPJUHHUSA-N 1 1 225.332 2.226 20 30 BEEDMO C#CCCCCC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845817660 588246266 /nfs/dbraw/zinc/24/62/66/588246266.db2.gz JARSDTFLACCPRD-OLZOCXBDSA-N 1 1 237.343 2.063 20 30 BEEDMO C=CCC(C)(C)C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845821719 588246352 /nfs/dbraw/zinc/24/63/52/588246352.db2.gz QXXFXJDKMVHLHZ-NEPJUHHUSA-N 1 1 239.359 2.472 20 30 BEEDMO N#CCC[NH2+]Cc1cccc2c1CCC2 ZINC000845963830 588251970 /nfs/dbraw/zinc/25/19/70/588251970.db2.gz AWBRKNKTXAKJLO-UHFFFAOYSA-N 1 1 200.285 2.179 20 30 BEEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC1(C#N)CCCC1 ZINC000846010267 588253358 /nfs/dbraw/zinc/25/33/58/588253358.db2.gz HUVBDCKIJQXEME-TZMCWYRMSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1(C#N)CCCC1 ZINC000846010267 588253359 /nfs/dbraw/zinc/25/33/59/588253359.db2.gz HUVBDCKIJQXEME-TZMCWYRMSA-N 1 1 247.386 2.143 20 30 BEEDMO CC[N@H+]1CCN(c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000846755078 588286037 /nfs/dbraw/zinc/28/60/37/588286037.db2.gz FVKNOKVDFBHDJG-CYBMUJFWSA-N 1 1 243.354 2.397 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2C[C@@H](C)CC2(C)C)nn1 ZINC000846812046 588290564 /nfs/dbraw/zinc/29/05/64/588290564.db2.gz RPTNOZAOEBRTNS-LBPRGKRZSA-N 1 1 248.374 2.475 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C)nc1 ZINC000846873615 588294737 /nfs/dbraw/zinc/29/47/37/588294737.db2.gz DBQHCRMYFDPVPJ-UHFFFAOYSA-N 1 1 202.301 2.234 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000847019469 588301844 /nfs/dbraw/zinc/30/18/44/588301844.db2.gz QSFWQSWVXBEOKD-ZDUSSCGKSA-N 1 1 224.307 2.403 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnn2C(C)C)C1 ZINC000847019112 588301851 /nfs/dbraw/zinc/30/18/51/588301851.db2.gz ORUGZOOFHXBQSN-CYBMUJFWSA-N 1 1 231.343 2.309 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000847018491 588302199 /nfs/dbraw/zinc/30/21/99/588302199.db2.gz KNGQEZJYRKCWLU-CYBMUJFWSA-N 1 1 221.344 2.148 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000847021363 588302487 /nfs/dbraw/zinc/30/24/87/588302487.db2.gz KDESUBCHWGAABN-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000847021363 588302488 /nfs/dbraw/zinc/30/24/88/588302488.db2.gz KDESUBCHWGAABN-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCOC(C)(C)C)C1 ZINC000847022263 588302643 /nfs/dbraw/zinc/30/26/43/588302643.db2.gz SUOWJPGEIFLSGN-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCc2csc(C)n2)C1 ZINC000847021059 588302795 /nfs/dbraw/zinc/30/27/95/588302795.db2.gz IDZCEZYBQYXZPH-LBPRGKRZSA-N 1 1 234.368 2.339 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(C)n2)C1 ZINC000847021364 588302872 /nfs/dbraw/zinc/30/28/72/588302872.db2.gz KDESUBCHWGAABN-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2csc(C)n2)C1 ZINC000847021364 588302873 /nfs/dbraw/zinc/30/28/73/588302873.db2.gz KDESUBCHWGAABN-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000847023008 588303099 /nfs/dbraw/zinc/30/30/99/588303099.db2.gz KMQNYBLEZSUKEM-AWEZNQCLSA-N 1 1 223.360 2.394 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000847022912 588303446 /nfs/dbraw/zinc/30/34/46/588303446.db2.gz JQKDRIUGNLGEFM-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000847022912 588303447 /nfs/dbraw/zinc/30/34/47/588303447.db2.gz JQKDRIUGNLGEFM-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000847024775 588303489 /nfs/dbraw/zinc/30/34/89/588303489.db2.gz LBYDCSBRRUXZKB-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000847024709 588303674 /nfs/dbraw/zinc/30/36/74/588303674.db2.gz RRFFECDEFSXBJH-IUODEOHRSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000847024708 588303820 /nfs/dbraw/zinc/30/38/20/588303820.db2.gz RRFFECDEFSXBJH-DOMZBBRYSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCCOC(C)C)C1 ZINC000847024777 588303886 /nfs/dbraw/zinc/30/38/86/588303886.db2.gz LBYDCSBRRUXZKB-ZDUSSCGKSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000847025514 588303935 /nfs/dbraw/zinc/30/39/35/588303935.db2.gz NPSRVVGYSYQEBU-NSHDSACASA-N 1 1 249.276 2.301 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000847032633 588304412 /nfs/dbraw/zinc/30/44/12/588304412.db2.gz DEZVFBWVCVVXBY-ZDUSSCGKSA-N 1 1 243.354 2.065 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000847032633 588304413 /nfs/dbraw/zinc/30/44/13/588304413.db2.gz DEZVFBWVCVVXBY-ZDUSSCGKSA-N 1 1 243.354 2.065 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847821604 588334140 /nfs/dbraw/zinc/33/41/40/588334140.db2.gz JGAAOEIEFNZFPH-STQMWFEESA-N 1 1 239.359 2.474 20 30 BEEDMO c1ccc(N=NC2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000848401052 588378297 /nfs/dbraw/zinc/37/82/97/588378297.db2.gz SMGPMGLNUPYIQU-ZDUSSCGKSA-N 1 1 244.342 2.498 20 30 BEEDMO FC(F)CON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408435 588378871 /nfs/dbraw/zinc/37/88/71/588378871.db2.gz NLGVMNKRRMSTMU-JTQLQIEISA-N 1 1 232.274 2.272 20 30 BEEDMO FC(F)CON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848408436 588379130 /nfs/dbraw/zinc/37/91/30/588379130.db2.gz NLGVMNKRRMSTMU-SNVBAGLBSA-N 1 1 232.274 2.272 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000848519104 588390165 /nfs/dbraw/zinc/39/01/65/588390165.db2.gz NEGUFAODAXNIDZ-UFBFGSQYSA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000848518617 588390190 /nfs/dbraw/zinc/39/01/90/588390190.db2.gz JJGSZAVGEKRECS-GXFFZTMASA-N 1 1 243.310 2.407 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000848518618 588390446 /nfs/dbraw/zinc/39/04/46/588390446.db2.gz JJGSZAVGEKRECS-MFKMUULPSA-N 1 1 243.310 2.407 20 30 BEEDMO CC(C)(C#N)c1ccc(C[NH2+]CCC#N)cc1 ZINC000848906725 588419249 /nfs/dbraw/zinc/41/92/49/588419249.db2.gz CIBHUBJZLBOCQR-UHFFFAOYSA-N 1 1 227.311 2.491 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000848923555 588421447 /nfs/dbraw/zinc/42/14/47/588421447.db2.gz NCEKGOPFDGJJJU-CYBMUJFWSA-N 1 1 245.370 2.483 20 30 BEEDMO N#CC1(C[NH2+]Cc2cncnc2)CCCCC1 ZINC000850390653 588543297 /nfs/dbraw/zinc/54/32/97/588543297.db2.gz MPEWOSFXNGDXKG-UHFFFAOYSA-N 1 1 230.315 2.040 20 30 BEEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850410315 588544564 /nfs/dbraw/zinc/54/45/64/588544564.db2.gz RFHTZMFDYVFRSH-LBPRGKRZSA-N 1 1 239.322 2.252 20 30 BEEDMO C#CCOCC[N@H+](CC)Cc1ccccc1 ZINC000851714823 588615954 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/nfs/dbraw/zinc/62/38/95/588623895.db2.gz PZAOZDCOJORLST-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000851768888 588625656 /nfs/dbraw/zinc/62/56/56/588625656.db2.gz OTEGORKLEMYRJT-CYBMUJFWSA-N 1 1 241.400 2.244 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000851779370 588626974 /nfs/dbraw/zinc/62/69/74/588626974.db2.gz SNZSTYMSDLKFGS-LBPRGKRZSA-N 1 1 247.313 2.395 20 30 BEEDMO C=CCCCCC[N@H+](C)C[C@H]1CCC(=O)O1 ZINC000851781541 588627904 /nfs/dbraw/zinc/62/79/04/588627904.db2.gz ZVXOGIIDZLMTQE-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000851784988 588628211 /nfs/dbraw/zinc/62/82/11/588628211.db2.gz JIXMOMGJOKGVEG-MRXNPFEDSA-N 1 1 243.350 2.201 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000851786166 588628729 /nfs/dbraw/zinc/62/87/29/588628729.db2.gz QZGJOZFGSKUUKS-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO COC(CC[N@@H+](CCC#N)CCC(C)C)OC ZINC000851798972 588630038 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/nfs/dbraw/zinc/67/86/94/588678694.db2.gz UQNLIKQIWIUOJJ-OAHLLOKOSA-N 1 1 241.338 2.349 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000852410288 588681168 /nfs/dbraw/zinc/68/11/68/588681168.db2.gz LCROAUBTJYYSGS-OLZOCXBDSA-N 1 1 239.359 2.426 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000852495375 588685562 /nfs/dbraw/zinc/68/55/62/588685562.db2.gz JKLPZFALRVWQDL-IHRRRGAJSA-N 1 1 249.354 2.063 20 30 BEEDMO CCCCCCC[N@@H+](C)C[C@H]1COCCO1 ZINC000852496148 588686084 /nfs/dbraw/zinc/68/60/84/588686084.db2.gz POFZLEOAXMJIPI-ZDUSSCGKSA-N 1 1 229.364 2.304 20 30 BEEDMO C#CC[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000852535878 588688509 /nfs/dbraw/zinc/68/85/09/588688509.db2.gz MXGDNJZJOSZHIT-HNNXBMFYSA-N 1 1 229.323 2.292 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1COC(C)(C)O1)C(C)(C)C ZINC000852554075 588689527 /nfs/dbraw/zinc/68/95/27/588689527.db2.gz BNHLZODCNDEGGP-LLVKDONJSA-N 1 1 227.348 2.424 20 30 BEEDMO CCCCCCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000852581445 588692144 /nfs/dbraw/zinc/69/21/44/588692144.db2.gz UBXYNJVNZLMDIY-UHFFFAOYSA-N 1 1 226.364 2.121 20 30 BEEDMO C#CCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596817 588692757 /nfs/dbraw/zinc/69/27/57/588692757.db2.gz OCEQLXIRLPSJIE-KBPBESRZSA-N 1 1 221.344 2.291 20 30 BEEDMO Cc1ccccc1[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000852684421 588695600 /nfs/dbraw/zinc/69/56/00/588695600.db2.gz GQDZUVSKVYKLBQ-LSDHHAIUSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccccc1[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000852684421 588695601 /nfs/dbraw/zinc/69/56/01/588695601.db2.gz GQDZUVSKVYKLBQ-LSDHHAIUSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccc([C@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000852684782 588696013 /nfs/dbraw/zinc/69/60/13/588696013.db2.gz OCDSDHKQEJVZEL-HUUCEWRRSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccc([C@H](O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000852684782 588696014 /nfs/dbraw/zinc/69/60/14/588696014.db2.gz OCDSDHKQEJVZEL-HUUCEWRRSA-N 1 1 244.338 2.264 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccn1 ZINC000852687356 588696220 /nfs/dbraw/zinc/69/62/20/588696220.db2.gz IWTLQYAPIWWOHT-VNHYZAJKSA-N 1 1 244.338 2.298 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](CCC1CC1)CC1CC1 ZINC000852716688 588697759 /nfs/dbraw/zinc/69/77/59/588697759.db2.gz PDKHBGXBQSVGHV-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CC1(C)C ZINC000852774639 588701935 /nfs/dbraw/zinc/70/19/35/588701935.db2.gz YHEDPAOXIORPPH-NEPJUHHUSA-N 1 1 219.332 2.408 20 30 BEEDMO C=C(Br)C[N@H+]1CC2CC1(C)C2 ZINC000852785365 588702454 /nfs/dbraw/zinc/70/24/54/588702454.db2.gz HYXMOTQHORKYBP-UHFFFAOYSA-N 1 1 216.122 2.379 20 30 BEEDMO C=C(Br)C[N@@H+]1CC2CC1(C)C2 ZINC000852785365 588702455 /nfs/dbraw/zinc/70/24/55/588702455.db2.gz HYXMOTQHORKYBP-UHFFFAOYSA-N 1 1 216.122 2.379 20 30 BEEDMO C=CCC[C@H](OC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC000860621106 589110636 /nfs/dbraw/zinc/11/06/36/589110636.db2.gz DGCWVVCISQXWKD-ZDUSSCGKSA-N 1 1 248.326 2.480 20 30 BEEDMO C#CC[N@H+](C[C@]1(C)CCCS1)C1CC1 ZINC000862326049 589201432 /nfs/dbraw/zinc/20/14/32/589201432.db2.gz IWQSLDFMCITZJF-LBPRGKRZSA-N 1 1 209.358 2.370 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(C)o2)C1 ZINC000862400202 589209340 /nfs/dbraw/zinc/20/93/40/589209340.db2.gz PTWUCTGWRBRCGU-LBPRGKRZSA-N 1 1 218.300 2.218 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC000862442787 589213431 /nfs/dbraw/zinc/21/34/31/589213431.db2.gz HUYBBDFCWMBTOD-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@H+](CC(C)(C)COC)C1 ZINC000862444573 589213949 /nfs/dbraw/zinc/21/39/49/589213949.db2.gz CGIKFFSSBCCOIK-LBPRGKRZSA-N 1 1 209.333 2.004 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000862443620 589214161 /nfs/dbraw/zinc/21/41/61/589214161.db2.gz RFXLGYOFRYOAEP-GFCCVEGCSA-N 1 1 244.294 2.440 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000862444918 589214603 /nfs/dbraw/zinc/21/46/03/589214603.db2.gz IXEZVPCKNLFWSM-GFCCVEGCSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000862448036 589215288 /nfs/dbraw/zinc/21/52/88/589215288.db2.gz VPMMEAKMVDSQJP-LBPRGKRZSA-N 1 1 232.302 2.374 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cncc(OCC)c2)C1 ZINC000862447984 589215469 /nfs/dbraw/zinc/21/54/69/589215469.db2.gz TZAGGDBTNKUSHQ-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO CC[C@H](C)CON=C1C[N@H+]2C[C@@H]1CCC2 ZINC000863114176 589259079 /nfs/dbraw/zinc/25/90/79/589259079.db2.gz CLLKCYIWTOGTMU-QWRGUYRKSA-N 1 1 210.321 2.131 20 30 BEEDMO Cc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)n1 ZINC000863159921 589264839 /nfs/dbraw/zinc/26/48/39/589264839.db2.gz KGMVDHWQIPGTBG-GFCCVEGCSA-N 1 1 230.315 2.026 20 30 BEEDMO CCO[C@H]1CC(=[NH+]n2cccn2)C12CCCC2 ZINC000863165902 589267315 /nfs/dbraw/zinc/26/73/15/589267315.db2.gz PQLDUQXECLSKCJ-LBPRGKRZSA-N 1 1 233.315 2.456 20 30 BEEDMO C=CCOCCO[NH+]=C(N)CCC(F)(F)F ZINC000863490066 589293906 /nfs/dbraw/zinc/29/39/06/589293906.db2.gz CWHLOWKJPQIZBB-UHFFFAOYSA-N 1 1 240.225 2.030 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000866584634 589502101 /nfs/dbraw/zinc/50/21/01/589502101.db2.gz PLWDITPOSJZKHO-VOAKCMCISA-N 1 1 236.384 2.364 20 30 BEEDMO C=CCCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871155173 589739999 /nfs/dbraw/zinc/73/99/99/589739999.db2.gz NARXZMOOVJJXDA-UHFFFAOYSA-N 1 1 238.375 2.285 20 30 BEEDMO N#Cc1ccc(Cn2cc[nH+]c2C2CC2)o1 ZINC000871678466 589789394 /nfs/dbraw/zinc/78/93/94/589789394.db2.gz AELPQNJMUWUSOX-UHFFFAOYSA-N 1 1 213.240 2.273 20 30 BEEDMO CCCCC(N)=[NH+]OCc1ccc(C#N)o1 ZINC000871728176 589799637 /nfs/dbraw/zinc/79/96/37/589799637.db2.gz RGOFBTOWHWJTMG-UHFFFAOYSA-N 1 1 221.260 2.340 20 30 BEEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCC[C@H]1F ZINC000871903719 589830548 /nfs/dbraw/zinc/83/05/48/589830548.db2.gz FMZHVSPGZQNLKV-TUAOUCFPSA-N 1 1 223.295 2.300 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC2CC2)no1 ZINC000872172775 589888074 /nfs/dbraw/zinc/88/80/74/589888074.db2.gz HJLJSWYXTJELKL-QMMMGPOBSA-N 1 1 227.695 2.165 20 30 BEEDMO 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BEEDMO N#Cc1cncc(Nc2c[nH+]c3ccccn23)c1 ZINC001210084195 969789379 /nfs/dbraw/zinc/78/93/79/969789379.db2.gz RGYBJYQTVCKBBV-UHFFFAOYSA-N 1 1 235.250 2.345 20 30 BEEDMO N#CCC1(N[C@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001254852840 969805117 /nfs/dbraw/zinc/80/51/17/969805117.db2.gz JIVGXCFQDGBXGJ-AWEZNQCLSA-N 1 1 247.386 2.287 20 30 BEEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254860040 969810897 /nfs/dbraw/zinc/81/08/97/969810897.db2.gz IVQBHJCEBNIAQU-LSDHHAIUSA-N 1 1 247.386 2.096 20 30 BEEDMO N#C[C@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254860040 969810900 /nfs/dbraw/zinc/81/09/00/969810900.db2.gz IVQBHJCEBNIAQU-LSDHHAIUSA-N 1 1 247.386 2.096 20 30 BEEDMO C#C[C@@](C)(CC)Nc1cc[nH+]c(C)c1F ZINC001169699839 969823064 /nfs/dbraw/zinc/82/30/64/969823064.db2.gz BEVZQDUOHACVPK-LBPRGKRZSA-N 1 1 206.264 2.165 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC001255027227 969853128 /nfs/dbraw/zinc/85/31/28/969853128.db2.gz MXBOCPPHIQAPEC-CYBMUJFWSA-N 1 1 225.335 2.499 20 30 BEEDMO C=C[C@@H](CO)Nc1cccc(C(C)C)[nH+]1 ZINC001169781154 969857057 /nfs/dbraw/zinc/85/70/57/969857057.db2.gz NVSIPMUBEXYJPW-JTQLQIEISA-N 1 1 206.289 2.164 20 30 BEEDMO C#Cc1ccc(-c2ncnc3c2C[N@@H+](C)CC3)cc1 ZINC001242293618 969883178 /nfs/dbraw/zinc/88/31/78/969883178.db2.gz MEIFTHRYDAQGQG-UHFFFAOYSA-N 1 1 249.317 2.113 20 30 BEEDMO C=CCCCCCN1CC[NH2+][C@@H](C)CC1 ZINC001210476123 969900299 /nfs/dbraw/zinc/90/02/99/969900299.db2.gz SAQIMTVNBKPDTE-ZDUSSCGKSA-N 1 1 210.365 2.417 20 30 BEEDMO C=CCCCCC[N@@H+]1CCN[C@@H](C)CC1 ZINC001210476123 969900305 /nfs/dbraw/zinc/90/03/05/969900305.db2.gz SAQIMTVNBKPDTE-ZDUSSCGKSA-N 1 1 210.365 2.417 20 30 BEEDMO C=CCCCCC[N@H+]1CCN[C@@H](C)CC1 ZINC001210476123 969900311 /nfs/dbraw/zinc/90/03/11/969900311.db2.gz SAQIMTVNBKPDTE-ZDUSSCGKSA-N 1 1 210.365 2.417 20 30 BEEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108889874 969909509 /nfs/dbraw/zinc/90/95/09/969909509.db2.gz DMOXMESHKRLMMJ-RDBSUJKOSA-N 1 1 248.370 2.250 20 30 BEEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109015452 969922226 /nfs/dbraw/zinc/92/22/26/969922226.db2.gz CIKDMFCTDLTNSJ-UBDFWVFDSA-N 1 1 248.370 2.250 20 30 BEEDMO CC[C@@H](CC#N)[NH2+][C@@H](CCO)c1ccccc1 ZINC001255151980 969957266 /nfs/dbraw/zinc/95/72/66/969957266.db2.gz KECDXCOYUCTBOM-KBPBESRZSA-N 1 1 232.327 2.392 20 30 BEEDMO CCCC[N@@H+](C)CCCN[C@H](CC)CC#N ZINC001255153239 969959906 /nfs/dbraw/zinc/95/99/06/969959906.db2.gz SGQCOOMSRUZNNW-CYBMUJFWSA-N 1 1 225.380 2.390 20 30 BEEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001109353572 969963424 /nfs/dbraw/zinc/96/34/24/969963424.db2.gz NWTMSZVOUKEOLS-AGIUHOORSA-N 1 1 236.359 2.084 20 30 BEEDMO CC[C@H](CC#N)NCc1[nH+]cn2ccccc12 ZINC001255162785 969973540 /nfs/dbraw/zinc/97/35/40/969973540.db2.gz YWHLJHHUQXIICR-LLVKDONJSA-N 1 1 228.299 2.116 20 30 BEEDMO CC[C@H](CC#N)[NH+]1CCC(C)(C#N)CC1 ZINC001255173903 969987745 /nfs/dbraw/zinc/98/77/45/969987745.db2.gz GBUCLLZEWDJRMA-LLVKDONJSA-N 1 1 205.305 2.304 20 30 BEEDMO CC[C@H](CC#N)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001255173780 969988815 /nfs/dbraw/zinc/98/88/15/969988815.db2.gz DVTNRYFIAOCDDR-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001255179781 969995993 /nfs/dbraw/zinc/99/59/93/969995993.db2.gz RTJURMOXUHJDNM-OLZOCXBDSA-N 1 1 245.326 2.227 20 30 BEEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001255179781 969995996 /nfs/dbraw/zinc/99/59/96/969995996.db2.gz RTJURMOXUHJDNM-OLZOCXBDSA-N 1 1 245.326 2.227 20 30 BEEDMO C[C@@H]1CC(=O)C=C(n2c[nH+]c3cccc(N)c32)C1 ZINC001210769469 970020557 /nfs/dbraw/zinc/02/05/57/970020557.db2.gz BRKRSFIWSMUAPS-VIFPVBQESA-N 1 1 241.294 2.458 20 30 BEEDMO C=CCN(Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC001255439758 970168122 /nfs/dbraw/zinc/16/81/22/970168122.db2.gz WXZKQRVNLLKJBA-HNNXBMFYSA-N 1 1 230.355 2.379 20 30 BEEDMO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C)C1 ZINC001255439758 970168128 /nfs/dbraw/zinc/16/81/28/970168128.db2.gz WXZKQRVNLLKJBA-HNNXBMFYSA-N 1 1 230.355 2.379 20 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220.360 2.287 20 30 BEEDMO N#C[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000400926918 970649979 /nfs/dbraw/zinc/64/99/79/970649979.db2.gz MDICIICPJFYPQA-STQMWFEESA-N 1 1 222.332 2.039 20 30 BEEDMO COc1cccc(C[C@@H](C)[N@H+](C)CCC#N)c1 ZINC001256157872 970679274 /nfs/dbraw/zinc/67/92/74/970679274.db2.gz XUEFWAVRQJQLME-GFCCVEGCSA-N 1 1 232.327 2.472 20 30 BEEDMO COc1cccc(C[C@@H](C)[N@@H+](C)CCC#N)c1 ZINC001256157872 970679284 /nfs/dbraw/zinc/67/92/84/970679284.db2.gz XUEFWAVRQJQLME-GFCCVEGCSA-N 1 1 232.327 2.472 20 30 BEEDMO C[N@@H+](Cc1cc(F)cc(C#N)c1)[C@H]1CCCOC1 ZINC000401462698 970697877 /nfs/dbraw/zinc/69/78/77/970697877.db2.gz KCHZKKFUXXPTJQ-AWEZNQCLSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)C2(CC2)C1 ZINC001144084918 972562237 /nfs/dbraw/zinc/56/22/37/972562237.db2.gz SDSAJEPJWLSLME-LLVKDONJSA-N 1 1 227.311 2.328 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)nc1 ZINC001144153493 972631815 /nfs/dbraw/zinc/63/18/15/972631815.db2.gz ACTNGSOJHHWSCM-GFCCVEGCSA-N 1 1 233.290 2.277 20 30 BEEDMO CN(C)c1ncccc1C=[NH+]OC1CCC1 ZINC001327609070 972669954 /nfs/dbraw/zinc/66/99/54/972669954.db2.gz HZXCCBSDAFDJBB-UHFFFAOYSA-N 1 1 219.288 2.051 20 30 BEEDMO CC[C@@H]1CCCC[C@H]1C[NH+]1CC(O)(CC#N)C1 ZINC001330098218 972747014 /nfs/dbraw/zinc/74/70/14/972747014.db2.gz JCHSKPFNKGZKEZ-OLZOCXBDSA-N 1 1 236.359 2.163 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(O)cc1C(F)(F)F ZINC001144391547 972794923 /nfs/dbraw/zinc/79/49/23/972794923.db2.gz OWPQKLVEFCHPPY-UHFFFAOYSA-N 1 1 243.228 2.476 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccn2C2CC2)CC1 ZINC001327951408 972825391 /nfs/dbraw/zinc/82/53/91/972825391.db2.gz FUTDCMVLQRGHOD-UHFFFAOYSA-N 1 1 215.300 2.216 20 30 BEEDMO C=CCCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001328001012 972847093 /nfs/dbraw/zinc/84/70/93/972847093.db2.gz LCPMMGRSJBZMQM-SECBINFHSA-N 1 1 209.293 2.385 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)cc1 ZINC001144580564 972871185 /nfs/dbraw/zinc/87/11/85/972871185.db2.gz FPTCDQCGMTXNRB-HNNXBMFYSA-N 1 1 227.307 2.221 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC001144567284 972873271 /nfs/dbraw/zinc/87/32/71/972873271.db2.gz HENOUQNRMVFGGN-OAHLLOKOSA-N 1 1 229.323 2.015 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC001144567954 972874678 /nfs/dbraw/zinc/87/46/78/972874678.db2.gz FQGBJNNQIOSMMA-BBRMVZONSA-N 1 1 243.350 2.261 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001144568260 972874950 /nfs/dbraw/zinc/87/49/50/972874950.db2.gz OUFGAUDONKDYLD-CZUORRHYSA-N 1 1 243.350 2.261 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCCC23COC3)cc1 ZINC001144573457 972876868 /nfs/dbraw/zinc/87/68/68/972876868.db2.gz KWJUIZGZTBFASV-UHFFFAOYSA-N 1 1 227.307 2.033 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC001144569396 972877603 /nfs/dbraw/zinc/87/76/03/972877603.db2.gz QYMCUVFKGAZHKC-GASCZTMLSA-N 1 1 239.318 2.364 20 30 BEEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC=C)[C@H](C)C1 ZINC001328238788 972921502 /nfs/dbraw/zinc/92/15/02/972921502.db2.gz FNOVBBKEWFHZFE-OLZOCXBDSA-N 1 1 236.359 2.108 20 30 BEEDMO C=C[C@@H](OC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001223310174 972935413 /nfs/dbraw/zinc/93/54/13/972935413.db2.gz DVWYFGSLOZZEPG-HUUCEWRRSA-N 1 1 247.338 2.261 20 30 BEEDMO C=C[C@@H](OC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001223310174 972935429 /nfs/dbraw/zinc/93/54/29/972935429.db2.gz DVWYFGSLOZZEPG-HUUCEWRRSA-N 1 1 247.338 2.261 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001246584644 972960922 /nfs/dbraw/zinc/96/09/22/972960922.db2.gz XWIWJDYDCJAWKK-QWHCGFSZSA-N 1 1 241.354 2.222 20 30 BEEDMO C[C@@H](CCCC#N)N1CCCC[C@@](F)(C[NH3+])C1 ZINC001246584644 972960929 /nfs/dbraw/zinc/96/09/29/972960929.db2.gz XWIWJDYDCJAWKK-QWHCGFSZSA-N 1 1 241.354 2.222 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccc2scnc2c1 ZINC001144743846 972985234 /nfs/dbraw/zinc/98/52/34/972985234.db2.gz CEAWRORRJUSCTL-UHFFFAOYSA-N 1 1 240.331 2.365 20 30 BEEDMO COC[C@@H]1CC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229989 973025600 /nfs/dbraw/zinc/02/56/00/973025600.db2.gz ABKXBRVAROEHCA-WFASDCNBSA-N 1 1 244.338 2.210 20 30 BEEDMO CC(C)[NH+]1CC(O[C@@H](C#N)c2ccccc2)C1 ZINC001223715976 973242781 /nfs/dbraw/zinc/24/27/81/973242781.db2.gz YMMMHPLGSCOGRM-AWEZNQCLSA-N 1 1 230.311 2.360 20 30 BEEDMO C=CCC1(O)C[NH+](Cc2csc(C)c2)C1 ZINC000720873327 973295645 /nfs/dbraw/zinc/29/56/45/973295645.db2.gz QTIGEEUKMOHINZ-UHFFFAOYSA-N 1 1 223.341 2.179 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccnn2CCC)C1 ZINC001328743675 973326944 /nfs/dbraw/zinc/32/69/44/973326944.db2.gz OCZCILWILWIYPR-CQSZACIVSA-N 1 1 249.358 2.070 20 30 BEEDMO C=CC[N@@H+]1CCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001147106096 973439107 /nfs/dbraw/zinc/43/91/07/973439107.db2.gz LWOMTEYCNXWVBM-AWNIVKPZSA-N 1 1 248.370 2.063 20 30 BEEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@H+](C)CCC ZINC001329451045 973778360 /nfs/dbraw/zinc/77/83/60/973778360.db2.gz QEKZQFBTXBBPBL-LBPRGKRZSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CC1(C)CC1 ZINC001329501637 973802500 /nfs/dbraw/zinc/80/25/00/973802500.db2.gz HZZNXXQFPUTNHB-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C#CC[C@@H](CC)OC[C@H]1CCCC[N@H+]1C ZINC001224706687 973875024 /nfs/dbraw/zinc/87/50/24/973875024.db2.gz LJGVYPBQJFRCLL-CHWSQXEVSA-N 1 1 209.333 2.289 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001329862608 973947027 /nfs/dbraw/zinc/94/70/27/973947027.db2.gz LRNQJQCPOMFQHA-KGLIPLIRSA-N 1 1 221.344 2.148 20 30 BEEDMO CCC#C[C@H](C)Oc1cccnc1C[NH+](C)C ZINC001225279358 974345500 /nfs/dbraw/zinc/34/55/00/974345500.db2.gz WIVWGRSUTQSFDQ-LBPRGKRZSA-N 1 1 232.327 2.324 20 30 BEEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCC#N)C2 ZINC001172107535 974363643 /nfs/dbraw/zinc/36/36/43/974363643.db2.gz ZHXOWTFTEUQODZ-BTTYYORXSA-N 1 1 235.375 2.285 20 30 BEEDMO C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172115232 974380403 /nfs/dbraw/zinc/38/04/03/974380403.db2.gz SLBIAYLBRPHIEA-QKDCVEJESA-N 1 1 234.387 2.395 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CN2C(=O)CC2(C)C)C1 ZINC001330664143 974395572 /nfs/dbraw/zinc/39/55/72/974395572.db2.gz DCBRKZRGNRVNRT-LBPRGKRZSA-N 1 1 236.359 2.243 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)CC2(C)C)C1 ZINC001330664142 974398006 /nfs/dbraw/zinc/39/80/06/974398006.db2.gz DCBRKZRGNRVNRT-GFCCVEGCSA-N 1 1 236.359 2.243 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178873 974434020 /nfs/dbraw/zinc/43/40/20/974434020.db2.gz IKGZMDGVOYFSIH-STQMWFEESA-N 1 1 236.359 2.038 20 30 BEEDMO C#CC[N@H+](C)[C@@H]1CSc2ccccc2C1 ZINC001172203722 974435783 /nfs/dbraw/zinc/43/57/83/974435783.db2.gz VGENVAVKVHLKMK-LBPRGKRZSA-N 1 1 217.337 2.268 20 30 BEEDMO N#CC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229961 974470090 /nfs/dbraw/zinc/47/00/90/974470090.db2.gz QHUWSJHSLNOGMM-RLAWYHOSSA-N 1 1 234.343 2.322 20 30 BEEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOC[C@@H]1C ZINC001172308562 974516607 /nfs/dbraw/zinc/51/66/07/974516607.db2.gz LGYVCZJPQWRPFU-OLZOCXBDSA-N 1 1 244.338 2.210 20 30 BEEDMO CO[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172304830 974517449 /nfs/dbraw/zinc/51/74/49/974517449.db2.gz AIZXDCSAVIMRRV-IUODEOHRSA-N 1 1 244.338 2.210 20 30 BEEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C)C1 ZINC001172314897 974521810 /nfs/dbraw/zinc/52/18/10/974521810.db2.gz MHKMHJFBHHIAHS-OLZOCXBDSA-N 1 1 244.338 2.210 20 30 BEEDMO CCCCCCC[C@@H](CC)[N@@H+](C)C[C@H](O)CO ZINC001172357963 974626940 /nfs/dbraw/zinc/62/69/40/974626940.db2.gz NOBOVFDVEZQABE-KGLIPLIRSA-N 1 1 245.407 2.411 20 30 BEEDMO CCCCCCC[C@@H](CC)[N@@H+](C)C[C@@H](O)CO ZINC001172357965 974628077 /nfs/dbraw/zinc/62/80/77/974628077.db2.gz NOBOVFDVEZQABE-ZIAGYGMSSA-N 1 1 245.407 2.411 20 30 BEEDMO C[N@H+]1CC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225696991 974648266 /nfs/dbraw/zinc/64/82/66/974648266.db2.gz BYOQTBHCQLSUCR-LLVKDONJSA-N 1 1 236.702 2.295 20 30 BEEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)co2)C1 ZINC001331566300 974763298 /nfs/dbraw/zinc/76/32/98/974763298.db2.gz NOHVOQBMKIHRKN-LBPRGKRZSA-N 1 1 221.300 2.365 20 30 BEEDMO CC[C@H](C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC ZINC001172478680 974776675 /nfs/dbraw/zinc/77/66/75/974776675.db2.gz DPLPQUNDTSKNFV-SRVKXCTJSA-N 1 1 240.347 2.246 20 30 BEEDMO CCOC(=O)C(C)(C)[NH2+][C@@H](C)CCCC#N ZINC001172479735 974779262 /nfs/dbraw/zinc/77/92/62/974779262.db2.gz OCDHUSUVYARKPV-JTQLQIEISA-N 1 1 226.320 2.000 20 30 BEEDMO CC[N@H+]1CCC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114106 974797248 /nfs/dbraw/zinc/79/72/48/974797248.db2.gz FRCCUAPEWSFJFZ-GWQWUEFDSA-N 1 1 248.326 2.358 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](OC)[C@@H](C)CC)C1 ZINC001331727807 974805855 /nfs/dbraw/zinc/80/58/55/974805855.db2.gz IRVSEGCTJAWPER-MJBXVCDLSA-N 1 1 241.375 2.324 20 30 BEEDMO CO[C@@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172491257 974837699 /nfs/dbraw/zinc/83/76/99/974837699.db2.gz CYHSHMFZJULNSF-VXGBXAGGSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](CO)CC1 ZINC001172492160 974839257 /nfs/dbraw/zinc/83/92/57/974839257.db2.gz JBFJSSUXORLMCJ-STQMWFEESA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172492151 974839630 /nfs/dbraw/zinc/83/96/30/974839630.db2.gz JBAQGTOHYBRKBY-WDEREUQCSA-N 1 1 246.301 2.018 20 30 BEEDMO COC[C@@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172492220 974840054 /nfs/dbraw/zinc/84/00/54/974840054.db2.gz JPBLWTGXDFXZMX-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO COC[C@@H]1CCC[N@H+]1[C@@H](C)CCCC#N ZINC001172492223 974840542 /nfs/dbraw/zinc/84/05/42/974840542.db2.gz JPBLWTGXDFXZMX-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@H](CCCC#N)[N@@H+](C)C1CCN(C)CC1 ZINC001172493084 974843070 /nfs/dbraw/zinc/84/30/70/974843070.db2.gz WEOBIOXDSOBSRK-GFCCVEGCSA-N 1 1 223.364 2.095 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@](F)(CO)CC1 ZINC001172494399 974844484 /nfs/dbraw/zinc/84/44/84/974844484.db2.gz UBSPEDAQDGXOFX-CHWSQXEVSA-N 1 1 242.338 2.255 20 30 BEEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172498738 974850191 /nfs/dbraw/zinc/85/01/91/974850191.db2.gz QSZLFABMWXEVPB-NWDGAFQWSA-N 1 1 210.321 2.180 20 30 BEEDMO Cc1noc([C@@H]2CC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172498843 974850846 /nfs/dbraw/zinc/85/08/46/974850846.db2.gz RNRIKLXQTOUJCX-ZYHUDNBSSA-N 1 1 248.330 2.250 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001172499470 974851192 /nfs/dbraw/zinc/85/11/92/974851192.db2.gz YFBIYYJVKXRTTH-GXTWGEPZSA-N 1 1 235.375 2.237 20 30 BEEDMO C[C@@H](CCCC#N)N1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001172499470 974851196 /nfs/dbraw/zinc/85/11/96/974851196.db2.gz YFBIYYJVKXRTTH-GXTWGEPZSA-N 1 1 235.375 2.237 20 30 BEEDMO C[C@@H](CCCC#N)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001172499470 974851200 /nfs/dbraw/zinc/85/12/00/974851200.db2.gz YFBIYYJVKXRTTH-GXTWGEPZSA-N 1 1 235.375 2.237 20 30 BEEDMO CC(C)[N@@H+](C)[C@@H]1CCN([C@H](C)CCCC#N)C1 ZINC001172499411 974851508 /nfs/dbraw/zinc/85/15/08/974851508.db2.gz WWBZAELUYBLXPW-ZIAGYGMSSA-N 1 1 237.391 2.483 20 30 BEEDMO CC(C)N(C)[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172499411 974851510 /nfs/dbraw/zinc/85/15/10/974851510.db2.gz WWBZAELUYBLXPW-ZIAGYGMSSA-N 1 1 237.391 2.483 20 30 BEEDMO CC(C)N(C)[C@@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172499411 974851515 /nfs/dbraw/zinc/85/15/15/974851515.db2.gz WWBZAELUYBLXPW-ZIAGYGMSSA-N 1 1 237.391 2.483 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](CCO)C1 ZINC001172499122 974852296 /nfs/dbraw/zinc/85/22/96/974852296.db2.gz AXBQDMNRIMGYAF-QWHCGFSZSA-N 1 1 224.348 2.163 20 30 BEEDMO COC(=O)C[C@@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172501474 974853575 /nfs/dbraw/zinc/85/35/75/974853575.db2.gz QSMOUEOHRKIMDV-NEPJUHHUSA-N 1 1 238.331 2.096 20 30 BEEDMO CCC[NH+]1CCN([C@H](C)CCCC#N)CC1 ZINC001172501251 974854542 /nfs/dbraw/zinc/85/45/42/974854542.db2.gz PRNYWKPPMFJWJS-CYBMUJFWSA-N 1 1 223.364 2.096 20 30 BEEDMO C[C@H](CCCC#N)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001172503730 974857705 /nfs/dbraw/zinc/85/77/05/974857705.db2.gz BYLXYPKGRTWPLB-KGLIPLIRSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@H](CCCC#N)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC001172503730 974857709 /nfs/dbraw/zinc/85/77/09/974857709.db2.gz BYLXYPKGRTWPLB-KGLIPLIRSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCN2CCCC[C@H]2C1 ZINC001172503730 974857711 /nfs/dbraw/zinc/85/77/11/974857711.db2.gz BYLXYPKGRTWPLB-KGLIPLIRSA-N 1 1 235.375 2.239 20 30 BEEDMO CC(C)[N@@H+](CCCO)[C@H](C)CCCC#N ZINC001172504614 974859350 /nfs/dbraw/zinc/85/93/50/974859350.db2.gz HXXYOGXHOKRKFE-GFCCVEGCSA-N 1 1 212.337 2.162 20 30 BEEDMO CCN1CC[N@H+]([C@@H](C)CCCC#N)C[C@H]1C ZINC001172504676 974860379 /nfs/dbraw/zinc/86/03/79/974860379.db2.gz HXMPVPHKSOOFBN-QWHCGFSZSA-N 1 1 223.364 2.095 20 30 BEEDMO CC[N@@H+]1CCN([C@@H](C)CCCC#N)C[C@H]1C ZINC001172504676 974860381 /nfs/dbraw/zinc/86/03/81/974860381.db2.gz HXMPVPHKSOOFBN-QWHCGFSZSA-N 1 1 223.364 2.095 20 30 BEEDMO CC[N@H+]1CCN([C@@H](C)CCCC#N)C[C@H]1C ZINC001172504676 974860384 /nfs/dbraw/zinc/86/03/84/974860384.db2.gz HXMPVPHKSOOFBN-QWHCGFSZSA-N 1 1 223.364 2.095 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCn2cccc2C1 ZINC001172507042 974862751 /nfs/dbraw/zinc/86/27/51/974862751.db2.gz OBVVADXVYVANDZ-LBPRGKRZSA-N 1 1 217.316 2.386 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001172507051 974862970 /nfs/dbraw/zinc/86/29/70/974862970.db2.gz ODXMAKANAYQNJA-UONOGXRCSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@@H](CCCC#N)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001172507051 974862973 /nfs/dbraw/zinc/86/29/73/974862973.db2.gz ODXMAKANAYQNJA-UONOGXRCSA-N 1 1 235.375 2.239 20 30 BEEDMO CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CCCC#N ZINC001172508839 974863617 /nfs/dbraw/zinc/86/36/17/974863617.db2.gz HRENJHZQOQAEQS-ZDUSSCGKSA-N 1 1 225.380 2.342 20 30 BEEDMO CC[N@H+](CCCN(C)C)[C@@H](C)CCCC#N ZINC001172508839 974863618 /nfs/dbraw/zinc/86/36/18/974863618.db2.gz HRENJHZQOQAEQS-ZDUSSCGKSA-N 1 1 225.380 2.342 20 30 BEEDMO CC[N@@H+](CCCN(C)C)[C@@H](C)CCCC#N ZINC001172508839 974863620 /nfs/dbraw/zinc/86/36/20/974863620.db2.gz HRENJHZQOQAEQS-ZDUSSCGKSA-N 1 1 225.380 2.342 20 30 BEEDMO CC(C)c1ccc(C#N)c(O[C@@H]2CC[N@@H+](C)C2)n1 ZINC001226355871 974867157 /nfs/dbraw/zinc/86/71/57/974867157.db2.gz MGSSNQIEBOOGSU-GFCCVEGCSA-N 1 1 245.326 2.160 20 30 BEEDMO CC(NNc1ccc(C#N)c[nH+]1)=C1CC1(F)F ZINC001332014957 974919953 /nfs/dbraw/zinc/91/99/53/974919953.db2.gz UPWRCZSBYIQZJZ-VIFPVBQESA-N 1 1 236.225 2.396 20 30 BEEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1CC[N@H+](C)C1 ZINC001226521654 974942587 /nfs/dbraw/zinc/94/25/87/974942587.db2.gz JWHPPCPVNQCNGI-CYBMUJFWSA-N 1 1 230.311 2.258 20 30 BEEDMO CC[N@H+]1CC[C@@H](Oc2cc(C#N)ccc2C)C1 ZINC001226874660 975129452 /nfs/dbraw/zinc/12/94/52/975129452.db2.gz PBFMELLMWCGKQU-CYBMUJFWSA-N 1 1 230.311 2.340 20 30 BEEDMO C=CCOC1CCC([N@H+]2CC[C@@H](OC)C2)CC1 ZINC001173321534 975265975 /nfs/dbraw/zinc/26/59/75/975265975.db2.gz LKURFAJDXYQMCF-JXQTWKCFSA-N 1 1 239.359 2.221 20 30 BEEDMO Cc1ccc(C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC001332716562 975270254 /nfs/dbraw/zinc/27/02/54/975270254.db2.gz GOXNKTQDRMTQHS-TXEJJXNPSA-N 1 1 247.342 2.006 20 30 BEEDMO Cc1ccc(C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)o1 ZINC001332716562 975270261 /nfs/dbraw/zinc/27/02/61/975270261.db2.gz GOXNKTQDRMTQHS-TXEJJXNPSA-N 1 1 247.342 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BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3n2CCC3)C1 ZINC001248824232 989184227 /nfs/dbraw/zinc/18/42/27/989184227.db2.gz DSOMJAQSCDLXQH-CYBMUJFWSA-N 1 1 228.339 2.280 20 30 BEEDMO C#CC[N@H+](Cc1ccc2c(n1)CCC2)CC1CC1 ZINC001325501192 989201799 /nfs/dbraw/zinc/20/17/99/989201799.db2.gz FAWVZNYVCFACBO-UHFFFAOYSA-N 1 1 240.350 2.416 20 30 BEEDMO CCCC[N@@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249082187 989250001 /nfs/dbraw/zinc/25/00/01/989250001.db2.gz KGRGOXCNKDRZJG-UHFFFAOYSA-N 1 1 242.326 2.438 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC001325875322 989297020 /nfs/dbraw/zinc/29/70/20/989297020.db2.gz UNOCKRZGBMMFIK-KGLIPLIRSA-N 1 1 223.360 2.129 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccccc1CC ZINC001326015828 989328894 /nfs/dbraw/zinc/32/88/94/989328894.db2.gz SBIBIPSRTPXCSG-UHFFFAOYSA-N 1 1 231.339 2.331 20 30 BEEDMO C#CC[N@@H+](CC1CC1)C[C@](O)(CC)C(F)(F)F ZINC001119690151 989334944 /nfs/dbraw/zinc/33/49/44/989334944.db2.gz MDIWNGXYDBQVOS-LLVKDONJSA-N 1 1 249.276 2.035 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc2c(c1)N(CC)CC2 ZINC001249665074 989336432 /nfs/dbraw/zinc/33/64/32/989336432.db2.gz QSYPDTAPBZDUQY-UHFFFAOYSA-N 1 1 228.339 2.134 20 30 BEEDMO C#CCCN1CC[NH+](CCCC(C)(F)F)CC1 ZINC001119691242 989337585 /nfs/dbraw/zinc/33/75/85/989337585.db2.gz GZWZEJGPRCPYSZ-UHFFFAOYSA-N 1 1 244.329 2.063 20 30 BEEDMO C#CCOCC[N@@H+](C)CCCC(C)(F)F ZINC001119692368 989341341 /nfs/dbraw/zinc/34/13/41/989341341.db2.gz FLSRJEREQKRGND-UHFFFAOYSA-N 1 1 219.275 2.003 20 30 BEEDMO C=CC[N@H+](C)C[C@@H](O)CCOCc1ccccc1 ZINC001119744415 989378728 /nfs/dbraw/zinc/37/87/28/989378728.db2.gz AQMSGFKCFGEJML-HNNXBMFYSA-N 1 1 249.354 2.072 20 30 BEEDMO C[C@H](O)[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001119780278 989397943 /nfs/dbraw/zinc/39/79/43/989397943.db2.gz GLRKASKBMNLGEX-GFJIZPEISA-N 1 1 236.359 2.019 20 30 BEEDMO C=C(CC)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001519601134 989441163 /nfs/dbraw/zinc/44/11/63/989441163.db2.gz CAMHZWNHXXUQJC-QWHCGFSZSA-N 1 1 238.375 2.141 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@](O)(CC)C(F)(F)F ZINC001119850875 989443002 /nfs/dbraw/zinc/44/30/02/989443002.db2.gz FBJGVHCYQWOUGN-SNVBAGLBSA-N 1 1 237.265 2.033 20 30 BEEDMO C=C(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC001520175134 989520137 /nfs/dbraw/zinc/52/01/37/989520137.db2.gz QNJDHFZAPCWWHV-LBPRGKRZSA-N 1 1 226.364 2.189 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1cccn1C1CC1 ZINC001326447227 989559734 /nfs/dbraw/zinc/55/97/34/989559734.db2.gz SCIFOCJSWJKOQZ-UHFFFAOYSA-N 1 1 234.343 2.457 20 30 BEEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1cn2ccccc2n1 ZINC001326796036 989715435 /nfs/dbraw/zinc/71/54/35/989715435.db2.gz QHUUVNJBJQWXLV-NEPJUHHUSA-N 1 1 245.326 2.186 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](Nc2cc(Cl)ccn2)C1 ZINC001120874548 989939306 /nfs/dbraw/zinc/93/93/06/989939306.db2.gz LQCYNFAPSSVUDN-GFCCVEGCSA-N 1 1 249.745 2.245 20 30 BEEDMO C#CC[C@H](OC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001524890306 990020868 /nfs/dbraw/zinc/02/08/68/990020868.db2.gz FKCRCUWTMGULQF-KGLIPLIRSA-N 1 1 249.354 2.204 20 30 BEEDMO C#CC[C@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001524890306 990020875 /nfs/dbraw/zinc/02/08/75/990020875.db2.gz FKCRCUWTMGULQF-KGLIPLIRSA-N 1 1 249.354 2.204 20 30 BEEDMO C#CC[C@H](OC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001524890305 990021461 /nfs/dbraw/zinc/02/14/61/990021461.db2.gz FKCRCUWTMGULQF-KBPBESRZSA-N 1 1 249.354 2.204 20 30 BEEDMO C#CC[C@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001524890305 990021471 /nfs/dbraw/zinc/02/14/71/990021471.db2.gz FKCRCUWTMGULQF-KBPBESRZSA-N 1 1 249.354 2.204 20 30 BEEDMO C=C(CC)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001123756340 990651600 /nfs/dbraw/zinc/65/16/00/990651600.db2.gz RYLZDUZGWVSIBU-ZDUSSCGKSA-N 1 1 238.375 2.047 20 30 BEEDMO C=C(CC)C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001124052433 990744033 /nfs/dbraw/zinc/74/40/33/990744033.db2.gz XICYKYAKGPXESF-CYBMUJFWSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C(=C/C)CC ZINC001556466536 990828275 /nfs/dbraw/zinc/82/82/75/990828275.db2.gz CNQCHRBNMXAVKH-NTUHNPAUSA-N 1 1 238.375 2.309 20 30 BEEDMO COc1ccc(C[N@@H+]2CC[C@@H]2C)c(C#N)c1 ZINC001137699399 990842909 /nfs/dbraw/zinc/84/29/09/990842909.db2.gz GYTUQXZRNWYVAL-JTQLQIEISA-N 1 1 216.284 2.161 20 30 BEEDMO COc1ccc(C[N@H+]2CC[C@@H]2C)c(C#N)c1 ZINC001137699399 990842911 /nfs/dbraw/zinc/84/29/11/990842911.db2.gz GYTUQXZRNWYVAL-JTQLQIEISA-N 1 1 216.284 2.161 20 30 BEEDMO CC[N@H+](CCC#N)Cc1cccc2nccnc12 ZINC001138304332 990910851 /nfs/dbraw/zinc/91/08/51/990910851.db2.gz KHUIXGBQUBVLBE-UHFFFAOYSA-N 1 1 240.310 2.365 20 30 BEEDMO CC[N@@H+](CCC#N)Cc1cccc2nccnc12 ZINC001138304332 990910859 /nfs/dbraw/zinc/91/08/59/990910859.db2.gz KHUIXGBQUBVLBE-UHFFFAOYSA-N 1 1 240.310 2.365 20 30 BEEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001558504797 990950612 /nfs/dbraw/zinc/95/06/12/990950612.db2.gz WBABTEGKEOGGTE-NSHDSACASA-N 1 1 238.375 2.045 20 30 BEEDMO C#CC[NH+](CC#C)Cc1cccc(CC=C)c1O ZINC001138630582 990982928 /nfs/dbraw/zinc/98/29/28/990982928.db2.gz YSGHEGQEMDHHQL-UHFFFAOYSA-N 1 1 239.318 2.189 20 30 BEEDMO C=CCc1cccc(C[N@H+](C)CCOC)c1O ZINC001138624758 990988196 /nfs/dbraw/zinc/98/81/96/990988196.db2.gz SYVTXKDLJHDKDU-UHFFFAOYSA-N 1 1 235.327 2.199 20 30 BEEDMO C=CCc1cccc(C[N@@H+]2CCC23COC3)c1O ZINC001138628856 990988486 /nfs/dbraw/zinc/98/84/86/990988486.db2.gz HSNHTHBGODFLAP-UHFFFAOYSA-N 1 1 245.322 2.095 20 30 BEEDMO C=CCc1cccc(C[N@H+]2CCC23COC3)c1O ZINC001138628856 990988490 /nfs/dbraw/zinc/98/84/90/990988490.db2.gz HSNHTHBGODFLAP-UHFFFAOYSA-N 1 1 245.322 2.095 20 30 BEEDMO CNc1ccc(C)cc1C[NH2+][C@@H](C)CC#N ZINC001308506127 991013038 /nfs/dbraw/zinc/01/30/38/991013038.db2.gz RTKNTAWHANBABM-NSHDSACASA-N 1 1 217.316 2.429 20 30 BEEDMO C=CC[N@H+](C)[C@H](C)CCCC(=O)OCC ZINC001258124263 991028156 /nfs/dbraw/zinc/02/81/56/991028156.db2.gz HBCDYGLBWDPPHS-LLVKDONJSA-N 1 1 213.321 2.226 20 30 BEEDMO C#CC[N@H+](CC#CC)CC1(C(C)C)CC1 ZINC001308618825 991052266 /nfs/dbraw/zinc/05/22/66/991052266.db2.gz IAFHXMHHHWFBMT-UHFFFAOYSA-N 1 1 203.329 2.381 20 30 BEEDMO CC[N@H+](CCC#N)[C@H](C)Cc1ccco1 ZINC001258193130 991105959 /nfs/dbraw/zinc/10/59/59/991105959.db2.gz UGXRLMCCLAWNBQ-LLVKDONJSA-N 1 1 206.289 2.446 20 30 BEEDMO CC[N@@H+](CCC#N)[C@H](C)Cc1ccco1 ZINC001258193130 991105966 /nfs/dbraw/zinc/10/59/66/991105966.db2.gz UGXRLMCCLAWNBQ-LLVKDONJSA-N 1 1 206.289 2.446 20 30 BEEDMO C[C@H](Cc1ccco1)[N@@H+]1CC[C@H](C#N)C1 ZINC001258196478 991109207 /nfs/dbraw/zinc/10/92/07/991109207.db2.gz XGNXAODSCIOAIR-GHMZBOCLSA-N 1 1 204.273 2.056 20 30 BEEDMO C[C@H](Cc1ccco1)[N@H+]1CC[C@H](C#N)C1 ZINC001258196478 991109213 /nfs/dbraw/zinc/10/92/13/991109213.db2.gz XGNXAODSCIOAIR-GHMZBOCLSA-N 1 1 204.273 2.056 20 30 BEEDMO C[C@@H](Cc1ccco1)[N@@H+]1CC[C@H](C#N)C1 ZINC001258196481 991111041 /nfs/dbraw/zinc/11/10/41/991111041.db2.gz XGNXAODSCIOAIR-WDEREUQCSA-N 1 1 204.273 2.056 20 30 BEEDMO C[C@@H](Cc1ccco1)[N@H+]1CC[C@H](C#N)C1 ZINC001258196481 991111043 /nfs/dbraw/zinc/11/10/43/991111043.db2.gz XGNXAODSCIOAIR-WDEREUQCSA-N 1 1 204.273 2.056 20 30 BEEDMO C=CCOc1ccccc1C[N@@H+](C)CC1COC1 ZINC001139029878 991126895 /nfs/dbraw/zinc/12/68/95/991126895.db2.gz UCNCWRZTINCFCK-UHFFFAOYSA-N 1 1 247.338 2.330 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc2cccnc2c1 ZINC001139168166 991180393 /nfs/dbraw/zinc/18/03/93/991180393.db2.gz IWNJDHBHYWBGGY-UHFFFAOYSA-N 1 1 210.280 2.300 20 30 BEEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001559734563 991234847 /nfs/dbraw/zinc/23/48/47/991234847.db2.gz RCDNDZDVJPOKRY-NEPJUHHUSA-N 1 1 239.359 2.472 20 30 BEEDMO C=CCC1(O)C[NH+](Cc2cc(C)c(O)c(C)c2)C1 ZINC001308979614 991246938 /nfs/dbraw/zinc/24/69/38/991246938.db2.gz GFSOFPFLRSZNAZ-UHFFFAOYSA-N 1 1 247.338 2.132 20 30 BEEDMO CCCC[C@H](CC)C[NH+]1CC(O)(CC#N)C1 ZINC001559779795 991257950 /nfs/dbraw/zinc/25/79/50/991257950.db2.gz IVLYOTOMSCNKGG-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C=C(C)CCC(=O)NCC[N@H+](CC)CC(=C)C ZINC001317478994 991286651 /nfs/dbraw/zinc/28/66/51/991286651.db2.gz FVTYHQSRBFIYHQ-UHFFFAOYSA-N 1 1 238.375 2.357 20 30 BEEDMO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)ccc1N(C)C ZINC001139673138 991314803 /nfs/dbraw/zinc/31/48/03/991314803.db2.gz QCSOARWNVXJIGI-CQSZACIVSA-N 1 1 243.354 2.407 20 30 BEEDMO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)ccc1N(C)C ZINC001139673138 991314815 /nfs/dbraw/zinc/31/48/15/991314815.db2.gz QCSOARWNVXJIGI-CQSZACIVSA-N 1 1 243.354 2.407 20 30 BEEDMO CC[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701655 991329036 /nfs/dbraw/zinc/32/90/36/991329036.db2.gz NLXYYVLUKZWROI-UHFFFAOYSA-N 1 1 213.284 2.491 20 30 BEEDMO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729169 991342156 /nfs/dbraw/zinc/34/21/56/991342156.db2.gz QRNFJALUHNEBGM-HNNXBMFYSA-N 1 1 242.322 2.420 20 30 BEEDMO CC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139729169 991342165 /nfs/dbraw/zinc/34/21/65/991342165.db2.gz QRNFJALUHNEBGM-HNNXBMFYSA-N 1 1 242.322 2.420 20 30 BEEDMO CC12CC(C[N@H+]3CCC[C@@H](CC#N)C3)(C1)CO2 ZINC001559991895 991354537 /nfs/dbraw/zinc/35/45/37/991354537.db2.gz JXDJCAXIZXTSNO-HSBZDZAISA-N 1 1 234.343 2.181 20 30 BEEDMO C[C@]1(C#N)CC[N@@H+](CC2(O)CCCCCC2)C1 ZINC001560017821 991357775 /nfs/dbraw/zinc/35/77/75/991357775.db2.gz VQGXFLTYSAVLKU-CYBMUJFWSA-N 1 1 236.359 2.307 20 30 BEEDMO C[N@H+](CC1=CCSC1)Cc1cc(C#N)ccn1 ZINC001560020835 991359853 /nfs/dbraw/zinc/35/98/53/991359853.db2.gz OCOJFRMESOAVEQ-UHFFFAOYSA-N 1 1 245.351 2.058 20 30 BEEDMO C[N@@H+](CC1=CCSC1)Cc1cc(C#N)ccn1 ZINC001560020835 991359862 /nfs/dbraw/zinc/35/98/62/991359862.db2.gz OCOJFRMESOAVEQ-UHFFFAOYSA-N 1 1 245.351 2.058 20 30 BEEDMO C=CCn1cc(C[N@@H+](C)C2CC(F)(F)C2)cn1 ZINC001139765739 991360477 /nfs/dbraw/zinc/36/04/77/991360477.db2.gz FGIBULHQOHGZCQ-UHFFFAOYSA-N 1 1 241.285 2.299 20 30 BEEDMO C=CCn1cc(C[N@H+](C)C2CC(F)(F)C2)cn1 ZINC001139765739 991360481 /nfs/dbraw/zinc/36/04/81/991360481.db2.gz FGIBULHQOHGZCQ-UHFFFAOYSA-N 1 1 241.285 2.299 20 30 BEEDMO C=CCn1cc(C[N@@H+]2CCC(C)(C)C2)cn1 ZINC001139770649 991364278 /nfs/dbraw/zinc/36/42/78/991364278.db2.gz VUVCEWMCTYZYML-UHFFFAOYSA-N 1 1 219.332 2.301 20 30 BEEDMO 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C=CC1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000111258692 347472679 /nfs/dbraw/zinc/47/26/79/347472679.db2.gz AIKSRVQXPUERRR-UHFFFAOYSA-N 1 1 225.332 2.226 20 30 BEEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCC[C@@H]1O ZINC000590602096 347475911 /nfs/dbraw/zinc/47/59/11/347475911.db2.gz FLOVEFMAGDAIRG-KBPBESRZSA-N 1 1 236.359 2.163 20 30 BEEDMO CC(C)(C#N)CCC[N@H+]1CCc2nc[nH]c2C1 ZINC000590600210 347480209 /nfs/dbraw/zinc/48/02/09/347480209.db2.gz MOYLKUSOQZYEFH-UHFFFAOYSA-N 1 1 232.331 2.098 20 30 BEEDMO C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000302323711 347516553 /nfs/dbraw/zinc/51/65/53/347516553.db2.gz FFSDORSFURIWCT-LSDHHAIUSA-N 1 1 230.355 2.379 20 30 BEEDMO C=CCCCN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302323711 347516555 /nfs/dbraw/zinc/51/65/55/347516555.db2.gz FFSDORSFURIWCT-LSDHHAIUSA-N 1 1 230.355 2.379 20 30 BEEDMO C[C@H]1CCC(C)(C)[N@H+]1CCOCCC#N ZINC000590764453 347529104 /nfs/dbraw/zinc/52/91/04/347529104.db2.gz CQPIPTHIJBFUSV-NSHDSACASA-N 1 1 210.321 2.180 20 30 BEEDMO 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20 30 BEEDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)CCC#N ZINC000591011278 347605367 /nfs/dbraw/zinc/60/53/67/347605367.db2.gz NUNMCSJVWLMMQG-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cscn1 ZINC000380131004 365904227 /nfs/dbraw/zinc/90/42/27/365904227.db2.gz SURVLFODIIFKBY-GUBZILKMSA-N 1 1 221.329 2.486 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(CC)nn(C)c1Cl ZINC000390764753 347725123 /nfs/dbraw/zinc/72/51/23/347725123.db2.gz PIRPNBQABHFQFS-VIFPVBQESA-N 1 1 239.750 2.137 20 30 BEEDMO C[N@H+](Cc1ccncc1C#N)CC(C)(C)C ZINC000592066658 347726759 /nfs/dbraw/zinc/72/67/59/347726759.db2.gz FEIBLHZDXMSIAO-UHFFFAOYSA-N 1 1 217.316 2.431 20 30 BEEDMO C[N@@H+](Cc1ccncc1C#N)CC(C)(C)C ZINC000592066658 347726762 /nfs/dbraw/zinc/72/67/62/347726762.db2.gz FEIBLHZDXMSIAO-UHFFFAOYSA-N 1 1 217.316 2.431 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592071835 347728158 /nfs/dbraw/zinc/72/81/58/347728158.db2.gz SFUFSYLHYWBDND-GHMZBOCLSA-N 1 1 215.300 2.184 20 30 BEEDMO 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/nfs/dbraw/zinc/55/88/44/384558844.db2.gz QFVWGFITSCBKCO-GHMZBOCLSA-N 1 1 247.367 2.279 20 30 BEEDMO C#CC[NH+]1CCC(c2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000491766226 384600698 /nfs/dbraw/zinc/60/06/98/384600698.db2.gz DZVDPBZKZCPMPZ-PWSUYJOCSA-N 1 1 245.326 2.006 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N)nc1 ZINC000647539132 384664908 /nfs/dbraw/zinc/66/49/08/384664908.db2.gz YMOXNNFIZARGQN-GFCCVEGCSA-N 1 1 217.316 2.035 20 30 BEEDMO N#CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481105 384634606 /nfs/dbraw/zinc/63/46/06/384634606.db2.gz BWUFLGCASMPUPY-CYBMUJFWSA-N 1 1 215.300 2.086 20 30 BEEDMO N#CCC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103481105 384634614 /nfs/dbraw/zinc/63/46/14/384634614.db2.gz BWUFLGCASMPUPY-CYBMUJFWSA-N 1 1 215.300 2.086 20 30 BEEDMO CCCN1CCC([NH2+]CCCCC#N)CC1 ZINC000042225580 384635421 /nfs/dbraw/zinc/63/54/21/384635421.db2.gz LQZYYTOEECCRNR-UHFFFAOYSA-N 1 1 223.364 2.144 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000037903010 384645494 /nfs/dbraw/zinc/64/54/94/384645494.db2.gz RSBVMEJDAIPEJE-UHFFFAOYSA-N 1 1 200.285 2.400 20 30 BEEDMO C=C(C)CC[N@H+](CC(=O)OC)C1CCCC1 ZINC000160207554 384659451 /nfs/dbraw/zinc/65/94/51/384659451.db2.gz DTSGDAGUCPVACD-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO C#C[C@H](C)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368051248 384714431 /nfs/dbraw/zinc/71/44/31/384714431.db2.gz LHXUDOQJYHVWJY-DZKIICNBSA-N 1 1 242.366 2.433 20 30 BEEDMO C#C[C@H](C)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368051248 384714439 /nfs/dbraw/zinc/71/44/39/384714439.db2.gz LHXUDOQJYHVWJY-DZKIICNBSA-N 1 1 242.366 2.433 20 30 BEEDMO C=CCCCC[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000518156668 384749426 /nfs/dbraw/zinc/74/94/26/384749426.db2.gz LZJZZLFJFADUGT-STQMWFEESA-N 1 1 211.349 2.293 20 30 BEEDMO C#CC[N@@H+](CC)CCc1ncc(C)cc1C ZINC000491415193 384754248 /nfs/dbraw/zinc/75/42/48/384754248.db2.gz HCQPZIASNSILDM-UHFFFAOYSA-N 1 1 216.328 2.196 20 30 BEEDMO CC#CCC[N@@H+]([C@@H](CC)C(=O)OCC)C1CC1 ZINC000190663359 384810077 /nfs/dbraw/zinc/81/00/77/384810077.db2.gz PKJZWBNOQRMIEX-ZDUSSCGKSA-N 1 1 237.343 2.206 20 30 BEEDMO CC#CCC[N@H+]([C@@H](CC)C(=O)OCC)C1CC1 ZINC000190663359 384810081 /nfs/dbraw/zinc/81/00/81/384810081.db2.gz PKJZWBNOQRMIEX-ZDUSSCGKSA-N 1 1 237.343 2.206 20 30 BEEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)C(C)(C)C)C1=O ZINC000518273804 384890012 /nfs/dbraw/zinc/89/00/12/384890012.db2.gz JQICCBKOLUECLL-NEPJUHHUSA-N 1 1 238.375 2.140 20 30 BEEDMO C[N@@H+](CCNc1ncccc1C#N)C1CCCC1 ZINC000071377641 384863097 /nfs/dbraw/zinc/86/30/97/384863097.db2.gz JRPGYYIJISHDMG-UHFFFAOYSA-N 1 1 244.342 2.240 20 30 BEEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1=O ZINC000518273806 384889312 /nfs/dbraw/zinc/88/93/12/384889312.db2.gz JQICCBKOLUECLL-RYUDHWBXSA-N 1 1 238.375 2.140 20 30 BEEDMO C=CCCCCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000193333604 384950329 /nfs/dbraw/zinc/95/03/29/384950329.db2.gz MTCSRQUMCMSZPE-OLZOCXBDSA-N 1 1 238.375 2.319 20 30 BEEDMO C=CCCCCC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000193369329 384956504 /nfs/dbraw/zinc/95/65/04/384956504.db2.gz DXHMMYOQWLGMNF-GFCCVEGCSA-N 1 1 226.364 2.047 20 30 BEEDMO C#CC[N@@H+](C)CCc1ccccc1Cl ZINC000192238420 384914496 /nfs/dbraw/zinc/91/44/96/384914496.db2.gz RRWDIGOWOMMIFM-UHFFFAOYSA-N 1 1 207.704 2.448 20 30 BEEDMO O[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000127708104 384935629 /nfs/dbraw/zinc/93/56/29/384935629.db2.gz SNLYRQQWCKRTHP-CQSZACIVSA-N 1 1 249.741 2.148 20 30 BEEDMO CC(C)CC[N@@H+](CCOCCC#N)C1CC1 ZINC000338906228 384960016 /nfs/dbraw/zinc/96/00/16/384960016.db2.gz DLGXHIAUYXIMEE-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO CC(C)(C#N)CCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119675577 384940109 /nfs/dbraw/zinc/94/01/09/384940109.db2.gz XQMNHYXPEQRHCG-CQSZACIVSA-N 1 1 249.402 2.344 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)C1CCOCC1 ZINC000087595185 384980503 /nfs/dbraw/zinc/98/05/03/384980503.db2.gz QKHYKIRTKJWJBP-UHFFFAOYSA-N 1 1 210.321 2.037 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000127895447 384961872 /nfs/dbraw/zinc/96/18/72/384961872.db2.gz LRUCTXVGEJMDKD-LBPRGKRZSA-N 1 1 248.374 2.499 20 30 BEEDMO Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1C#N ZINC000451366391 385055105 /nfs/dbraw/zinc/05/51/05/385055105.db2.gz GJZPGTSRWHFJNL-LBPRGKRZSA-N 1 1 246.354 2.458 20 30 BEEDMO C#CC[N@H+](Cc1conc1C)C1CCCC1 ZINC000491179456 385055783 /nfs/dbraw/zinc/05/57/83/385055783.db2.gz FQZKHVBXBFRKST-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000362963598 385058702 /nfs/dbraw/zinc/05/87/02/385058702.db2.gz NVDNDNZAUGFKKD-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000362963598 385058708 /nfs/dbraw/zinc/05/87/08/385058708.db2.gz NVDNDNZAUGFKKD-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO C=CCN1CCC[C@H]([N@@H+](C)CC=C)CC1 ZINC000156948724 385029535 /nfs/dbraw/zinc/02/95/35/385029535.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 1 1 208.349 2.145 20 30 BEEDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1C#N ZINC000599264779 385103903 /nfs/dbraw/zinc/10/39/03/385103903.db2.gz NFXFGAIBPRSICC-OAHLLOKOSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599431480 385105853 /nfs/dbraw/zinc/10/58/53/385105853.db2.gz ZKMQMCDWOSUOIX-AWEZNQCLSA-N 1 1 232.327 2.069 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152401982 385194829 /nfs/dbraw/zinc/19/48/29/385194829.db2.gz HSLQRERSUGRTJW-GFCCVEGCSA-N 1 1 246.358 2.369 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152401886 385197072 /nfs/dbraw/zinc/19/70/72/385197072.db2.gz HSLQRERSUGRTJW-LBPRGKRZSA-N 1 1 246.358 2.369 20 30 BEEDMO N#CCC[NH2+]Cc1cccc(OC(F)F)c1 ZINC000336687780 385156319 /nfs/dbraw/zinc/15/63/19/385156319.db2.gz UNJOTASFUXDEBS-UHFFFAOYSA-N 1 1 226.226 2.291 20 30 BEEDMO CO[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000189353810 385175587 /nfs/dbraw/zinc/17/55/87/385175587.db2.gz OCTLGJWVBZAPFY-WFASDCNBSA-N 1 1 244.338 2.415 20 30 BEEDMO C[C@H](CC#N)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000063095309 385207415 /nfs/dbraw/zinc/20/74/15/385207415.db2.gz GXRGMPRIDLOLLY-LLVKDONJSA-N 1 1 247.298 2.371 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000063095309 385207422 /nfs/dbraw/zinc/20/74/22/385207422.db2.gz GXRGMPRIDLOLLY-LLVKDONJSA-N 1 1 247.298 2.371 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(OC)c(C#N)c1 ZINC000153252866 385243760 /nfs/dbraw/zinc/24/37/60/385243760.db2.gz NFJSRZWBGMEPCF-UHFFFAOYSA-N 1 1 247.298 2.156 20 30 BEEDMO C=CC[C@H](CO)CNc1cc[nH+]cc1Cl ZINC000308895662 385251014 /nfs/dbraw/zinc/25/10/14/385251014.db2.gz ZXLQBPRBWXKAMM-VIFPVBQESA-N 1 1 226.707 2.332 20 30 BEEDMO CC#CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000357595879 385251890 /nfs/dbraw/zinc/25/18/90/385251890.db2.gz NIYYHYUHKVNPMD-ZNMIVQPWSA-N 1 1 234.387 2.347 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)CC1(CO)CC1 ZINC000190017363 385205765 /nfs/dbraw/zinc/20/57/65/385205765.db2.gz ZUKMGVJPPHVRBF-UHFFFAOYSA-N 1 1 224.348 2.021 20 30 BEEDMO C#CC[NH2+]C1(c2nc(C)cs2)CCCC1 ZINC000309240479 385275664 /nfs/dbraw/zinc/27/56/64/385275664.db2.gz YHMGTCPLYNCODD-UHFFFAOYSA-N 1 1 220.341 2.444 20 30 BEEDMO C=CC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000179825263 385381889 /nfs/dbraw/zinc/38/18/89/385381889.db2.gz JECRJAOQSADEQW-SNVBAGLBSA-N 1 1 221.304 2.420 20 30 BEEDMO C=C(CC)C[N@H+](C)CC1(N(C)C)CCC1 ZINC000445852587 385419595 /nfs/dbraw/zinc/41/95/95/385419595.db2.gz VDKDHJNCRNVRKD-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(CC)C[N@@H+](C)CC1(N(C)C)CCC1 ZINC000445852587 385419599 /nfs/dbraw/zinc/41/95/99/385419599.db2.gz VDKDHJNCRNVRKD-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO COc1cccc([C@@H](C)[NH2+]CCC#N)c1 ZINC000020199652 385422231 /nfs/dbraw/zinc/42/22/31/385422231.db2.gz NFSXZGCKUXSMQA-SNVBAGLBSA-N 1 1 204.273 2.259 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000161678773 385444721 /nfs/dbraw/zinc/44/47/21/385444721.db2.gz RUOCIDQGACYFNZ-MROQNXINSA-N 1 1 210.365 2.269 20 30 BEEDMO C#C[C@H](Nc1cc(C)[nH+]c(C)n1)C(C)C ZINC000281961671 385464559 /nfs/dbraw/zinc/46/45/59/385464559.db2.gz SVRYXYCIEXWQKT-NSHDSACASA-N 1 1 203.289 2.163 20 30 BEEDMO COc1ccc(C(N)=[NH+]OCC2CCC2)cc1 ZINC000157984864 385541571 /nfs/dbraw/zinc/54/15/71/385541571.db2.gz JAUBATMIIHGFQT-UHFFFAOYSA-N 1 1 234.299 2.132 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000181308410 385570667 /nfs/dbraw/zinc/57/06/67/385570667.db2.gz PLQZYXKUVDEGRL-NSHDSACASA-N 1 1 226.364 2.188 20 30 BEEDMO C=CCCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000309467876 385596580 /nfs/dbraw/zinc/59/65/80/385596580.db2.gz PYYVXGBMAPIXOO-UHFFFAOYSA-N 1 1 225.332 2.418 20 30 BEEDMO C[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H](C)[N@@H+]1C ZINC000595504752 385632043 /nfs/dbraw/zinc/63/20/43/385632043.db2.gz ILTKDEWTUKVTFG-VNHYZAJKSA-N 1 1 243.354 2.276 20 30 BEEDMO CCN(C[C@H]1CCCC[N@H+]1C(C)C)[C@H](C)C#N ZINC000595821621 385639270 /nfs/dbraw/zinc/63/92/70/385639270.db2.gz XKLAZIKHAXONNU-ZIAGYGMSSA-N 1 1 237.391 2.483 20 30 BEEDMO CCCn1cc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000597175057 385665363 /nfs/dbraw/zinc/66/53/63/385665363.db2.gz VEDLEVPEMMAEJI-CYBMUJFWSA-N 1 1 246.358 2.419 20 30 BEEDMO C#CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362617587 533143783 /nfs/dbraw/zinc/14/37/83/533143783.db2.gz RIXCFMPAHCZYNE-UHFFFAOYSA-N 1 1 222.291 2.281 20 30 BEEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000495835278 385765532 /nfs/dbraw/zinc/76/55/32/385765532.db2.gz FMNNKYLUGNDWEF-LBPRGKRZSA-N 1 1 240.347 2.163 20 30 BEEDMO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)C1CCCC1 ZINC000188563183 385769628 /nfs/dbraw/zinc/76/96/28/385769628.db2.gz BJLFJJZZUZYKOM-JSGCOSHPSA-N 1 1 221.344 2.432 20 30 BEEDMO C=CCCC[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000309655260 385771288 /nfs/dbraw/zinc/77/12/88/385771288.db2.gz VHYUTKWQHLFEMR-CYBMUJFWSA-N 1 1 210.365 2.417 20 30 BEEDMO CC[C@]1(C)COCC[N@H+]1C[C@H](C)CCC#N ZINC000602614707 385808642 /nfs/dbraw/zinc/80/86/42/385808642.db2.gz GKTWHVGQLAGFNQ-CHWSQXEVSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@@H]1C[N@H+](CC2(C)CCC2)C[C@H](C)N1CC#N ZINC000602853769 385827630 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CN(CC[N@@H+](C)CCCC(C)(C)C#N)C1CC1 ZINC000186762785 387132660 /nfs/dbraw/zinc/13/26/60/387132660.db2.gz HTXUUEAMTIOJGU-UHFFFAOYSA-N 1 1 237.391 2.342 20 30 BEEDMO CN(CCCC(C)(C)C#N)CC[N@H+](C)C1CC1 ZINC000186762785 387132666 /nfs/dbraw/zinc/13/26/66/387132666.db2.gz HTXUUEAMTIOJGU-UHFFFAOYSA-N 1 1 237.391 2.342 20 30 BEEDMO CN(CCCC(C)(C)C#N)CC[N@@H+](C)C1CC1 ZINC000186762785 387132672 /nfs/dbraw/zinc/13/26/72/387132672.db2.gz HTXUUEAMTIOJGU-UHFFFAOYSA-N 1 1 237.391 2.342 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000571970928 387212862 /nfs/dbraw/zinc/21/28/62/387212862.db2.gz WVLPBSKIRUEMGK-ZDUSSCGKSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000571970928 387212864 /nfs/dbraw/zinc/21/28/64/387212864.db2.gz WVLPBSKIRUEMGK-ZDUSSCGKSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000424652534 387235656 /nfs/dbraw/zinc/23/56/56/387235656.db2.gz QSVGUWFLMWLHTF-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000572119185 387239417 /nfs/dbraw/zinc/23/94/17/387239417.db2.gz XWWDXSNAZNWAHC-HUUCEWRRSA-N 1 1 246.354 2.198 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cncnc1 ZINC000336418111 387244202 /nfs/dbraw/zinc/24/42/02/387244202.db2.gz ZUPJJHFANUHSNQ-GFCCVEGCSA-N 1 1 203.289 2.017 20 30 BEEDMO CCN(CCC#N)CC[C@H]1CCCC[N@H+]1C ZINC000230202598 387246846 /nfs/dbraw/zinc/24/68/46/387246846.db2.gz RWLBTPXPLVUPJK-CYBMUJFWSA-N 1 1 223.364 2.096 20 30 BEEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229750892 387195676 /nfs/dbraw/zinc/19/56/76/387195676.db2.gz YYPMFHSFHMHELS-GFCCVEGCSA-N 1 1 248.301 2.166 20 30 BEEDMO CCN1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459730059 387274949 /nfs/dbraw/zinc/27/49/49/387274949.db2.gz LGTLJSQJFPNEMY-QWHCGFSZSA-N 1 1 237.391 2.246 20 30 BEEDMO CC(=O)Nc1ccccc1C[NH2+]CC(C)(C)C#N ZINC000168925363 387370811 /nfs/dbraw/zinc/37/08/11/387370811.db2.gz KRDIHHABBRQAKI-UHFFFAOYSA-N 1 1 245.326 2.284 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@H]1O ZINC000352661764 387425189 /nfs/dbraw/zinc/42/51/89/387425189.db2.gz UZAMJOYHQSAXBO-VXGBXAGGSA-N 1 1 224.348 2.162 20 30 BEEDMO C#CCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000270551900 387434538 /nfs/dbraw/zinc/43/45/38/387434538.db2.gz URFGBFDNZYPLOE-INIZCTEOSA-N 1 1 243.350 2.382 20 30 BEEDMO C#CCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000273362454 387456257 /nfs/dbraw/zinc/45/62/57/387456257.db2.gz ATUXBCDQSCBTQM-INIZCTEOSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264397286 387386902 /nfs/dbraw/zinc/38/69/02/387386902.db2.gz BZZFYCHMKJGNHE-LLVKDONJSA-N 1 1 203.260 2.248 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000264060161 387388952 /nfs/dbraw/zinc/38/89/52/387388952.db2.gz XLQSAOLUQZQIBC-ZDUSSCGKSA-N 1 1 205.301 2.228 20 30 BEEDMO C#CC[N@@H+](CC)CCc1nc2ccccc2n1C ZINC000267250332 387407566 /nfs/dbraw/zinc/40/75/66/387407566.db2.gz GMQGYMSHDBGRIH-UHFFFAOYSA-N 1 1 241.338 2.071 20 30 BEEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000424768727 387412730 /nfs/dbraw/zinc/41/27/30/387412730.db2.gz XSKAHWTYTCOESG-VXGBXAGGSA-N 1 1 238.375 2.188 20 30 BEEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268036547 387413504 /nfs/dbraw/zinc/41/35/04/387413504.db2.gz OAPHXXUNQWPQDQ-GFCCVEGCSA-N 1 1 203.260 2.248 20 30 BEEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)ccc1C#N ZINC000516529445 387516989 /nfs/dbraw/zinc/51/69/89/387516989.db2.gz VUKDLPHKMSEOGI-UHFFFAOYSA-N 1 1 225.295 2.260 20 30 BEEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186202605 387521224 /nfs/dbraw/zinc/52/12/24/387521224.db2.gz IVOWPPMUZOANCQ-OAHLLOKOSA-N 1 1 244.338 2.478 20 30 BEEDMO C=C(C)C[N@H+](CC)CCc1cnn(CC)c1 ZINC000276270589 387522159 /nfs/dbraw/zinc/52/21/59/387522159.db2.gz CTSBXVVEOUDDGI-UHFFFAOYSA-N 1 1 221.348 2.344 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCOC1 ZINC000186251414 387536909 /nfs/dbraw/zinc/53/69/09/387536909.db2.gz RQIMCBPUHDEFGP-CQSZACIVSA-N 1 1 244.338 2.335 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000426114661 387539050 /nfs/dbraw/zinc/53/90/50/387539050.db2.gz PVXMIZDHBKATFS-FRRDWIJNSA-N 1 1 211.349 2.434 20 30 BEEDMO C#CC[N@H+](CCOc1cccc(OC)c1)C1CC1 ZINC000274245356 387466014 /nfs/dbraw/zinc/46/60/14/387466014.db2.gz YJNSNVONQRXMNO-UHFFFAOYSA-N 1 1 245.322 2.172 20 30 BEEDMO C=C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000274313546 387472502 /nfs/dbraw/zinc/47/25/02/387472502.db2.gz GPFJCQUEHCAUMJ-NSHDSACASA-N 1 1 203.289 2.190 20 30 BEEDMO C#CC[N@@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000274458453 387478972 /nfs/dbraw/zinc/47/89/72/387478972.db2.gz GVDWFRZOIKNMCH-UHFFFAOYSA-N 1 1 219.259 2.129 20 30 BEEDMO C#CC[N@H+](Cc1cc(O)cc(F)c1)C1CC1 ZINC000274458453 387478980 /nfs/dbraw/zinc/47/89/80/387478980.db2.gz GVDWFRZOIKNMCH-UHFFFAOYSA-N 1 1 219.259 2.129 20 30 BEEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1(CO)CCC1 ZINC000292112000 387489046 /nfs/dbraw/zinc/48/90/46/387489046.db2.gz JDSQDIMPHIWXTQ-UHFFFAOYSA-N 1 1 248.301 2.044 20 30 BEEDMO CC1=C[C@@H](C)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430267120 387603029 /nfs/dbraw/zinc/60/30/29/387603029.db2.gz JBECMHRGIWFHHN-DGCLKSJQSA-N 1 1 217.316 2.328 20 30 BEEDMO CC1=C[C@@H](C)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430267120 387603033 /nfs/dbraw/zinc/60/30/33/387603033.db2.gz JBECMHRGIWFHHN-DGCLKSJQSA-N 1 1 217.316 2.328 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)CCNc1nccc(C)c1C#N ZINC000230077990 387619046 /nfs/dbraw/zinc/61/90/46/387619046.db2.gz TVYYJWOKKGQTMV-GFCCVEGCSA-N 1 1 246.358 2.404 20 30 BEEDMO C[N@@H+](CC1(C#N)CC1)CC1(O)CCCCCC1 ZINC000426257815 387553000 /nfs/dbraw/zinc/55/30/00/387553000.db2.gz RIJIICFWXRGKEZ-UHFFFAOYSA-N 1 1 236.359 2.307 20 30 BEEDMO C=C(C)C[N@@H+](CCOCCO)Cc1ccccc1 ZINC000279284232 387563519 /nfs/dbraw/zinc/56/35/19/387563519.db2.gz KKRGXTMEHPBLQN-UHFFFAOYSA-N 1 1 249.354 2.074 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000426528363 387578063 /nfs/dbraw/zinc/57/80/63/387578063.db2.gz ZAKWQJAPVZPIKH-ZDUSSCGKSA-N 1 1 211.349 2.437 20 30 BEEDMO C=CCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451903147 387674660 /nfs/dbraw/zinc/67/46/60/387674660.db2.gz PKXJVZNEOGUXBE-CYBMUJFWSA-N 1 1 209.333 2.455 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](CO)(COC)C1 ZINC000451939911 387682688 /nfs/dbraw/zinc/68/26/88/387682688.db2.gz WXRDCLHPQWWJIE-KBPBESRZSA-N 1 1 241.375 2.062 20 30 BEEDMO C=CCOCC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451972084 387689460 /nfs/dbraw/zinc/68/94/60/387689460.db2.gz MHJZJRNJRATSBB-CYBMUJFWSA-N 1 1 241.400 2.408 20 30 BEEDMO CC(C)[N@H+]1CC[C@H](N(C)CC2(C#N)CCC2)C1 ZINC000452126800 387748335 /nfs/dbraw/zinc/74/83/35/387748335.db2.gz ZECAQMSPRIMDMK-ZDUSSCGKSA-N 1 1 235.375 2.095 20 30 BEEDMO COC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000452040551 387708277 /nfs/dbraw/zinc/70/82/77/387708277.db2.gz QPRCQUZMAITXLC-GFCCVEGCSA-N 1 1 222.332 2.181 20 30 BEEDMO COC[C@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000452075904 387728164 /nfs/dbraw/zinc/72/81/64/387728164.db2.gz DQDNCBRKBRPQQT-ZDUSSCGKSA-N 1 1 224.348 2.429 20 30 BEEDMO CS[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000294155578 387770383 /nfs/dbraw/zinc/77/03/83/387770383.db2.gz ALZRDWGYYHLTEL-ZDUSSCGKSA-N 1 1 232.352 2.496 20 30 BEEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC000611080259 387775939 /nfs/dbraw/zinc/77/59/39/387775939.db2.gz SEXXFDPSCVFBNR-QWHCGFSZSA-N 1 1 241.400 2.242 20 30 BEEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC000611080260 387776245 /nfs/dbraw/zinc/77/62/45/387776245.db2.gz SEXXFDPSCVFBNR-STQMWFEESA-N 1 1 241.400 2.242 20 30 BEEDMO CC(C)N(CC[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000442634363 387810563 /nfs/dbraw/zinc/81/05/63/387810563.db2.gz MNHDVFWMLNPHLO-UONOGXRCSA-N 1 1 237.391 2.387 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000353209625 387758954 /nfs/dbraw/zinc/75/89/54/387758954.db2.gz ZRSKCWVGRYHUPB-SNVBAGLBSA-N 1 1 236.290 2.164 20 30 BEEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000564080297 387821159 /nfs/dbraw/zinc/82/11/59/387821159.db2.gz CGRUNAGPECHVIP-AWEZNQCLSA-N 1 1 242.322 2.443 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000564080297 387821163 /nfs/dbraw/zinc/82/11/63/387821163.db2.gz CGRUNAGPECHVIP-AWEZNQCLSA-N 1 1 242.322 2.443 20 30 BEEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCOC1 ZINC000160966491 387839042 /nfs/dbraw/zinc/83/90/42/387839042.db2.gz NVPULYVAHDOLME-LLVKDONJSA-N 1 1 248.301 2.166 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866591 387867314 /nfs/dbraw/zinc/86/73/14/387867314.db2.gz XUDPSKZKIOLMKQ-SNVBAGLBSA-N 1 1 225.723 2.342 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866591 387867317 /nfs/dbraw/zinc/86/73/17/387867317.db2.gz XUDPSKZKIOLMKQ-SNVBAGLBSA-N 1 1 225.723 2.342 20 30 BEEDMO C[C@@H](NCC1CCC(C#N)CC1)[C@H]1CCC[NH2+]1 ZINC000423108726 387893894 /nfs/dbraw/zinc/89/38/94/387893894.db2.gz UFVPMODKJUAYSQ-BLYZHGLHSA-N 1 1 235.375 2.046 20 30 BEEDMO CC#CC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398503 387906796 /nfs/dbraw/zinc/90/67/96/387906796.db2.gz KBVOFIKKXIRVPB-SJCJKPOMSA-N 1 1 249.379 2.440 20 30 BEEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175398503 387906800 /nfs/dbraw/zinc/90/68/00/387906800.db2.gz KBVOFIKKXIRVPB-SJCJKPOMSA-N 1 1 249.379 2.440 20 30 BEEDMO CC[C@H](C[NH2+]CCC#N)Oc1ccccc1F ZINC000514669230 387912879 /nfs/dbraw/zinc/91/28/79/387912879.db2.gz WXEYKNCCIDWCFC-LLVKDONJSA-N 1 1 236.290 2.486 20 30 BEEDMO C=CC(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1N ZINC000423155105 387933653 /nfs/dbraw/zinc/93/36/53/387933653.db2.gz PYGAGVQGGKRVIA-VXGBXAGGSA-N 1 1 210.365 2.448 20 30 BEEDMO CC[N@@H+](CCNCc1ccc(C#N)cc1)C(C)C ZINC000102429604 387922578 /nfs/dbraw/zinc/92/25/78/387922578.db2.gz SNVOEZPFOOXSNP-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000102429604 387922581 /nfs/dbraw/zinc/92/25/81/387922581.db2.gz SNVOEZPFOOXSNP-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO C[N@@H+](CCCCC#N)C[C@@H]1CCCC[C@H]1O ZINC000245533197 387955736 /nfs/dbraw/zinc/95/57/36/387955736.db2.gz DITDZWVYEZBYJA-QWHCGFSZSA-N 1 1 224.348 2.163 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC001645445341 1172667423 /nfs/dbraw/zinc/66/74/23/1172667423.db2.gz PQEZVDBGUWCHMD-KBPBESRZSA-N 1 1 223.360 2.273 20 30 BEEDMO COC[C@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172492224 974840105 /nfs/dbraw/zinc/84/01/05/974840105.db2.gz JPBLWTGXDFXZMX-VXGBXAGGSA-N 1 1 210.321 2.180 20 30 BEEDMO C=CCOCC[N@H+](C)Cc1cccs1 ZINC000338896189 135046881 /nfs/dbraw/zinc/04/68/81/135046881.db2.gz WFTKHJDJBJDWAG-UHFFFAOYSA-N 1 1 211.330 2.383 20 30 BEEDMO CCSCC[C@H](C)[N@@H+](C)CCOCCC#N ZINC000339041097 135054836 /nfs/dbraw/zinc/05/48/36/135054836.db2.gz VQOFRCUOJUYLCY-LBPRGKRZSA-N 1 1 244.404 2.380 20 30 BEEDMO N#CCCC[C@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000424340558 387982670 /nfs/dbraw/zinc/98/26/70/387982670.db2.gz SWPJROVLKMSBKS-JTQLQIEISA-N 1 1 234.303 2.421 20 30 BEEDMO C=CCOCCC[N@H+]1CCCO[C@H](CC)C1 ZINC000439473519 387999936 /nfs/dbraw/zinc/99/99/36/387999936.db2.gz AONGFYCVIPGVLS-CYBMUJFWSA-N 1 1 227.348 2.080 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000246042303 388004288 /nfs/dbraw/zinc/00/42/88/388004288.db2.gz RZVGFMKUWDDQMR-ZFWWWQNUSA-N 1 1 248.370 2.489 20 30 BEEDMO C=CCCCC[C@H](C)NC[C@H]1CCC[NH2+]1 ZINC000423240429 388024029 /nfs/dbraw/zinc/02/40/29/388024029.db2.gz TYMUMHWGFVKPGJ-QWHCGFSZSA-N 1 1 210.365 2.463 20 30 BEEDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289820 388035929 /nfs/dbraw/zinc/03/59/29/388035929.db2.gz JFVIIJCVCJFFHA-CAEXGNQWSA-N 1 1 249.402 2.387 20 30 BEEDMO CC#CC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160503701 388072466 /nfs/dbraw/zinc/07/24/66/388072466.db2.gz VXOSOPWDNZECTE-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C=CC[C@H](C)Nc1cc(C)[nH+]c(CC)n1 ZINC000336658071 388073895 /nfs/dbraw/zinc/07/38/95/388073895.db2.gz BAXIGFUWMPIRCB-VIFPVBQESA-N 1 1 205.305 2.146 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000117873360 388092173 /nfs/dbraw/zinc/09/21/73/388092173.db2.gz PMTGOQUFYYQJDK-LBPRGKRZSA-N 1 1 240.347 2.163 20 30 BEEDMO C=CCCCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000447799107 388094071 /nfs/dbraw/zinc/09/40/71/388094071.db2.gz FMNULTQTNNMCCE-UHFFFAOYSA-N 1 1 243.314 2.349 20 30 BEEDMO CC#CCC[N@@H+](CCOC)Cc1cncs1 ZINC000447835440 388097127 /nfs/dbraw/zinc/09/71/27/388097127.db2.gz UBTMSRYOYQBPPR-UHFFFAOYSA-N 1 1 238.356 2.005 20 30 BEEDMO CC#CCC[N@H+](CCOC)Cc1cncs1 ZINC000447835440 388097130 /nfs/dbraw/zinc/09/71/30/388097130.db2.gz UBTMSRYOYQBPPR-UHFFFAOYSA-N 1 1 238.356 2.005 20 30 BEEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CC)CO)cc1 ZINC000449378495 388187623 /nfs/dbraw/zinc/18/76/23/388187623.db2.gz WZQFHWOWGDZJSB-AWEZNQCLSA-N 1 1 249.354 2.454 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1c(C)nnn1CC ZINC000449001146 388127100 /nfs/dbraw/zinc/12/71/00/388127100.db2.gz BXAJKFCVDXEBIY-UHFFFAOYSA-N 1 1 222.336 2.004 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1c(C)nnn1CC ZINC000449001146 388127102 /nfs/dbraw/zinc/12/71/02/388127102.db2.gz BXAJKFCVDXEBIY-UHFFFAOYSA-N 1 1 222.336 2.004 20 30 BEEDMO CCN1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449089072 388140776 /nfs/dbraw/zinc/14/07/76/388140776.db2.gz IVTHOVCJDYQEOG-NFOMZHRRSA-N 1 1 249.402 2.390 20 30 BEEDMO C=CCC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000449655874 388248700 /nfs/dbraw/zinc/24/87/00/388248700.db2.gz ICXJPBBDLIFESL-SRVKXCTJSA-N 1 1 225.332 2.130 20 30 BEEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000490778841 388254514 /nfs/dbraw/zinc/25/45/14/388254514.db2.gz MLKGBXNESVZVHE-ZDUSSCGKSA-N 1 1 244.338 2.277 20 30 BEEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000490778841 388254515 /nfs/dbraw/zinc/25/45/15/388254515.db2.gz MLKGBXNESVZVHE-ZDUSSCGKSA-N 1 1 244.338 2.277 20 30 BEEDMO C#CC[N@@H+](C[C@H]1CCCOC1)C1CCCC1 ZINC000490821268 388255791 /nfs/dbraw/zinc/25/57/91/388255791.db2.gz SYKLNGQCQUHRGT-CYBMUJFWSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cccs1 ZINC000490872043 388257623 /nfs/dbraw/zinc/25/76/23/388257623.db2.gz DMOAALNOMJYWRI-NSHDSACASA-N 1 1 249.335 2.003 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccs1 ZINC000490872043 388257625 /nfs/dbraw/zinc/25/76/25/388257625.db2.gz DMOAALNOMJYWRI-NSHDSACASA-N 1 1 249.335 2.003 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCSC1 ZINC000037174875 388190588 /nfs/dbraw/zinc/19/05/88/388190588.db2.gz XLILHGRUWKPHIF-CYBMUJFWSA-N 1 1 232.352 2.496 20 30 BEEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCSC1 ZINC000037174881 388191041 /nfs/dbraw/zinc/19/10/41/388191041.db2.gz YEQJNYIUWDYDFB-CYBMUJFWSA-N 1 1 232.352 2.496 20 30 BEEDMO C=C[C@@H]1CCCCN1C(=O)C[N@H+](CC)C1CC1 ZINC000488818780 388195817 /nfs/dbraw/zinc/19/58/17/388195817.db2.gz RLQKQHQCKNKSCN-GFCCVEGCSA-N 1 1 236.359 2.038 20 30 BEEDMO C#CC[N@H+](Cc1ccnn1C)C1CCCCC1 ZINC000490899361 388258700 /nfs/dbraw/zinc/25/87/00/388258700.db2.gz OPKILBAYMORSHH-UHFFFAOYSA-N 1 1 231.343 2.188 20 30 BEEDMO C#CC[N@@H+](CC)Cc1c[nH]nc1C(C)(C)C ZINC000490897710 388258721 /nfs/dbraw/zinc/25/87/21/388258721.db2.gz DWSOGCJHSZJENY-UHFFFAOYSA-N 1 1 219.332 2.162 20 30 BEEDMO C#CC[N@H+](CC)Cc1c[nH]nc1C(C)(C)C ZINC000490897710 388258722 /nfs/dbraw/zinc/25/87/22/388258722.db2.gz DWSOGCJHSZJENY-UHFFFAOYSA-N 1 1 219.332 2.162 20 30 BEEDMO C=CCCCCC[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000488974644 388200009 /nfs/dbraw/zinc/20/00/09/388200009.db2.gz BPDZZYLWCZVDFE-BETUJISGSA-N 1 1 227.348 2.078 20 30 BEEDMO C=C(C)CC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000449473311 388213577 /nfs/dbraw/zinc/21/35/77/388213577.db2.gz HPHVJUDNMCAKRI-QWHCGFSZSA-N 1 1 210.365 2.273 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000489450010 388214551 /nfs/dbraw/zinc/21/45/51/388214551.db2.gz VRBCTNQGXRJXNZ-CYBMUJFWSA-N 1 1 236.359 2.086 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCC1 ZINC000489450010 388214553 /nfs/dbraw/zinc/21/45/53/388214553.db2.gz VRBCTNQGXRJXNZ-CYBMUJFWSA-N 1 1 236.359 2.086 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000489449106 388214683 /nfs/dbraw/zinc/21/46/83/388214683.db2.gz NMYHFQWUHBCVGB-AWEZNQCLSA-N 1 1 244.338 2.326 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCCCCC ZINC000489444638 388215185 /nfs/dbraw/zinc/21/51/85/388215185.db2.gz DXOHGAHNZCYREB-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)CC ZINC000489471456 388216972 /nfs/dbraw/zinc/21/69/72/388216972.db2.gz FYKJNOLOQUZUTH-LBPRGKRZSA-N 1 1 238.375 2.332 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)NCCCC ZINC000489476179 388217838 /nfs/dbraw/zinc/21/78/38/388217838.db2.gz MQMHASQLYZKVOH-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nccn1CC ZINC000489492652 388218105 /nfs/dbraw/zinc/21/81/05/388218105.db2.gz QZDZWJKISRHGAW-GFCCVEGCSA-N 1 1 219.332 2.444 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nccn1CC ZINC000489492652 388218107 /nfs/dbraw/zinc/21/81/07/388218107.db2.gz QZDZWJKISRHGAW-GFCCVEGCSA-N 1 1 219.332 2.444 20 30 BEEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(CC)n1 ZINC000449517085 388221820 /nfs/dbraw/zinc/22/18/20/388221820.db2.gz DPYKKYPIARFIKR-MNOVXSKESA-N 1 1 238.356 2.139 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC(C)(C)C ZINC000490616949 388242374 /nfs/dbraw/zinc/24/23/74/388242374.db2.gz MWEZJYMRDNJYFE-LBPRGKRZSA-N 1 1 237.343 2.063 20 30 BEEDMO C=CCC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641615 388287216 /nfs/dbraw/zinc/28/72/16/388287216.db2.gz ITTFMEUHQRGUCD-UHFFFAOYSA-N 1 1 233.311 2.466 20 30 BEEDMO C=CCOCCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451653717 388288420 /nfs/dbraw/zinc/28/84/20/388288420.db2.gz NCEVYPXTINEMJS-ZDUSSCGKSA-N 1 1 241.400 2.407 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000491372189 388289373 /nfs/dbraw/zinc/28/93/73/388289373.db2.gz IGNKXRXGUYEFBJ-LBPRGKRZSA-N 1 1 241.338 2.069 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720123 388291588 /nfs/dbraw/zinc/29/15/88/388291588.db2.gz XTGXVNMMUVAIHH-HZSPNIEDSA-N 1 1 236.359 2.163 20 30 BEEDMO C=C(C)CC[N@@H+]1CCN(CC)C[C@H]1CC ZINC000451743976 388292645 /nfs/dbraw/zinc/29/26/45/388292645.db2.gz UZNPXEQMMZLDCT-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000491413910 388293020 /nfs/dbraw/zinc/29/30/20/388293020.db2.gz ABPKLYDNXDFFOV-JTQLQIEISA-N 1 1 249.310 2.082 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000491413910 388293022 /nfs/dbraw/zinc/29/30/22/388293022.db2.gz ABPKLYDNXDFFOV-JTQLQIEISA-N 1 1 249.310 2.082 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780589 388295454 /nfs/dbraw/zinc/29/54/54/388295454.db2.gz NTRXGDPOUACLPX-STQMWFEESA-N 1 1 243.391 2.042 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491453873 388295740 /nfs/dbraw/zinc/29/57/40/388295740.db2.gz UFSLRYSFPHHLOA-QMMMGPOBSA-N 1 1 226.682 2.328 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000491453873 388295741 /nfs/dbraw/zinc/29/57/41/388295741.db2.gz UFSLRYSFPHHLOA-QMMMGPOBSA-N 1 1 226.682 2.328 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1scnc1C1CC1 ZINC000491452590 388295825 /nfs/dbraw/zinc/29/58/25/388295825.db2.gz MBJWRVBBOHKCFJ-VIFPVBQESA-N 1 1 220.341 2.474 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1scnc1C1CC1 ZINC000491452590 388295827 /nfs/dbraw/zinc/29/58/27/388295827.db2.gz MBJWRVBBOHKCFJ-VIFPVBQESA-N 1 1 220.341 2.474 20 30 BEEDMO C#CC[N@H+](CC1(CC)CCOCC1)C1CC1 ZINC000491464038 388296235 /nfs/dbraw/zinc/29/62/35/388296235.db2.gz PTDPDYVOGFUBFO-UHFFFAOYSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[N@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000491475711 388297836 /nfs/dbraw/zinc/29/78/36/388297836.db2.gz ZFQPLSMREBGJJI-OCCSQVGLSA-N 1 1 217.312 2.064 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811519 388297821 /nfs/dbraw/zinc/29/78/21/388297821.db2.gz PDFPEJPJUVDZQG-ZDUSSCGKSA-N 1 1 241.375 2.062 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000491484944 388298104 /nfs/dbraw/zinc/29/81/04/388298104.db2.gz LVNANAAFHQRQLS-SNVBAGLBSA-N 1 1 249.310 2.082 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000491484944 388298105 /nfs/dbraw/zinc/29/81/05/388298105.db2.gz LVNANAAFHQRQLS-SNVBAGLBSA-N 1 1 249.310 2.082 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000491536853 388301808 /nfs/dbraw/zinc/30/18/08/388301808.db2.gz MTKFTMALGGFCKN-LBPRGKRZSA-N 1 1 212.296 2.320 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000491535710 388302047 /nfs/dbraw/zinc/30/20/47/388302047.db2.gz FBQWPTBYRXDYCT-SNVBAGLBSA-N 1 1 218.256 2.048 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCCc1cnccc1C ZINC000491618239 388305143 /nfs/dbraw/zinc/30/51/43/388305143.db2.gz CPHTWTSYZODPLI-ZDUSSCGKSA-N 1 1 216.328 2.276 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000491666543 388309089 /nfs/dbraw/zinc/30/90/89/388309089.db2.gz WRWSMMBGWKRMNH-VXGBXAGGSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H](O)C1 ZINC000491701758 388312716 /nfs/dbraw/zinc/31/27/16/388312716.db2.gz VDKRDFGQZMTRRX-OTVXOJSOSA-N 1 1 247.313 2.032 20 30 BEEDMO C#CC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000491710993 388313761 /nfs/dbraw/zinc/31/37/61/388313761.db2.gz VQBAUEDDHUMVDH-LLVKDONJSA-N 1 1 205.276 2.322 20 30 BEEDMO C#CC[N@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000491710470 388313817 /nfs/dbraw/zinc/31/38/17/388313817.db2.gz SNUXOAZVNJQREN-QMMMGPOBSA-N 1 1 206.116 2.135 20 30 BEEDMO C#CC[N@H+](CCC[C@@H](C)O)Cc1ccc(F)cc1 ZINC000491713338 388313986 /nfs/dbraw/zinc/31/39/86/388313986.db2.gz ZZKBTVOLXWOOMW-CYBMUJFWSA-N 1 1 249.329 2.422 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccn(CCC)c1 ZINC000491772094 388319320 /nfs/dbraw/zinc/31/93/20/388319320.db2.gz SYLFGILHAQCTBX-UHFFFAOYSA-N 1 1 204.317 2.353 20 30 BEEDMO C#CC[N@@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000491802620 388321506 /nfs/dbraw/zinc/32/15/06/388321506.db2.gz GNBDYJHJDUOEKW-UHFFFAOYSA-N 1 1 248.301 2.028 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000491802803 388321682 /nfs/dbraw/zinc/32/16/82/388321682.db2.gz HBAJDTFKTZOMAE-SNVBAGLBSA-N 1 1 243.310 2.432 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cncc(C)c1 ZINC000491816451 388323097 /nfs/dbraw/zinc/32/30/97/388323097.db2.gz WTIJWOZEEHNNOI-UHFFFAOYSA-N 1 1 202.301 2.234 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@H](SC)C1 ZINC000451330185 388262972 /nfs/dbraw/zinc/26/29/72/388262972.db2.gz ZGVGKGGIVKNGHZ-NSHDSACASA-N 1 1 215.362 2.016 20 30 BEEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451346890 388264189 /nfs/dbraw/zinc/26/41/89/388264189.db2.gz SNDZULMCYFVRSH-MJBXVCDLSA-N 1 1 248.370 2.306 20 30 BEEDMO CC#CC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367186 388266229 /nfs/dbraw/zinc/26/62/29/388266229.db2.gz JQAAVSGDSGTBEJ-RFGFWPKPSA-N 1 1 201.313 2.154 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000491072593 388267756 /nfs/dbraw/zinc/26/77/56/388267756.db2.gz UCJCCUSPUNIOHJ-LBPRGKRZSA-N 1 1 245.322 2.222 20 30 BEEDMO C#CC[N@H+](CC)CCC(C)(C)CC(=O)OCC ZINC000491097092 388269420 /nfs/dbraw/zinc/26/94/20/388269420.db2.gz ZCPCSUVIJBNNKB-UHFFFAOYSA-N 1 1 239.359 2.311 20 30 BEEDMO Cc1ccccc1O[C@@H](C)C[NH2+]CCC#N ZINC000518964779 256639635 /nfs/dbraw/zinc/63/96/35/256639635.db2.gz DSPBDRHOELMNBE-LBPRGKRZSA-N 1 1 218.300 2.266 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000042240482 388274710 /nfs/dbraw/zinc/27/47/10/388274710.db2.gz CWFMQJLRKHDBFP-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO C#CC[N@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000491181384 388274946 /nfs/dbraw/zinc/27/49/46/388274946.db2.gz SPCBDVILSFFVPE-UHFFFAOYSA-N 1 1 231.343 2.475 20 30 BEEDMO C#CC[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000491181384 388274948 /nfs/dbraw/zinc/27/49/48/388274948.db2.gz SPCBDVILSFFVPE-UHFFFAOYSA-N 1 1 231.343 2.475 20 30 BEEDMO Cc1ccccc1O[C@H](C)C[NH2+]CCC#N ZINC000518964773 256639653 /nfs/dbraw/zinc/63/96/53/256639653.db2.gz DSPBDRHOELMNBE-GFCCVEGCSA-N 1 1 218.300 2.266 20 30 BEEDMO C#CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000491192473 388275937 /nfs/dbraw/zinc/27/59/37/388275937.db2.gz OTKMDYRXSYXTSX-KBPBESRZSA-N 1 1 231.339 2.106 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451522750 388278453 /nfs/dbraw/zinc/27/84/53/388278453.db2.gz BUFPQWZGVMYHOT-UONOGXRCSA-N 1 1 241.375 2.326 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451522751 388278672 /nfs/dbraw/zinc/27/86/72/388278672.db2.gz BUFPQWZGVMYHOT-ZIAGYGMSSA-N 1 1 241.375 2.326 20 30 BEEDMO C#CC[N@H+](CC)CC1(CC)CCOCC1 ZINC000491232129 388278753 /nfs/dbraw/zinc/27/87/53/388278753.db2.gz YNKGCLBFTDRWSL-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CC[N@H+](CC[C@@H](C)O)Cc1ccc(F)cc1 ZINC000491251863 388279725 /nfs/dbraw/zinc/27/97/25/388279725.db2.gz CSIZEERYJXPJAV-GFCCVEGCSA-N 1 1 235.302 2.032 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000491254287 388280035 /nfs/dbraw/zinc/28/00/35/388280035.db2.gz RUAGAEGZGATSSU-GFCCVEGCSA-N 1 1 231.343 2.452 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000491254287 388280038 /nfs/dbraw/zinc/28/00/38/388280038.db2.gz RUAGAEGZGATSSU-GFCCVEGCSA-N 1 1 231.343 2.452 20 30 BEEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492438201 388344348 /nfs/dbraw/zinc/34/43/48/388344348.db2.gz SLKAXBBGAYIZNU-SNVBAGLBSA-N 1 1 228.336 2.017 20 30 BEEDMO CCCCC[N@@H+](CCO)Cc1ccc(C#N)o1 ZINC000271042250 388371452 /nfs/dbraw/zinc/37/14/52/388371452.db2.gz NZZHTNPTXNHOMH-UHFFFAOYSA-N 1 1 236.315 2.136 20 30 BEEDMO C[C@@H]1COCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595387134 388383076 /nfs/dbraw/zinc/38/30/76/388383076.db2.gz OYADKCZCTJABDR-CYBMUJFWSA-N 1 1 244.338 2.212 20 30 BEEDMO Cc1ncsc1C[NH2+]CC(C)(C)C#N ZINC000164671422 388396384 /nfs/dbraw/zinc/39/63/84/388396384.db2.gz ULSLPZJCRJZUAL-UHFFFAOYSA-N 1 1 209.318 2.091 20 30 BEEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(C)c1 ZINC000649251912 388470448 /nfs/dbraw/zinc/47/04/48/388470448.db2.gz GTBCLUBHTMHVHS-AWEZNQCLSA-N 1 1 219.328 2.364 20 30 BEEDMO C=C(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648866159 388474980 /nfs/dbraw/zinc/47/49/80/388474980.db2.gz GKVGICWTVVNREH-LLVKDONJSA-N 1 1 235.331 2.089 20 30 BEEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000524811416 388410086 /nfs/dbraw/zinc/41/00/86/388410086.db2.gz JTJVMLSWNOESJR-CHWSQXEVSA-N 1 1 238.375 2.189 20 30 BEEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[NH+](C)C ZINC000271920711 388412334 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YJKZQBGBIULQFC-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@@H]1C ZINC000528430850 388525458 /nfs/dbraw/zinc/52/54/58/388525458.db2.gz LPQNQQAARCTHIF-FRRDWIJNSA-N 1 1 236.359 2.019 20 30 BEEDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528459040 388528435 /nfs/dbraw/zinc/52/84/35/388528435.db2.gz TXTQIHUVYGUTJP-CHWSQXEVSA-N 1 1 236.359 2.163 20 30 BEEDMO C=CC[N@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528466694 388530139 /nfs/dbraw/zinc/53/01/39/388530139.db2.gz VTHFLCQBBYKWJM-ZDUSSCGKSA-N 1 1 236.359 2.038 20 30 BEEDMO C#CC[NH2+][C@H](c1ncc(C)s1)C1CC1 ZINC000185330274 388586533 /nfs/dbraw/zinc/58/65/33/388586533.db2.gz HQHOLDSGNLJDNC-JTQLQIEISA-N 1 1 206.314 2.125 20 30 BEEDMO CC[N@H+](C)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000054110485 388593177 /nfs/dbraw/zinc/59/31/77/388593177.db2.gz YTNNVWBJQKZFJX-LBPRGKRZSA-N 1 1 231.343 2.161 20 30 BEEDMO CC[N@@H+](C)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000054110485 388593179 /nfs/dbraw/zinc/59/31/79/388593179.db2.gz YTNNVWBJQKZFJX-LBPRGKRZSA-N 1 1 231.343 2.161 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000649307566 388593593 /nfs/dbraw/zinc/59/35/93/388593593.db2.gz AXJSKUDFDFUTMD-RYUDHWBXSA-N 1 1 221.300 2.006 20 30 BEEDMO Cc1ccnc(N[C@@H]2CC[N@H+](C(C)C)C2)c1C#N ZINC000273278181 388594231 /nfs/dbraw/zinc/59/42/31/388594231.db2.gz CWJNMGLGRYPDIR-GFCCVEGCSA-N 1 1 244.342 2.156 20 30 BEEDMO CCCC[N@@H+](C)CCNc1ccc(C#N)cn1 ZINC000301240236 388609996 /nfs/dbraw/zinc/60/99/96/388609996.db2.gz NXRCJOFMLWCTNC-UHFFFAOYSA-N 1 1 232.331 2.097 20 30 BEEDMO CCCC[N@@H+](C)CCNc1ccc(C#N)nc1 ZINC000301525671 388612696 /nfs/dbraw/zinc/61/26/96/388612696.db2.gz PNTBTIHVEHKJKT-UHFFFAOYSA-N 1 1 232.331 2.097 20 30 BEEDMO N#CCC[N@H+](CCOCC1CC1)CC1CC1 ZINC000081044766 388565493 /nfs/dbraw/zinc/56/54/93/388565493.db2.gz KLLNZORRKWZXKQ-UHFFFAOYSA-N 1 1 222.332 2.039 20 30 BEEDMO N#CCC[N@@H+](CCOCC1CC1)CC1CC1 ZINC000081044766 388565495 /nfs/dbraw/zinc/56/54/95/388565495.db2.gz KLLNZORRKWZXKQ-UHFFFAOYSA-N 1 1 222.332 2.039 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549081389 388572583 /nfs/dbraw/zinc/57/25/83/388572583.db2.gz SONIVRKMPXYPHT-VIFPVBQESA-N 1 1 205.248 2.266 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCCc2sccc2C1 ZINC000649302253 388584369 /nfs/dbraw/zinc/58/43/69/388584369.db2.gz ZEDIIYGXKFURAY-GFCCVEGCSA-N 1 1 237.368 2.433 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081568786 388584442 /nfs/dbraw/zinc/58/44/42/388584442.db2.gz BRBBWIYYJFXPER-CYBMUJFWSA-N 1 1 210.365 2.226 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081568786 388584443 /nfs/dbraw/zinc/58/44/43/388584443.db2.gz BRBBWIYYJFXPER-CYBMUJFWSA-N 1 1 210.365 2.226 20 30 BEEDMO C=C(C)CN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081568786 388584445 /nfs/dbraw/zinc/58/44/45/388584445.db2.gz BRBBWIYYJFXPER-CYBMUJFWSA-N 1 1 210.365 2.226 20 30 BEEDMO C=C(C)CN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081568786 388584447 /nfs/dbraw/zinc/58/44/47/388584447.db2.gz BRBBWIYYJFXPER-CYBMUJFWSA-N 1 1 210.365 2.226 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](CO)C1 ZINC000124976288 388666732 /nfs/dbraw/zinc/66/67/32/388666732.db2.gz JOKGPHGOPFBWOJ-LBPRGKRZSA-N 1 1 224.348 2.021 20 30 BEEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000418124232 388674602 /nfs/dbraw/zinc/67/46/02/388674602.db2.gz MCXSMBUQNWJVFI-GRYCIOLGSA-N 1 1 231.343 2.373 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192191225 388675866 /nfs/dbraw/zinc/67/58/66/388675866.db2.gz MRVKCTGEJUOQTH-NWDGAFQWSA-N 1 1 229.389 2.141 20 30 BEEDMO CC[N@H+](CCO[C@@H]1CCCCO1)C[C@H](C)C#N ZINC000248557809 388683234 /nfs/dbraw/zinc/68/32/34/388683234.db2.gz IPSOIEWCZPKCOK-CHWSQXEVSA-N 1 1 240.347 2.011 20 30 BEEDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCCC(C)(C)C#N ZINC000125949655 388683209 /nfs/dbraw/zinc/68/32/09/388683209.db2.gz PBKWBFPPWXWVPN-BDJLRTHQSA-N 1 1 244.404 2.015 20 30 BEEDMO CC[N@@H+](CCO[C@@H]1CCCCO1)C[C@H](C)C#N ZINC000248557809 388683237 /nfs/dbraw/zinc/68/32/37/388683237.db2.gz IPSOIEWCZPKCOK-CHWSQXEVSA-N 1 1 240.347 2.011 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCCC(C)C ZINC000125943404 388683403 /nfs/dbraw/zinc/68/34/03/388683403.db2.gz SLKJIAMMQQRBAO-ZDUSSCGKSA-N 1 1 240.391 2.435 20 30 BEEDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCCC(C)(C)C#N ZINC000125949894 388683624 /nfs/dbraw/zinc/68/36/24/388683624.db2.gz PBKWBFPPWXWVPN-ZBEGNZNMSA-N 1 1 244.404 2.015 20 30 BEEDMO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000358576290 388623932 /nfs/dbraw/zinc/62/39/32/388623932.db2.gz TXHZGPRBWPJUCH-MNOVXSKESA-N 1 1 249.333 2.298 20 30 BEEDMO C=CCCC[N@H+](C)CCOCC(F)F ZINC000189360377 388632526 /nfs/dbraw/zinc/63/25/26/388632526.db2.gz WUZXFVLWDQYQHJ-UHFFFAOYSA-N 1 1 207.264 2.166 20 30 BEEDMO C[C@]1(O)CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000230352569 388636441 /nfs/dbraw/zinc/63/64/41/388636441.db2.gz GKTSJCVMKTXEEN-HNNXBMFYSA-N 1 1 244.338 2.295 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCOC1 ZINC000111162680 388655969 /nfs/dbraw/zinc/65/59/69/388655969.db2.gz UIXRJUYOIGVMPQ-HNNXBMFYSA-N 1 1 244.338 2.417 20 30 BEEDMO N#Cc1ccc(N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000252672833 388658819 /nfs/dbraw/zinc/65/88/19/388658819.db2.gz DCXWELBSERQTKD-HNNXBMFYSA-N 1 1 241.338 2.233 20 30 BEEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000093475766 388743322 /nfs/dbraw/zinc/74/33/22/388743322.db2.gz URYMZWIPQFHGEW-UHFFFAOYSA-N 1 1 240.310 2.190 20 30 BEEDMO C[N@H+](CCOCC1CC1)Cc1ccc(C#N)o1 ZINC000093818540 388747051 /nfs/dbraw/zinc/74/70/51/388747051.db2.gz DGFLUNLFLARZTB-UHFFFAOYSA-N 1 1 234.299 2.010 20 30 BEEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C#N)o1 ZINC000093818540 388747055 /nfs/dbraw/zinc/74/70/55/388747055.db2.gz DGFLUNLFLARZTB-UHFFFAOYSA-N 1 1 234.299 2.010 20 30 BEEDMO CCc1ncc(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC000449610228 388750568 /nfs/dbraw/zinc/75/05/68/388750568.db2.gz PWTJXJDIRXKJML-UHFFFAOYSA-N 1 1 241.294 2.398 20 30 BEEDMO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000423270373 388690199 /nfs/dbraw/zinc/69/01/99/388690199.db2.gz HZQFYCFUOHUEDX-NWDGAFQWSA-N 1 1 231.343 2.064 20 30 BEEDMO COC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425548182 388706918 /nfs/dbraw/zinc/70/69/18/388706918.db2.gz XWJMBYBLBWBBIS-LLVKDONJSA-N 1 1 246.310 2.114 20 30 BEEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000193579090 388709261 /nfs/dbraw/zinc/70/92/61/388709261.db2.gz PSSYVECALMUDGK-OLZOCXBDSA-N 1 1 211.349 2.293 20 30 BEEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000068765664 388717204 /nfs/dbraw/zinc/71/72/04/388717204.db2.gz KHXZZMUHZIZYPC-UHFFFAOYSA-N 1 1 215.300 2.328 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249437701 388722283 /nfs/dbraw/zinc/72/22/83/388722283.db2.gz IWLVQVZSPWHCOY-FRRDWIJNSA-N 1 1 238.375 2.045 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249437701 388722284 /nfs/dbraw/zinc/72/22/84/388722284.db2.gz IWLVQVZSPWHCOY-FRRDWIJNSA-N 1 1 238.375 2.045 20 30 BEEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127491783 388723861 /nfs/dbraw/zinc/72/38/61/388723861.db2.gz MOIYMVPBHPYDFY-NSHDSACASA-N 1 1 240.347 2.114 20 30 BEEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000127491783 388723862 /nfs/dbraw/zinc/72/38/62/388723862.db2.gz MOIYMVPBHPYDFY-NSHDSACASA-N 1 1 240.347 2.114 20 30 BEEDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000091772825 388730804 /nfs/dbraw/zinc/73/08/04/388730804.db2.gz UTVDBSRAYVMTME-LLVKDONJSA-N 1 1 236.340 2.231 20 30 BEEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000250230557 388785573 /nfs/dbraw/zinc/78/55/73/388785573.db2.gz JAHHWQIJRNMSEW-HIFRSBDPSA-N 1 1 246.354 2.072 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000250230557 388785575 /nfs/dbraw/zinc/78/55/75/388785575.db2.gz JAHHWQIJRNMSEW-HIFRSBDPSA-N 1 1 246.354 2.072 20 30 BEEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000282309726 388814978 /nfs/dbraw/zinc/81/49/78/388814978.db2.gz MWPFUPNVAZAVEN-QWRGUYRKSA-N 1 1 234.299 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CC1(C(N)=O)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335395391 136092283 /nfs/dbraw/zinc/09/22/83/136092283.db2.gz LKVAMSGZRXIXQE-UHFFFAOYSA-N 1 1 247.273 2.055 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](C#N)C1 ZINC001172499538 974851114 /nfs/dbraw/zinc/85/11/14/974851114.db2.gz DSDDUJDBXMQMHA-NWDGAFQWSA-N 1 1 205.305 2.304 20 30 BEEDMO C#CC[N@H+](CCC(C)(C)C)C1CSC1 ZINC001647549524 1172759198 /nfs/dbraw/zinc/75/91/98/1172759198.db2.gz RDXOUOVEWHMHJS-UHFFFAOYSA-N 1 1 211.374 2.473 20 30 BEEDMO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ncccc1O ZINC000309601519 397866277 /nfs/dbraw/zinc/86/62/77/397866277.db2.gz XSCIHABQWHXVGJ-QWRGUYRKSA-N 1 1 220.316 2.478 20 30 BEEDMO COCc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000271129688 397962847 /nfs/dbraw/zinc/96/28/47/397962847.db2.gz NAYQMUXGQVIHRF-GFCCVEGCSA-N 1 1 232.327 2.424 20 30 BEEDMO COCc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000271129688 397962850 /nfs/dbraw/zinc/96/28/50/397962850.db2.gz NAYQMUXGQVIHRF-GFCCVEGCSA-N 1 1 232.327 2.424 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)[C@@H](C)O1 ZINC000446073899 397991863 /nfs/dbraw/zinc/99/18/63/397991863.db2.gz PVPWAXPMEVTEFN-IJLUTSLNSA-N 1 1 210.321 2.178 20 30 BEEDMO CC[N@H+]1CC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000093492390 398003480 /nfs/dbraw/zinc/00/34/80/398003480.db2.gz SNWYVRNEHVDKRH-LLVKDONJSA-N 1 1 249.383 2.051 20 30 BEEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC000650245666 398006082 /nfs/dbraw/zinc/00/60/82/398006082.db2.gz ATLCJFHVJDTHHI-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@H+](CC)Cc1c(C)cc(OC)nc1C ZINC000490936657 398029416 /nfs/dbraw/zinc/02/94/16/398029416.db2.gz RHLNMPURKMVPBT-UHFFFAOYSA-N 1 1 232.327 2.162 20 30 BEEDMO CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598595600 398031821 /nfs/dbraw/zinc/03/18/21/398031821.db2.gz PFFFYQSMUQBGSS-XQQFMLRXSA-N 1 1 238.375 2.408 20 30 BEEDMO C[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594432 398032059 /nfs/dbraw/zinc/03/20/59/398032059.db2.gz HMGQJKHRMUZLON-AGIUHOORSA-N 1 1 238.375 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/nfs/dbraw/zinc/88/74/40/583887440.db2.gz MKJYVHKLBOXQAQ-UHFFFAOYSA-N 1 1 229.283 2.125 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000897167572 583887441 /nfs/dbraw/zinc/88/74/41/583887441.db2.gz MKJYVHKLBOXQAQ-UHFFFAOYSA-N 1 1 229.283 2.125 20 30 BEEDMO C#CC[N@@H+](Cc1ccnc(F)c1C)C(C)C ZINC000897170926 583889185 /nfs/dbraw/zinc/88/91/85/583889185.db2.gz LPPCQEXOHJOSBP-UHFFFAOYSA-N 1 1 220.291 2.373 20 30 BEEDMO C#Cc1cccnc1NCC[N@@H+]1CCC(C)(C)C1 ZINC000897248355 583902145 /nfs/dbraw/zinc/90/21/45/583902145.db2.gz OBRCPXXZMAQGOP-UHFFFAOYSA-N 1 1 243.354 2.207 20 30 BEEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000872140426 583947694 /nfs/dbraw/zinc/94/76/94/583947694.db2.gz MRHULAIYOBERHW-KLHDSHLOSA-N 1 1 248.414 2.498 20 30 BEEDMO CCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000862355604 583961279 /nfs/dbraw/zinc/96/12/79/583961279.db2.gz LQLJYNFRNOJBSK-GFCCVEGCSA-N 1 1 226.364 2.025 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000862445112 583963124 /nfs/dbraw/zinc/96/31/24/583963124.db2.gz MCYBXPWKRIXGDS-LLVKDONJSA-N 1 1 218.275 2.066 20 30 BEEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897685679 584038805 /nfs/dbraw/zinc/03/88/05/584038805.db2.gz PIWRXVMMSDBPGO-GXTWGEPZSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000899146899 584176854 /nfs/dbraw/zinc/17/68/54/584176854.db2.gz CHYCDYXMPVOFGN-GFCCVEGCSA-N 1 1 238.375 2.282 20 30 BEEDMO C=C1C[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000899900122 584248774 /nfs/dbraw/zinc/24/87/74/584248774.db2.gz IXMZWWBFYVDNET-TZMCWYRMSA-N 1 1 217.312 2.023 20 30 BEEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2C2CCCC2)CC1 ZINC000899912654 584253611 /nfs/dbraw/zinc/25/36/11/584253611.db2.gz MZECBOQOUIBLTG-KBPBESRZSA-N 1 1 248.370 2.306 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC000900012648 584263700 /nfs/dbraw/zinc/26/37/00/584263700.db2.gz VWCKXNOFUGMDTN-VHSXEESVSA-N 1 1 237.303 2.277 20 30 BEEDMO C=C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900585532 584331925 /nfs/dbraw/zinc/33/19/25/584331925.db2.gz SRZMHOMZFGWCHK-KBPBESRZSA-N 1 1 248.370 2.182 20 30 BEEDMO C#CC[C@H](COC)Nc1cc[nH+]c2ccsc21 ZINC000858860343 588978379 /nfs/dbraw/zinc/97/83/79/588978379.db2.gz LZDMKLFPQIOMEK-SNVBAGLBSA-N 1 1 246.335 2.168 20 30 BEEDMO C#CC[C@@H](COC)Nc1cc[nH+]c2ccsc21 ZINC000858860342 588978448 /nfs/dbraw/zinc/97/84/48/588978448.db2.gz LZDMKLFPQIOMEK-JTQLQIEISA-N 1 1 246.335 2.168 20 30 BEEDMO C#CC[C@H](CCOC)Nc1cc(CC)[nH+]c(C)n1 ZINC000858857752 588979363 /nfs/dbraw/zinc/97/93/63/588979363.db2.gz RWDHYKGFBNNHBB-CYBMUJFWSA-N 1 1 247.342 2.188 20 30 BEEDMO CCNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000901279580 584414422 /nfs/dbraw/zinc/41/44/22/584414422.db2.gz VCQPMFSYMRHHBJ-CYBMUJFWSA-N 1 1 245.370 2.494 20 30 BEEDMO CCN=NC1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000901281178 584414693 /nfs/dbraw/zinc/41/46/93/584414693.db2.gz LLKUYPPWTDRJPS-CYBMUJFWSA-N 1 1 245.370 2.494 20 30 BEEDMO C=C(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000901348834 584431006 /nfs/dbraw/zinc/43/10/06/584431006.db2.gz DXCGOMAFXOPWLI-CHWSQXEVSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCC[N@@H+](C)CN1Cc2ccccc2C1=O ZINC000902232381 584542450 /nfs/dbraw/zinc/54/24/50/584542450.db2.gz HQZBRBSMAZLQKL-UHFFFAOYSA-N 1 1 230.311 2.108 20 30 BEEDMO C=CCC[N@H+](C)CN1Cc2ccccc2C1=O ZINC000902232381 584542452 /nfs/dbraw/zinc/54/24/52/584542452.db2.gz HQZBRBSMAZLQKL-UHFFFAOYSA-N 1 1 230.311 2.108 20 30 BEEDMO CC[C@@H]([NH2+]CC1(N)CC1)c1ccc(C#N)cc1 ZINC000902404117 584588707 /nfs/dbraw/zinc/58/87/07/584588707.db2.gz CDQPNLDHMSMCEW-CYBMUJFWSA-N 1 1 229.327 2.090 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859064665 588996510 /nfs/dbraw/zinc/99/65/10/588996510.db2.gz SRWYJMIHMMVTLX-UHFFFAOYSA-N 1 1 227.739 2.472 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)n(C)n1 ZINC000859064665 588996511 /nfs/dbraw/zinc/99/65/11/588996511.db2.gz SRWYJMIHMMVTLX-UHFFFAOYSA-N 1 1 227.739 2.472 20 30 BEEDMO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902473309 584602121 /nfs/dbraw/zinc/60/21/21/584602121.db2.gz XQFMDXNFVZORJR-FVCCEPFGSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@@H](CC)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473309 584602123 /nfs/dbraw/zinc/60/21/23/584602123.db2.gz XQFMDXNFVZORJR-FVCCEPFGSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@@H](CC)N[C@@H]1C[NH2+]CC1(C)C ZINC000902451418 584607181 /nfs/dbraw/zinc/60/71/81/584607181.db2.gz XQNRJOZRESZTRG-VXGBXAGGSA-N 1 1 210.365 2.319 20 30 BEEDMO C=CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC1 ZINC000902471389 584616268 /nfs/dbraw/zinc/61/62/68/584616268.db2.gz OMICHAHENAISLL-REWJHTLYSA-N 1 1 220.360 2.214 20 30 BEEDMO C=CCC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471389 584616269 /nfs/dbraw/zinc/61/62/69/584616269.db2.gz OMICHAHENAISLL-REWJHTLYSA-N 1 1 220.360 2.214 20 30 BEEDMO C#Cc1cccc(C[NH2+]Cc2cn(CC)cn2)c1 ZINC000902586313 584639914 /nfs/dbraw/zinc/63/99/14/584639914.db2.gz VRSBXDJRPNWQHL-UHFFFAOYSA-N 1 1 239.322 2.174 20 30 BEEDMO C=CCCC[N@H+](CC)Cn1cc[nH]c1=S ZINC000902669372 584654141 /nfs/dbraw/zinc/65/41/41/584654141.db2.gz LPUKDEZUTWDOCQ-UHFFFAOYSA-N 1 1 225.361 2.417 20 30 BEEDMO C=CCCC[N@@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000902669859 584654153 /nfs/dbraw/zinc/65/41/53/584654153.db2.gz RYVQLGCUQBCIJD-UHFFFAOYSA-N 1 1 238.291 2.037 20 30 BEEDMO C=CCCC[N@H+](CC)Cn1nccc1[N+](=O)[O-] ZINC000902669859 584654156 /nfs/dbraw/zinc/65/41/56/584654156.db2.gz RYVQLGCUQBCIJD-UHFFFAOYSA-N 1 1 238.291 2.037 20 30 BEEDMO C=CCCC[N@H+](CC)CN1CCC(C)(C)C1=O ZINC000902668688 584654271 /nfs/dbraw/zinc/65/42/71/584654271.db2.gz DDFDJSMHJVSFAX-UHFFFAOYSA-N 1 1 238.375 2.491 20 30 BEEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cncs1 ZINC000903031222 584718176 /nfs/dbraw/zinc/71/81/76/584718176.db2.gz JWEVHUITNBWOMD-SECBINFHSA-N 1 1 221.329 2.488 20 30 BEEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cnn(C)c1 ZINC000903032756 584718327 /nfs/dbraw/zinc/71/83/27/584718327.db2.gz WWGJHMSDHSQDNH-LBPRGKRZSA-N 1 1 232.331 2.155 20 30 BEEDMO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903032539 584718713 /nfs/dbraw/zinc/71/87/13/584718713.db2.gz WIOHNBRVCARNAC-GFCCVEGCSA-N 1 1 244.342 2.081 20 30 BEEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)n(C)n1 ZINC000903035252 584718957 /nfs/dbraw/zinc/71/89/57/584718957.db2.gz MOENKXDNHAUMIA-NSHDSACASA-N 1 1 232.331 2.073 20 30 BEEDMO Cc1cncc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903106474 584728708 /nfs/dbraw/zinc/72/87/08/584728708.db2.gz RDMSODRSABJJNO-LLVKDONJSA-N 1 1 215.300 2.344 20 30 BEEDMO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903222146 584737617 /nfs/dbraw/zinc/73/76/17/584737617.db2.gz WUCHUSSCEZGUMG-QXMXGUDHSA-N 1 1 245.370 2.038 20 30 BEEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2ncccn2)C2CC2)C1 ZINC000903324401 584747334 /nfs/dbraw/zinc/74/73/34/584747334.db2.gz PMQTXACUZYHNNC-WXHSDQCUSA-N 1 1 242.326 2.210 20 30 BEEDMO C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1CN ZINC000903424963 584764959 /nfs/dbraw/zinc/76/49/59/584764959.db2.gz NKOSWRPKSHUWKU-VXGQWTEUSA-N 1 1 249.402 2.376 20 30 BEEDMO C[C@H]([NH3+])CN(C)CCCCC1(C#N)CCC1 ZINC000903774977 584799194 /nfs/dbraw/zinc/79/91/94/584799194.db2.gz DHTNQEDZDXKZDT-LBPRGKRZSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@H](N)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903774977 584799195 /nfs/dbraw/zinc/79/91/95/584799195.db2.gz DHTNQEDZDXKZDT-LBPRGKRZSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@H](N)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903774977 584799197 /nfs/dbraw/zinc/79/91/97/584799197.db2.gz DHTNQEDZDXKZDT-LBPRGKRZSA-N 1 1 223.364 2.130 20 30 BEEDMO CCCCCCCC[N@@H+]1CCNC[C@@H]1COC ZINC000903876375 584816435 /nfs/dbraw/zinc/81/64/35/584816435.db2.gz XPOPYWSWHJZJCA-CQSZACIVSA-N 1 1 242.407 2.267 20 30 BEEDMO CCCCCCCC[N@H+]1CCNC[C@@H]1COC ZINC000903876375 584816436 /nfs/dbraw/zinc/81/64/36/584816436.db2.gz XPOPYWSWHJZJCA-CQSZACIVSA-N 1 1 242.407 2.267 20 30 BEEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903956033 584832022 /nfs/dbraw/zinc/83/20/22/584832022.db2.gz FTKOUTIMWHPKDQ-MNOVXSKESA-N 1 1 232.318 2.176 20 30 BEEDMO C=CCCCCC[N@H+](C)Cc1ccc(N)nn1 ZINC000904321822 584864874 /nfs/dbraw/zinc/86/48/74/584864874.db2.gz HMDCTSDWKRODBQ-UHFFFAOYSA-N 1 1 234.347 2.237 20 30 BEEDMO CC(C)(C)CC[C@@H]([NH3+])CN[C@@H]1CC[C@H](C#N)C1 ZINC000904374961 584874501 /nfs/dbraw/zinc/87/45/01/584874501.db2.gz ZEMHOCJKVAUGMC-YNEHKIRRSA-N 1 1 237.391 2.422 20 30 BEEDMO CC[C@H]1CCCC[C@H]1C=NN1CC[NH+](C)CC1 ZINC000842521833 584898180 /nfs/dbraw/zinc/89/81/80/584898180.db2.gz GBNYPACKNMGIFK-KBPBESRZSA-N 1 1 237.391 2.436 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000828021132 584901580 /nfs/dbraw/zinc/90/15/80/584901580.db2.gz QUTTWKFRMJDTFO-HUUCEWRRSA-N 1 1 231.339 2.240 20 30 BEEDMO C#Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000731867505 584930489 /nfs/dbraw/zinc/93/04/89/584930489.db2.gz VPGOYJBVICQLNP-CQSZACIVSA-N 1 1 242.322 2.091 20 30 BEEDMO C#Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000731867505 584930490 /nfs/dbraw/zinc/93/04/90/584930490.db2.gz VPGOYJBVICQLNP-CQSZACIVSA-N 1 1 242.322 2.091 20 30 BEEDMO C=CC[N@H+](Cc1cccc(OC)n1)C(C)C ZINC000733029389 584942393 /nfs/dbraw/zinc/94/23/93/584942393.db2.gz FUZLTKGKDIEEQB-UHFFFAOYSA-N 1 1 220.316 2.487 20 30 BEEDMO CC[C@H]1CCCC(=NN2CC[NH+](C)CC2)C1 ZINC000734976979 584970721 /nfs/dbraw/zinc/97/07/21/584970721.db2.gz XGSCQZLKPDEBCT-LBPRGKRZSA-N 1 1 223.364 2.190 20 30 BEEDMO Cc1cc(F)ccc1[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000819281447 585000950 /nfs/dbraw/zinc/00/09/50/585000950.db2.gz UPLQAEMYBHVEOZ-CYBMUJFWSA-N 1 1 248.301 2.061 20 30 BEEDMO C[NH+]1CCN(N=C2CCC[C@@H](C3CC3)C2)CC1 ZINC000737416795 585031836 /nfs/dbraw/zinc/03/18/36/585031836.db2.gz UQTDAIJBBYEFGV-CYBMUJFWSA-N 1 1 235.375 2.190 20 30 BEEDMO C=CC[N@H+](CCn1cc(Cl)cn1)C(C)C ZINC000838793380 585068443 /nfs/dbraw/zinc/06/84/43/585068443.db2.gz LZHHMVUZOQVQSV-UHFFFAOYSA-N 1 1 227.739 2.433 20 30 BEEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C1CC1 ZINC000838799562 585069144 /nfs/dbraw/zinc/06/91/44/585069144.db2.gz ARUFCTHZCBGVBR-MRXNPFEDSA-N 1 1 245.366 2.488 20 30 BEEDMO CCOC(=O)CC(C)(C)C[N@H+](C)C[C@@H](C)C#N ZINC000838800311 585069149 /nfs/dbraw/zinc/06/91/49/585069149.db2.gz XKZZCSQGBGMTGA-NSHDSACASA-N 1 1 240.347 2.057 20 30 BEEDMO CCOC(=O)CC(C)(C)C[N@@H+](C)C[C@@H](C)C#N ZINC000838800311 585069150 /nfs/dbraw/zinc/06/91/50/585069150.db2.gz XKZZCSQGBGMTGA-NSHDSACASA-N 1 1 240.347 2.057 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838987293 585084632 /nfs/dbraw/zinc/08/46/32/585084632.db2.gz AMUVLEYUBIJOOE-UHFFFAOYSA-N 1 1 222.719 2.412 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838989708 585084808 /nfs/dbraw/zinc/08/48/08/585084808.db2.gz VMVUZXKMNRINII-UHFFFAOYSA-N 1 1 223.707 2.196 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@H](C)Cc1ccccc1 ZINC000839188799 585097212 /nfs/dbraw/zinc/09/72/12/585097212.db2.gz ITBVDKFQNADBIX-GDBMZVCRSA-N 1 1 243.350 2.199 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@H](C)Cc1ccccc1 ZINC000839188799 585097213 /nfs/dbraw/zinc/09/72/13/585097213.db2.gz ITBVDKFQNADBIX-GDBMZVCRSA-N 1 1 243.350 2.199 20 30 BEEDMO C#CC[NH+](CC#C)[C@H]1CCc2ccc(F)cc21 ZINC000839500583 585105683 /nfs/dbraw/zinc/10/56/83/585105683.db2.gz LMZGQPILQJSJNU-HNNXBMFYSA-N 1 1 227.282 2.381 20 30 BEEDMO CC(C)OCCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000741054788 585109971 /nfs/dbraw/zinc/10/99/71/585109971.db2.gz WZNGXZOKGLGUID-CYBMUJFWSA-N 1 1 237.347 2.177 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCOC1CCCCC1 ZINC000886172933 585111093 /nfs/dbraw/zinc/11/10/93/585111093.db2.gz AEJMJTCOWMUZIM-LBPRGKRZSA-N 1 1 209.333 2.289 20 30 BEEDMO Cc1ccc(N=NC2CC[N@@H+](C)[C@H](C)C2)nc1 ZINC000741463583 585114271 /nfs/dbraw/zinc/11/42/71/585114271.db2.gz HBGSKAIMYXTEHI-LLVKDONJSA-N 1 1 232.331 2.272 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297138 585117771 /nfs/dbraw/zinc/11/77/71/585117771.db2.gz JFSHRUYBQZDFRY-ZIAGYGMSSA-N 1 1 248.370 2.329 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000886366188 585134323 /nfs/dbraw/zinc/13/43/23/585134323.db2.gz ZAMXCGWLXODKON-GFCCVEGCSA-N 1 1 245.297 2.354 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000886366188 585134324 /nfs/dbraw/zinc/13/43/24/585134324.db2.gz ZAMXCGWLXODKON-GFCCVEGCSA-N 1 1 245.297 2.354 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000886365397 585134710 /nfs/dbraw/zinc/13/47/10/585134710.db2.gz HIXUHXZAJYZIHU-MRXNPFEDSA-N 1 1 238.334 2.446 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000886365495 585134949 /nfs/dbraw/zinc/13/49/49/585134949.db2.gz JRQXFMIRTBZUKA-ZIAGYGMSSA-N 1 1 233.355 2.291 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCCCCCCO ZINC000743844379 585139548 /nfs/dbraw/zinc/13/95/48/585139548.db2.gz PIJVJJIJUZBSMD-LBPRGKRZSA-N 1 1 212.337 2.021 20 30 BEEDMO C#CC[N@H+](CC1(C)COC1)C1CCCCC1 ZINC000743843108 585140542 /nfs/dbraw/zinc/14/05/42/585140542.db2.gz QJRUSLGFISMEGY-UHFFFAOYSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CC[N@H+](CCC(=O)OC(C)C)C(C)C ZINC000743841320 585140574 /nfs/dbraw/zinc/14/05/74/585140574.db2.gz IIIQHTFGBCYDQO-UHFFFAOYSA-N 1 1 213.321 2.225 20 30 BEEDMO C#CC[N@H+](CC#CC)CCOc1ccccc1F ZINC000743852188 585140962 /nfs/dbraw/zinc/14/09/62/585140962.db2.gz COMCURMAKGCYEZ-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCOc1ccccc1F ZINC000743852188 585140963 /nfs/dbraw/zinc/14/09/63/585140963.db2.gz COMCURMAKGCYEZ-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000744200586 585146104 /nfs/dbraw/zinc/14/61/04/585146104.db2.gz LHLGYRRUKWKHAQ-CYBMUJFWSA-N 1 1 201.269 2.162 20 30 BEEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCCC#N ZINC000745087672 585156409 /nfs/dbraw/zinc/15/64/09/585156409.db2.gz YSOHIAKOYIQTSL-GFCCVEGCSA-N 1 1 238.331 2.098 20 30 BEEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCCCC#N ZINC000745087672 585156410 /nfs/dbraw/zinc/15/64/10/585156410.db2.gz YSOHIAKOYIQTSL-GFCCVEGCSA-N 1 1 238.331 2.098 20 30 BEEDMO C#CC[N@H+](CC)CCOc1ccc(OCC)cc1 ZINC000746457867 585168401 /nfs/dbraw/zinc/16/84/01/585168401.db2.gz SEZHBGBTRGFUMA-UHFFFAOYSA-N 1 1 247.338 2.419 20 30 BEEDMO CC[N@H+]1CCC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585344 585170253 /nfs/dbraw/zinc/17/02/53/585170253.db2.gz CSMGFUPJQIRWRU-LBPRGKRZSA-N 1 1 247.342 2.316 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585525 585170322 /nfs/dbraw/zinc/17/03/22/585170322.db2.gz GVRXPCKURXNKHK-LBPRGKRZSA-N 1 1 247.342 2.314 20 30 BEEDMO C[C@@H]1CC(=NOCc2cccnc2)C[N@H+]1C1CC1 ZINC000746588143 585170533 /nfs/dbraw/zinc/17/05/33/585170533.db2.gz KUFJIPSUTGRWPW-LLVKDONJSA-N 1 1 245.326 2.211 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000746706178 585172381 /nfs/dbraw/zinc/17/23/81/585172381.db2.gz IMZDJMVGHHQOCE-LLVKDONJSA-N 1 1 244.338 2.472 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000746706178 585172382 /nfs/dbraw/zinc/17/23/82/585172382.db2.gz IMZDJMVGHHQOCE-LLVKDONJSA-N 1 1 244.338 2.472 20 30 BEEDMO N#Cc1cccc(C[NH2+]Cc2cccc(F)n2)c1 ZINC000747926909 585185782 /nfs/dbraw/zinc/18/57/82/585185782.db2.gz ZTHSJRCKXUIYIF-UHFFFAOYSA-N 1 1 241.269 2.382 20 30 BEEDMO C[C@H]1CCC[N@@H+]1CCNCc1cc(C#N)cs1 ZINC000748099157 585187029 /nfs/dbraw/zinc/18/70/29/585187029.db2.gz FZWHDSKDDPFQQH-NSHDSACASA-N 1 1 249.383 2.194 20 30 BEEDMO C[C@H]1CCC[N@H+]1CCNCc1cc(C#N)cs1 ZINC000748099157 585187030 /nfs/dbraw/zinc/18/70/30/585187030.db2.gz FZWHDSKDDPFQQH-NSHDSACASA-N 1 1 249.383 2.194 20 30 BEEDMO C#CC[N@H+](CC)CCOc1ccccc1OCC ZINC000749154602 585200025 /nfs/dbraw/zinc/20/00/25/585200025.db2.gz DPXILGNXAHTUDD-UHFFFAOYSA-N 1 1 247.338 2.419 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cccc(COC)c1 ZINC000749515056 585203289 /nfs/dbraw/zinc/20/32/89/585203289.db2.gz SIHMXBDTGKDXFP-UHFFFAOYSA-N 1 1 241.334 2.292 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1cccc(COC)c1 ZINC000749515056 585203290 /nfs/dbraw/zinc/20/32/90/585203290.db2.gz SIHMXBDTGKDXFP-UHFFFAOYSA-N 1 1 241.334 2.292 20 30 BEEDMO Cc1cc(C[NH2+][C@@H](C)CC#N)ccc1N(C)C ZINC000751148025 585224727 /nfs/dbraw/zinc/22/47/27/585224727.db2.gz MLNIHOJQUGOEBA-LBPRGKRZSA-N 1 1 231.343 2.453 20 30 BEEDMO C[NH+]1CCN(N=C[C@H]2CCCC(C)(C)C2)CC1 ZINC000752713043 585248899 /nfs/dbraw/zinc/24/88/99/585248899.db2.gz JPXHMGXLHZZIBQ-ZDUSSCGKSA-N 1 1 237.391 2.436 20 30 BEEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000752856635 585250731 /nfs/dbraw/zinc/25/07/31/585250731.db2.gz PMCNIQCEXKCPCK-NSHDSACASA-N 1 1 240.734 2.104 20 30 BEEDMO CCCCCCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753806799 585269866 /nfs/dbraw/zinc/26/98/66/585269866.db2.gz MNGSMRVFUIKKNP-BETUJISGSA-N 1 1 229.364 2.302 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000754239365 585280997 /nfs/dbraw/zinc/28/09/97/585280997.db2.gz ZCDXKEJOMNKZJF-OLZOCXBDSA-N 1 1 223.360 2.129 20 30 BEEDMO CC(C)[N@@H+]1CC(=NNCc2ccccc2)[C@@H](C)C1 ZINC000754256926 585281126 /nfs/dbraw/zinc/28/11/26/585281126.db2.gz GIHKNXHRDZSXAT-ZDUSSCGKSA-N 1 1 245.370 2.492 20 30 BEEDMO CC(C)[N@@H+]1CC(N=Nc2ccccn2)[C@H](C)C1 ZINC000754253329 585281154 /nfs/dbraw/zinc/28/11/54/585281154.db2.gz CXFAUPRSXUGRGL-LLVKDONJSA-N 1 1 232.331 2.210 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C[Si](C)(C)C)C1CC1 ZINC000754372696 585283658 /nfs/dbraw/zinc/28/36/58/585283658.db2.gz PXCKDYNVPJCYLJ-JTQLQIEISA-N 1 1 210.397 2.488 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C/C(C)(C)C ZINC000756551617 585320624 /nfs/dbraw/zinc/32/06/24/585320624.db2.gz OTCQFARLTVYNIU-XEHSLEBBSA-N 1 1 249.354 2.230 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)CCC ZINC000756552814 585320941 /nfs/dbraw/zinc/32/09/41/585320941.db2.gz KMXKNQLWPPCTPA-QWHCGFSZSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H](C)C1CC1 ZINC000756556219 585320998 /nfs/dbraw/zinc/32/09/98/585320998.db2.gz SUMJAYRRIRIPJH-TZMCWYRMSA-N 1 1 249.354 2.063 20 30 BEEDMO C=C(Cl)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000839545417 585329890 /nfs/dbraw/zinc/32/98/90/585329890.db2.gz IEKQOTMMFBIUDJ-MNOVXSKESA-N 1 1 231.767 2.468 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000839545417 585329891 /nfs/dbraw/zinc/32/98/91/585329891.db2.gz IEKQOTMMFBIUDJ-MNOVXSKESA-N 1 1 231.767 2.468 20 30 BEEDMO C=C(Cl)C[NH2+][C@@H](CO)c1ccsc1 ZINC000839558300 585330810 /nfs/dbraw/zinc/33/08/10/585330810.db2.gz CFRQHUSIYVDAHY-VIFPVBQESA-N 1 1 217.721 2.124 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000757406413 585335110 /nfs/dbraw/zinc/33/51/10/585335110.db2.gz VOEYMBXOQWBTIS-WDEREUQCSA-N 1 1 215.724 2.240 20 30 BEEDMO C[C@H](C#N)C[NH2+]Cc1cnc2ccccc2c1 ZINC000757907801 585346776 /nfs/dbraw/zinc/34/67/76/585346776.db2.gz PHVUNZJHDIXNBD-LLVKDONJSA-N 1 1 225.295 2.484 20 30 BEEDMO C[N@H+]1CCCC(=NOCC(F)(F)F)CC1 ZINC000758118357 585349515 /nfs/dbraw/zinc/34/95/15/585349515.db2.gz OISUEQQANSMHJI-UHFFFAOYSA-N 1 1 224.226 2.037 20 30 BEEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNC1CC1 ZINC000758128232 585349822 /nfs/dbraw/zinc/34/98/22/585349822.db2.gz WVIRIOFSNARFNW-LBPRGKRZSA-N 1 1 243.354 2.246 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNC1CC1 ZINC000758128232 585349823 /nfs/dbraw/zinc/34/98/23/585349823.db2.gz WVIRIOFSNARFNW-LBPRGKRZSA-N 1 1 243.354 2.246 20 30 BEEDMO CC[N@@H+](Cn1cccc(C#N)c1=O)[C@@H](C)C(C)C ZINC000758198910 585351451 /nfs/dbraw/zinc/35/14/51/585351451.db2.gz XQVUAAFGDDIUBC-LBPRGKRZSA-N 1 1 247.342 2.044 20 30 BEEDMO C#CCCCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000758496172 585356534 /nfs/dbraw/zinc/35/65/34/585356534.db2.gz BVNSMMAQMFQKTK-UHFFFAOYSA-N 1 1 227.311 2.456 20 30 BEEDMO N#Cc1cccc(OC2CC[NH+](CCF)CC2)c1 ZINC000759339415 585368642 /nfs/dbraw/zinc/36/86/42/585368642.db2.gz OWBMLTOJYOGCPB-UHFFFAOYSA-N 1 1 248.301 2.371 20 30 BEEDMO CCCCCC[C@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000759364412 585371242 /nfs/dbraw/zinc/37/12/42/585371242.db2.gz ZMNIHMVZMJPJCF-STQMWFEESA-N 1 1 226.364 2.409 20 30 BEEDMO CCCCCC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000759364412 585371243 /nfs/dbraw/zinc/37/12/43/585371243.db2.gz ZMNIHMVZMJPJCF-STQMWFEESA-N 1 1 226.364 2.409 20 30 BEEDMO C#CCC[N@H+](CCN(CC)CC)CC(C)C ZINC000760842657 585399110 /nfs/dbraw/zinc/39/91/10/585399110.db2.gz CEIOLYACSVLXAE-UHFFFAOYSA-N 1 1 224.392 2.310 20 30 BEEDMO C#CCCN(CC[NH+](CC)CC)CC(C)C ZINC000760842657 585399111 /nfs/dbraw/zinc/39/91/11/585399111.db2.gz CEIOLYACSVLXAE-UHFFFAOYSA-N 1 1 224.392 2.310 20 30 BEEDMO C#CCC[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000760847703 585399769 /nfs/dbraw/zinc/39/97/69/585399769.db2.gz ORMDPMZGIQRCNF-GFCCVEGCSA-N 1 1 217.312 2.278 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000761109014 585409786 /nfs/dbraw/zinc/40/97/86/585409786.db2.gz NCLREOQBECPHLY-UHFFFAOYSA-N 1 1 231.339 2.385 20 30 BEEDMO Cc1ccc(N=NC2C[C@H](C)[N@H+](C)C2)cc1 ZINC000761795363 585418680 /nfs/dbraw/zinc/41/86/80/585418680.db2.gz ZICJSHXNZALNBF-NSHDSACASA-N 1 1 217.316 2.487 20 30 BEEDMO COCC#CC[N@@H+](CCc1ccccc1)C1CC1 ZINC000762918893 585439424 /nfs/dbraw/zinc/43/94/24/585439424.db2.gz QHVBUBUCVJZDAX-UHFFFAOYSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CC[N@H+](Cc1cccc(N(C)C)c1)C1CC1 ZINC000763949250 585457658 /nfs/dbraw/zinc/45/76/58/585457658.db2.gz IFKNYLFQHSWYJE-UHFFFAOYSA-N 1 1 228.339 2.350 20 30 BEEDMO CC(C)[C@H]1CCCCC1=NN1CC[NH+](C)CC1 ZINC000764649613 585470096 /nfs/dbraw/zinc/47/00/96/585470096.db2.gz QYKQNIWFHCXLPV-CYBMUJFWSA-N 1 1 237.391 2.436 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764846749 585475805 /nfs/dbraw/zinc/47/58/05/585475805.db2.gz OYYWILJFVHZFFN-MRVPVSSYSA-N 1 1 238.253 2.281 20 30 BEEDMO Cc1ccnc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765581888 585490248 /nfs/dbraw/zinc/49/02/48/585490248.db2.gz UGJGOEOZDRCGJJ-GFCCVEGCSA-N 1 1 230.315 2.026 20 30 BEEDMO C#CCC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000766266277 585499589 /nfs/dbraw/zinc/49/95/89/585499589.db2.gz JNZPRSRJUQPUKK-UHFFFAOYSA-N 1 1 225.332 2.062 20 30 BEEDMO C#CCC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000766266277 585499590 /nfs/dbraw/zinc/49/95/90/585499590.db2.gz JNZPRSRJUQPUKK-UHFFFAOYSA-N 1 1 225.332 2.062 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000766665922 585504651 /nfs/dbraw/zinc/50/46/51/585504651.db2.gz ZSQSXOLKVFKGNF-LLVKDONJSA-N 1 1 229.323 2.334 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000766665956 585504654 /nfs/dbraw/zinc/50/46/54/585504654.db2.gz LFTQQYUYFIZARS-NSHDSACASA-N 1 1 240.306 2.394 20 30 BEEDMO C#CCCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000766900763 585508964 /nfs/dbraw/zinc/50/89/64/585508964.db2.gz DILJQBWHSATWJB-LBPRGKRZSA-N 1 1 203.285 2.482 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000766902637 585510804 /nfs/dbraw/zinc/51/08/04/585510804.db2.gz MATQZAZWTWPVFH-AWEZNQCLSA-N 1 1 221.344 2.292 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000766905238 585510824 /nfs/dbraw/zinc/51/08/24/585510824.db2.gz IEPHCXTYQOZOHM-ZDUSSCGKSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCCC[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000766906854 585511107 /nfs/dbraw/zinc/51/11/07/585511107.db2.gz WMQWAADFLQFBOA-ZDUSSCGKSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000766927677 585511700 /nfs/dbraw/zinc/51/17/00/585511700.db2.gz XHIIQEBKFPDCLV-HOCLYGCPSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000766927677 585511701 /nfs/dbraw/zinc/51/17/01/585511701.db2.gz XHIIQEBKFPDCLV-HOCLYGCPSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000766927675 585511882 /nfs/dbraw/zinc/51/18/82/585511882.db2.gz XHIIQEBKFPDCLV-GOEBONIOSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000766927675 585511883 /nfs/dbraw/zinc/51/18/83/585511883.db2.gz XHIIQEBKFPDCLV-GOEBONIOSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000766933044 585512248 /nfs/dbraw/zinc/51/22/48/585512248.db2.gz UBGKOAAYERKTLD-ZIAGYGMSSA-N 1 1 221.344 2.148 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCc2c(F)cccc2C1 ZINC000767119713 585514576 /nfs/dbraw/zinc/51/45/76/585514576.db2.gz MYKMOODDNLHZGY-AWEZNQCLSA-N 1 1 235.302 2.121 20 30 BEEDMO C[N@@H+](CCC(=O)C1CC1)Cc1cccc(C#N)c1 ZINC000767363637 585517744 /nfs/dbraw/zinc/51/77/44/585517744.db2.gz STVSVIPMIHQHSB-UHFFFAOYSA-N 1 1 242.322 2.359 20 30 BEEDMO C[NH+]1CCN(N=C2CCCC(C)(C)C2)CC1 ZINC000767742410 585525561 /nfs/dbraw/zinc/52/55/61/585525561.db2.gz AFBWUPSYABMVPK-UHFFFAOYSA-N 1 1 223.364 2.190 20 30 BEEDMO C[C@@H]1CCC[C@H](C=NN2CC[NH+](C)CC2)C1 ZINC000768356799 585536987 /nfs/dbraw/zinc/53/69/87/585536987.db2.gz CBKLMYDCVJSIAY-OLZOCXBDSA-N 1 1 223.364 2.046 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc(COC)cc1 ZINC000769451151 585557189 /nfs/dbraw/zinc/55/71/89/585557189.db2.gz HZKGOTQPPGMKQF-UHFFFAOYSA-N 1 1 241.334 2.292 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(COC)cc1 ZINC000769451151 585557190 /nfs/dbraw/zinc/55/71/90/585557190.db2.gz HZKGOTQPPGMKQF-UHFFFAOYSA-N 1 1 241.334 2.292 20 30 BEEDMO C#CC[N@H+](CC#CC)C[C@@H]1CC=CCC1 ZINC000769449107 585557232 /nfs/dbraw/zinc/55/72/32/585557232.db2.gz XYHHRYAIFHSKDB-CQSZACIVSA-N 1 1 201.313 2.301 20 30 BEEDMO C=C(C)C[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769787720 585563244 /nfs/dbraw/zinc/56/32/44/585563244.db2.gz RSIYMWBAGDDNLF-UHFFFAOYSA-N 1 1 240.347 2.114 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000769897285 585566267 /nfs/dbraw/zinc/56/62/67/585566267.db2.gz IIXJSGDVGVEYNP-WDEREUQCSA-N 1 1 249.276 2.035 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000769954109 585567184 /nfs/dbraw/zinc/56/71/84/585567184.db2.gz RGOQIFFEVBLILW-NSHDSACASA-N 1 1 215.296 2.170 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000769960545 585567464 /nfs/dbraw/zinc/56/74/64/585567464.db2.gz DEJNKKPRLXNYQV-SECBINFHSA-N 1 1 249.285 2.187 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000769960545 585567465 /nfs/dbraw/zinc/56/74/65/585567465.db2.gz DEJNKKPRLXNYQV-SECBINFHSA-N 1 1 249.285 2.187 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000770028683 585569794 /nfs/dbraw/zinc/56/97/94/585569794.db2.gz MMPLNHREOXOCRT-CYBMUJFWSA-N 1 1 231.343 2.013 20 30 BEEDMO C#CCCC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000810027013 585571516 /nfs/dbraw/zinc/57/15/16/585571516.db2.gz UPCUSPDWWQOSMR-QWHCGFSZSA-N 1 1 221.344 2.289 20 30 BEEDMO C=CC[N@@H+](CC(=O)NCCCCCC)C1CC1 ZINC000772381874 585613787 /nfs/dbraw/zinc/61/37/87/585613787.db2.gz NXGOOGVEJGPUOW-UHFFFAOYSA-N 1 1 238.375 2.333 20 30 BEEDMO C=CC[N@H+](CC(=O)NCCCCCC)C1CC1 ZINC000772381874 585613788 /nfs/dbraw/zinc/61/37/88/585613788.db2.gz NXGOOGVEJGPUOW-UHFFFAOYSA-N 1 1 238.375 2.333 20 30 BEEDMO CC(C)c1nccnc1N=NC1C[C@@H](C)[N@@H+](C)C1 ZINC000773089862 585631010 /nfs/dbraw/zinc/63/10/10/585631010.db2.gz BYHCBFPZIUKZSN-SNVBAGLBSA-N 1 1 247.346 2.092 20 30 BEEDMO C#CCCCCC(=O)NCC[N@H+](C)CCCC ZINC000773375154 585635427 /nfs/dbraw/zinc/63/54/27/585635427.db2.gz KVYYYABZMXYCQP-UHFFFAOYSA-N 1 1 238.375 2.028 20 30 BEEDMO C=C(CC)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000773525171 585639445 /nfs/dbraw/zinc/63/94/45/585639445.db2.gz ZFCBTCJPFOUCNK-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(CC)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000773525171 585639446 /nfs/dbraw/zinc/63/94/46/585639446.db2.gz ZFCBTCJPFOUCNK-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(C)[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000774388989 585657126 /nfs/dbraw/zinc/65/71/26/585657126.db2.gz BNPWGSIISKOIKT-NWDGAFQWSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(C)[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000774388989 585657127 /nfs/dbraw/zinc/65/71/27/585657127.db2.gz BNPWGSIISKOIKT-NWDGAFQWSA-N 1 1 225.332 2.369 20 30 BEEDMO C1CCC(ON=C2CC[N@H+]3CCC[C@@H]23)C1 ZINC000774596340 585661581 /nfs/dbraw/zinc/66/15/81/585661581.db2.gz CTGUKXWWHVBKDD-LBPRGKRZSA-N 1 1 208.305 2.170 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000774911236 585669146 /nfs/dbraw/zinc/66/91/46/585669146.db2.gz XKADBCRWPMLYSM-AAEUAGOBSA-N 1 1 220.316 2.303 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000774911236 585669147 /nfs/dbraw/zinc/66/91/47/585669147.db2.gz XKADBCRWPMLYSM-AAEUAGOBSA-N 1 1 220.316 2.303 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)ccc1O ZINC000775184068 585672765 /nfs/dbraw/zinc/67/27/65/585672765.db2.gz UTHAPGIOQVPYMB-NSHDSACASA-N 1 1 203.285 2.154 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCC)cc1O ZINC000775185189 585672774 /nfs/dbraw/zinc/67/27/74/585672774.db2.gz YUQHOKFYOTUTRY-NSHDSACASA-N 1 1 233.311 2.244 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC)cc1O ZINC000775185122 585673055 /nfs/dbraw/zinc/67/30/55/585673055.db2.gz YUQHOKFYOTUTRY-LLVKDONJSA-N 1 1 233.311 2.244 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OCC)c1O ZINC000775182026 585673069 /nfs/dbraw/zinc/67/30/69/585673069.db2.gz AKKXCDCKVRQBDG-NSHDSACASA-N 1 1 233.311 2.244 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1ccc(CC)o1)[C@@H]1CCCO1 ZINC000775351205 585676615 /nfs/dbraw/zinc/67/66/15/585676615.db2.gz SGKBOZKULPZTSI-KGLIPLIRSA-N 1 1 233.311 2.112 20 30 BEEDMO C#CC[C@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000775398743 585677518 /nfs/dbraw/zinc/67/75/18/585677518.db2.gz ATUUSFYTCGIBNS-INIZCTEOSA-N 1 1 242.366 2.436 20 30 BEEDMO C=C(C)CC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000775590588 585681178 /nfs/dbraw/zinc/68/11/78/585681178.db2.gz BXIHDOSOMNBENU-LBPRGKRZSA-N 1 1 225.332 2.180 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000775663227 585682673 /nfs/dbraw/zinc/68/26/73/585682673.db2.gz RUPKPBRCJUTWJC-ZDUSSCGKSA-N 1 1 239.359 2.428 20 30 BEEDMO C=CC[N@H+](CCCn1ccnc1)C(C)C ZINC000775940952 585688373 /nfs/dbraw/zinc/68/83/73/585688373.db2.gz IRWFQGLRIAJJAA-UHFFFAOYSA-N 1 1 207.321 2.170 20 30 BEEDMO C[C@H]1CCOCC[N@H+]1CCC(C)(C)C#N ZINC000776604665 585702508 /nfs/dbraw/zinc/70/25/08/585702508.db2.gz DLMKDHWQWUFTAO-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H]1CC(=NOCCC(F)(F)F)C[N@H+]1C ZINC000777460342 585713093 /nfs/dbraw/zinc/71/30/93/585713093.db2.gz OWMGBNJXDYZLAY-SSDOTTSWSA-N 1 1 224.226 2.035 20 30 BEEDMO C=C(C)C[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000777959554 585724637 /nfs/dbraw/zinc/72/46/37/585724637.db2.gz PTEIQMUDIUGFBZ-OLZOCXBDSA-N 1 1 236.359 2.243 20 30 BEEDMO C=C(C)C[N@@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000777959554 585724638 /nfs/dbraw/zinc/72/46/38/585724638.db2.gz PTEIQMUDIUGFBZ-OLZOCXBDSA-N 1 1 236.359 2.243 20 30 BEEDMO CCCCCCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000778254350 585729604 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2.081 20 30 BEEDMO C=CCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000816588624 586742716 /nfs/dbraw/zinc/74/27/16/586742716.db2.gz TXLWOSNJUFPITK-UHFFFAOYSA-N 1 1 213.712 2.081 20 30 BEEDMO COc1ccc(O)c(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000816632574 586746058 /nfs/dbraw/zinc/74/60/58/586746058.db2.gz OYUUVCALGNNDGK-UHFFFAOYSA-N 1 1 248.326 2.382 20 30 BEEDMO COc1ccc(O)c(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000816632574 586746059 /nfs/dbraw/zinc/74/60/59/586746059.db2.gz OYUUVCALGNNDGK-UHFFFAOYSA-N 1 1 248.326 2.382 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000816648949 586751728 /nfs/dbraw/zinc/75/17/28/586751728.db2.gz RAWUCTMMSQUNJU-WDEREUQCSA-N 1 1 240.310 2.046 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000816648949 586751730 /nfs/dbraw/zinc/75/17/30/586751730.db2.gz RAWUCTMMSQUNJU-WDEREUQCSA-N 1 1 240.310 2.046 20 30 BEEDMO C#CCO[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817328582 586794465 /nfs/dbraw/zinc/79/44/65/586794465.db2.gz HOLSMKCGRBJEJR-UHFFFAOYSA-N 1 1 228.295 2.349 20 30 BEEDMO C=CCCCCC[C@H](C)N[C@@H]1CC[NH2+]C1 ZINC000817944452 586846232 /nfs/dbraw/zinc/84/62/32/586846232.db2.gz COYNNIVIEKVPJH-QWHCGFSZSA-N 1 1 210.365 2.463 20 30 BEEDMO C=CCCCCOC(=O)Cn1c[nH+]cc1C ZINC000859946072 589072378 /nfs/dbraw/zinc/07/23/78/589072378.db2.gz JVDBJAUQOGQVFR-UHFFFAOYSA-N 1 1 222.288 2.091 20 30 BEEDMO C#CCCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC000859961635 589074014 /nfs/dbraw/zinc/07/40/14/589074014.db2.gz OSHBMUREAZCCDN-UHFFFAOYSA-N 1 1 225.332 2.110 20 30 BEEDMO N#CCC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094372 586930693 /nfs/dbraw/zinc/93/06/93/586930693.db2.gz FFDOZKUYVIACIY-UHFFFAOYSA-N 1 1 227.311 2.066 20 30 BEEDMO C#CC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000860103148 589080699 /nfs/dbraw/zinc/08/06/99/589080699.db2.gz LNPRWSRTOGRAGF-LBPRGKRZSA-N 1 1 233.286 2.257 20 30 BEEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000820728610 587069266 /nfs/dbraw/zinc/06/92/66/587069266.db2.gz NNFRPEPOPAUMES-QWHCGFSZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C(Cl)C[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000860187012 589088337 /nfs/dbraw/zinc/08/83/37/589088337.db2.gz WBQWAXVMTFMBIJ-NXEZZACHSA-N 1 1 245.750 2.401 20 30 BEEDMO C=CC1CC[NH+](Cc2nn(CC)nc2C)CC1 ZINC000823447012 587222422 /nfs/dbraw/zinc/22/24/22/587222422.db2.gz BKMIMEYMKAXWOT-UHFFFAOYSA-N 1 1 234.347 2.004 20 30 BEEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000824571616 587277277 /nfs/dbraw/zinc/27/72/77/587277277.db2.gz NGPLVSRSHLJOKX-ZDUSSCGKSA-N 1 1 233.286 2.242 20 30 BEEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000824571616 587277278 /nfs/dbraw/zinc/27/72/78/587277278.db2.gz NGPLVSRSHLJOKX-ZDUSSCGKSA-N 1 1 233.286 2.242 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)C(C)(C)C ZINC000825940127 587346692 /nfs/dbraw/zinc/34/66/92/587346692.db2.gz MOHLZDLJPUSTPU-CYBMUJFWSA-N 1 1 246.358 2.141 20 30 BEEDMO C#CC[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000826578706 587355595 /nfs/dbraw/zinc/35/55/95/587355595.db2.gz KRPXOUKMGGRBFK-CYBMUJFWSA-N 1 1 229.327 2.333 20 30 BEEDMO C#Cc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000826991301 587367373 /nfs/dbraw/zinc/36/73/73/587367373.db2.gz ZIIBQXLZMOLMAV-UHFFFAOYSA-N 1 1 210.280 2.013 20 30 BEEDMO C#CC[N@H+](C[C@H](O)CCC)C1CCCCC1 ZINC000827515954 587384009 /nfs/dbraw/zinc/38/40/09/587384009.db2.gz KNFGELXUNKNUAZ-CQSZACIVSA-N 1 1 223.360 2.415 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1 ZINC000827692732 587396848 /nfs/dbraw/zinc/39/68/48/587396848.db2.gz METPGUXWIICFRW-XJKSGUPXSA-N 1 1 243.350 2.118 20 30 BEEDMO C=CC[N@H+](Cc1ccncc1C#N)C(C)C ZINC000827798232 587402984 /nfs/dbraw/zinc/40/29/84/587402984.db2.gz JHFVVAMVRASRLX-UHFFFAOYSA-N 1 1 215.300 2.350 20 30 BEEDMO C=CC[N@@H+](Cc1ccncc1C#N)C(C)C ZINC000827798232 587402985 /nfs/dbraw/zinc/40/29/85/587402985.db2.gz JHFVVAMVRASRLX-UHFFFAOYSA-N 1 1 215.300 2.350 20 30 BEEDMO CCC[C@H](O)C[N@@H+](CCC#N)CC(C)C ZINC000827872620 587406602 /nfs/dbraw/zinc/40/66/02/587406602.db2.gz DVDOSAOFWNMUHN-LBPRGKRZSA-N 1 1 212.337 2.019 20 30 BEEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccncc1 ZINC000828624723 587454523 /nfs/dbraw/zinc/45/45/23/587454523.db2.gz PCSMPHXOWKYSDZ-LLVKDONJSA-N 1 1 215.300 2.426 20 30 BEEDMO Cc1nn(C)cc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000828669351 587456515 /nfs/dbraw/zinc/45/65/15/587456515.db2.gz IGPZWAHZKREQPV-JTQLQIEISA-N 1 1 232.331 2.073 20 30 BEEDMO C=CC[C@@H]1[N@@H+](CC[S@](C)=O)CCCC1(C)C ZINC000829283976 587491273 /nfs/dbraw/zinc/49/12/73/587491273.db2.gz XAKXYRVMLWXHCL-LRDDRELGSA-N 1 1 243.416 2.432 20 30 BEEDMO C=C(CC)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000829460735 587498955 /nfs/dbraw/zinc/49/89/55/587498955.db2.gz ZGMODUOCISRRAZ-UHFFFAOYSA-N 1 1 232.331 2.455 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2C)C1 ZINC000829778665 587514892 /nfs/dbraw/zinc/51/48/92/587514892.db2.gz GHAKGFSTURBPPM-AWEZNQCLSA-N 1 1 245.370 2.272 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](CCc2ccccn2)C1 ZINC000829774824 587515383 /nfs/dbraw/zinc/51/53/83/587515383.db2.gz UPCMKNKHUXFCLU-CQSZACIVSA-N 1 1 228.339 2.359 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)ccn2)C1 ZINC000829783781 587515818 /nfs/dbraw/zinc/51/58/18/587515818.db2.gz CAYSVCKBTOPKFT-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000829783865 587515887 /nfs/dbraw/zinc/51/58/87/587515887.db2.gz CPDQIHFUTAZGLO-CYBMUJFWSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CC2(O)CCCC2)C1 ZINC000829784646 587516237 /nfs/dbraw/zinc/51/62/37/587516237.db2.gz LFIMMNHWNKCJFR-ZDUSSCGKSA-N 1 1 221.344 2.027 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000829785708 587516410 /nfs/dbraw/zinc/51/64/10/587516410.db2.gz YJCVNBBYJPCEJS-CYBMUJFWSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)cn2)C1 ZINC000829810090 587518423 /nfs/dbraw/zinc/51/84/23/587518423.db2.gz LSGWQSUAQCMNHY-LLVKDONJSA-N 1 1 249.745 2.365 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)cn2)C1 ZINC000829810090 587518424 /nfs/dbraw/zinc/51/84/24/587518424.db2.gz LSGWQSUAQCMNHY-LLVKDONJSA-N 1 1 249.745 2.365 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000829810365 587518646 /nfs/dbraw/zinc/51/86/46/587518646.db2.gz OTAVECOXWOOXAJ-LBPRGKRZSA-N 1 1 232.302 2.456 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)C(C)C)C1 ZINC000829816106 587519820 /nfs/dbraw/zinc/51/98/20/587519820.db2.gz ZKDALSQRDCBQHN-CYBMUJFWSA-N 1 1 221.344 2.337 20 30 BEEDMO C#CCCC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830853834 587573858 /nfs/dbraw/zinc/57/38/58/587573858.db2.gz AVLUZBWTLYMDRK-ZDUSSCGKSA-N 1 1 221.344 2.433 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1COC ZINC000832605568 587669070 /nfs/dbraw/zinc/66/90/70/587669070.db2.gz CXTYAMPWVKMGJY-SNVBAGLBSA-N 1 1 203.713 2.240 20 30 BEEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000834383496 587753648 /nfs/dbraw/zinc/75/36/48/587753648.db2.gz UFZZXIJGMATRBH-GJZGRUSLSA-N 1 1 242.322 2.076 20 30 BEEDMO C#Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1 ZINC000834903762 587769839 /nfs/dbraw/zinc/76/98/39/587769839.db2.gz REWFVTVDOCYIKQ-CJNGLKHVSA-N 1 1 242.366 2.240 20 30 BEEDMO C#Cc1cccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000834903762 587769840 /nfs/dbraw/zinc/76/98/40/587769840.db2.gz REWFVTVDOCYIKQ-CJNGLKHVSA-N 1 1 242.366 2.240 20 30 BEEDMO C#Cc1cccc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000834903762 587769841 /nfs/dbraw/zinc/76/98/41/587769841.db2.gz REWFVTVDOCYIKQ-CJNGLKHVSA-N 1 1 242.366 2.240 20 30 BEEDMO C#Cc1cccc(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000834902563 587770093 /nfs/dbraw/zinc/77/00/93/587770093.db2.gz JNIZNXPMXQCKOS-GFCCVEGCSA-N 1 1 239.322 2.252 20 30 BEEDMO C=CCCCCC(C)=NN1CC[NH+](C)CC1 ZINC000834914480 587770510 /nfs/dbraw/zinc/77/05/10/587770510.db2.gz PTFQLTKUMZZBTM-UHFFFAOYSA-N 1 1 223.364 2.356 20 30 BEEDMO CCC(=NN1CC[NH+](C)CC1)C1CCCC1 ZINC000834916206 587770739 /nfs/dbraw/zinc/77/07/39/587770739.db2.gz VGGPEIOBFJJMTH-UHFFFAOYSA-N 1 1 223.364 2.190 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)[C@@H]1CCCC[C@H]1C ZINC000834916297 587770760 /nfs/dbraw/zinc/77/07/60/587770760.db2.gz YKHHZDWXTRQULQ-TZMCWYRMSA-N 1 1 237.391 2.436 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1C ZINC000834916295 587770893 /nfs/dbraw/zinc/77/08/93/587770893.db2.gz YKHHZDWXTRQULQ-JSGCOSHPSA-N 1 1 237.391 2.436 20 30 BEEDMO Nc1ccc2c(c1)CCC2=[NH+]O[C@H]1CCCCO1 ZINC000834967130 587773506 /nfs/dbraw/zinc/77/35/06/587773506.db2.gz TZYCFLONGGRFDX-AWEZNQCLSA-N 1 1 246.310 2.462 20 30 BEEDMO C#Cc1ccc(CNC(C)(C)C[NH+](C)C)cc1 ZINC000835070653 587780223 /nfs/dbraw/zinc/78/02/23/587780223.db2.gz UNAJFQWITUZUIS-UHFFFAOYSA-N 1 1 230.355 2.098 20 30 BEEDMO C=CCCC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835598750 587808792 /nfs/dbraw/zinc/80/87/92/587808792.db2.gz IFOHCVJLRLOAKZ-YHWZYXNKSA-N 1 1 237.343 2.369 20 30 BEEDMO C=CC(C)(C)C(=O)OCCCn1cc[nH+]c1C ZINC000837864525 587901279 /nfs/dbraw/zinc/90/12/79/587901279.db2.gz QKFRYGDMJDPZDR-UHFFFAOYSA-N 1 1 236.315 2.337 20 30 BEEDMO CC(C)CC[C@H]1CCCC1N=NC1=[NH+]CCN1 ZINC000841658561 587968686 /nfs/dbraw/zinc/96/86/86/587968686.db2.gz FYCHWJINSHHXIS-LLVKDONJSA-N 1 1 236.363 2.128 20 30 BEEDMO CC(C)CC[C@H]1CCC(N=NC2=[NH+]CCN2)C1 ZINC000841658631 587969078 /nfs/dbraw/zinc/96/90/78/587969078.db2.gz CBDVFAYGXVLCJD-NSHDSACASA-N 1 1 236.363 2.128 20 30 BEEDMO C#CCC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000842170599 588006321 /nfs/dbraw/zinc/00/63/21/588006321.db2.gz KCIGJPOAMODOJP-GFCCVEGCSA-N 1 1 209.358 2.227 20 30 BEEDMO Cc1[nH+]c(C=NNC23CC(C2)C3)c2ccccn12 ZINC000842545906 588040208 /nfs/dbraw/zinc/04/02/08/588040208.db2.gz BHRNMYSJXKQSHP-UHFFFAOYSA-N 1 1 240.310 2.119 20 30 BEEDMO CCCO[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842551170 588041429 /nfs/dbraw/zinc/04/14/29/588041429.db2.gz PBHGUQCBASJSRE-UHFFFAOYSA-N 1 1 237.259 2.328 20 30 BEEDMO N#CCC[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000843074291 588079705 /nfs/dbraw/zinc/07/97/05/588079705.db2.gz CXFIXSUIICNIFK-NSHDSACASA-N 1 1 246.335 2.438 20 30 BEEDMO CC(C)Oc1ccc([C@H](O)C[NH2+]CCC#N)cc1 ZINC000843083527 588080747 /nfs/dbraw/zinc/08/07/47/588080747.db2.gz YHNJGELNWVDUPF-CQSZACIVSA-N 1 1 248.326 2.010 20 30 BEEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])CC)n1 ZINC000843233816 588094233 /nfs/dbraw/zinc/09/42/33/588094233.db2.gz BKLRCSVIHMRHOY-QMMMGPOBSA-N 1 1 209.293 2.333 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000843424000 588107909 /nfs/dbraw/zinc/10/79/09/588107909.db2.gz NOFKUNILWOAKMG-GFCCVEGCSA-N 1 1 228.295 2.387 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000843422581 588107920 /nfs/dbraw/zinc/10/79/20/588107920.db2.gz GQXQWOREWIRXDC-LBPRGKRZSA-N 1 1 232.302 2.456 20 30 BEEDMO C=CC[N@H+](Cc1snnc1C)C(C)C ZINC000844276145 588179496 /nfs/dbraw/zinc/17/94/96/588179496.db2.gz BDCFLAYIJPHLOF-UHFFFAOYSA-N 1 1 211.334 2.243 20 30 BEEDMO C=CC[N@@H+](Cc1snnc1C)C(C)C ZINC000844276145 588179497 /nfs/dbraw/zinc/17/94/97/588179497.db2.gz BDCFLAYIJPHLOF-UHFFFAOYSA-N 1 1 211.334 2.243 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000844324367 588185036 /nfs/dbraw/zinc/18/50/36/588185036.db2.gz MWICJPWFMPUDIA-LBPRGKRZSA-N 1 1 232.327 2.322 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000844324367 588185037 /nfs/dbraw/zinc/18/50/37/588185037.db2.gz MWICJPWFMPUDIA-LBPRGKRZSA-N 1 1 232.327 2.322 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC000844346098 588186573 /nfs/dbraw/zinc/18/65/73/588186573.db2.gz HRDNNYKCZIUDHY-NSHDSACASA-N 1 1 235.356 2.082 20 30 BEEDMO C=C(C)CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371938 588188043 /nfs/dbraw/zinc/18/80/43/588188043.db2.gz SQKAQCOQVQMFBS-HNNXBMFYSA-N 1 1 244.338 2.490 20 30 BEEDMO C=C(Cl)C[N@@H+](CC)[C@@H]1CCCOC1 ZINC000844405183 588190740 /nfs/dbraw/zinc/19/07/40/588190740.db2.gz UBOXPAMCYXQWEU-SNVBAGLBSA-N 1 1 203.713 2.240 20 30 BEEDMO C=C(Cl)C[N@H+](CC)[C@@H]1CCCOC1 ZINC000844405183 588190741 /nfs/dbraw/zinc/19/07/41/588190741.db2.gz UBOXPAMCYXQWEU-SNVBAGLBSA-N 1 1 203.713 2.240 20 30 BEEDMO C=C[C@H](C)ON=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844621948 588209705 /nfs/dbraw/zinc/20/97/05/588209705.db2.gz QGLQAXXMMZSWKI-ZJUUUORDSA-N 1 1 208.305 2.190 20 30 BEEDMO C=C[C@@H](C)ON=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844621945 588209723 /nfs/dbraw/zinc/20/97/23/588209723.db2.gz QGLQAXXMMZSWKI-NXEZZACHSA-N 1 1 208.305 2.190 20 30 BEEDMO C=C[C@@H](C)ON=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000844621721 588209761 /nfs/dbraw/zinc/20/97/61/588209761.db2.gz LUHFQXCCWIROFY-WDEREUQCSA-N 1 1 210.321 2.294 20 30 BEEDMO C=C[C@H](C)ON=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000844621719 588209830 /nfs/dbraw/zinc/20/98/30/588209830.db2.gz LUHFQXCCWIROFY-MNOVXSKESA-N 1 1 210.321 2.294 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000105605867 588216091 /nfs/dbraw/zinc/21/60/91/588216091.db2.gz VCLUTICMRUTBHT-UHFFFAOYSA-N 1 1 235.262 2.286 20 30 BEEDMO CCCC(N)=[NH+]OCCOc1ccc(C)cc1 ZINC000105605188 588216325 /nfs/dbraw/zinc/21/63/25/588216325.db2.gz RQCLNCSBJBTHMH-UHFFFAOYSA-N 1 1 236.315 2.463 20 30 BEEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCCC#N ZINC000845727462 588242755 /nfs/dbraw/zinc/24/27/55/588242755.db2.gz BKGWNLNHHSEKAV-NSHDSACASA-N 1 1 238.331 2.096 20 30 BEEDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCC1(C#N)CCCC1 ZINC000846010264 588253559 /nfs/dbraw/zinc/25/35/59/588253559.db2.gz HUVBDCKIJQXEME-GXTWGEPZSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NCC1(C#N)CCCC1 ZINC000846010264 588253560 /nfs/dbraw/zinc/25/35/60/588253560.db2.gz HUVBDCKIJQXEME-GXTWGEPZSA-N 1 1 247.386 2.143 20 30 BEEDMO CCCCCCC[N@@H+](CC)CC(=O)OC ZINC000106462280 588283260 /nfs/dbraw/zinc/28/32/60/588283260.db2.gz FLCPHBGYUQASBK-UHFFFAOYSA-N 1 1 215.337 2.452 20 30 BEEDMO CC(C)Cc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000846770260 588286940 /nfs/dbraw/zinc/28/69/40/588286940.db2.gz ORVBNZHDMBOMOI-JTQLQIEISA-N 1 1 236.319 2.352 20 30 BEEDMO C=CC[N@H+](CCCC(=O)NCCC)C(C)C ZINC000846776340 588287823 /nfs/dbraw/zinc/28/78/23/588287823.db2.gz OHWKRYIGUZTHFQ-UHFFFAOYSA-N 1 1 226.364 2.189 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc2nonc2c1 ZINC000846867470 588293596 /nfs/dbraw/zinc/29/35/96/588293596.db2.gz HZDFLZMPRYJIID-UHFFFAOYSA-N 1 1 217.272 2.231 20 30 BEEDMO C#CC[N@@H+](C)CCCc1c(F)cccc1F ZINC000846874229 588294966 /nfs/dbraw/zinc/29/49/66/588294966.db2.gz WWHPTWXRKUMNKO-UHFFFAOYSA-N 1 1 223.266 2.462 20 30 BEEDMO C=CCCn1cc(C[N@H+]2CCCC23CCC3)nn1 ZINC000846879847 588295157 /nfs/dbraw/zinc/29/51/57/588295157.db2.gz RPRTUKQXTHHDPC-UHFFFAOYSA-N 1 1 246.358 2.373 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000846992903 588300626 /nfs/dbraw/zinc/30/06/26/588300626.db2.gz MCIJXFFDSUIKNP-QWHCGFSZSA-N 1 1 236.290 2.141 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccccc1F ZINC000846997012 588301061 /nfs/dbraw/zinc/30/10/61/588301061.db2.gz ZRSLXRZYCHNMLC-GWCFXTLKSA-N 1 1 236.290 2.141 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)ccn2)C1 ZINC000847019060 588301951 /nfs/dbraw/zinc/30/19/51/588301951.db2.gz OGBOBWBASOFURU-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000847019063 588302215 /nfs/dbraw/zinc/30/22/15/588302215.db2.gz OHUGAXCYUWXIKY-LBPRGKRZSA-N 1 1 234.368 2.339 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCCSCCOC)C1 ZINC000847019555 588302352 /nfs/dbraw/zinc/30/23/52/588302352.db2.gz RIXOLNWKFVQUEY-CYBMUJFWSA-N 1 1 241.400 2.101 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000847023457 588303159 /nfs/dbraw/zinc/30/31/59/588303159.db2.gz MVWJCEUWFWFSPW-OAHLLOKOSA-N 1 1 245.370 2.399 20 30 BEEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000847025764 588303751 /nfs/dbraw/zinc/30/37/51/588303751.db2.gz WUQNFBXTSNGGJA-QWRGUYRKSA-N 1 1 233.315 2.038 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000847025764 588303752 /nfs/dbraw/zinc/30/37/52/588303752.db2.gz WUQNFBXTSNGGJA-QWRGUYRKSA-N 1 1 233.315 2.038 20 30 BEEDMO C#CCCC[NH2+]C(C)(C)C(=O)OCCCC ZINC000847065274 588305656 /nfs/dbraw/zinc/30/56/56/588305656.db2.gz WGXDNMKSEFLYHC-UHFFFAOYSA-N 1 1 225.332 2.111 20 30 BEEDMO C#CC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000847101640 588306341 /nfs/dbraw/zinc/30/63/41/588306341.db2.gz WCDULYFHFIEUFN-LBPRGKRZSA-N 1 1 207.317 2.043 20 30 BEEDMO COCCCON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848410208 588379844 /nfs/dbraw/zinc/37/98/44/588379844.db2.gz DMGNDMRICSOEAS-CYBMUJFWSA-N 1 1 240.347 2.044 20 30 BEEDMO CC(C)OCCO[NH+]=Cc1cccc(F)c1N ZINC000848411094 588380060 /nfs/dbraw/zinc/38/00/60/588380060.db2.gz XABJAFPBTYTRQR-UHFFFAOYSA-N 1 1 240.278 2.183 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000848492578 588387260 /nfs/dbraw/zinc/38/72/60/588387260.db2.gz FMHCESKAEITNMS-GFCCVEGCSA-N 1 1 247.367 2.224 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000848492578 588387263 /nfs/dbraw/zinc/38/72/63/588387263.db2.gz FMHCESKAEITNMS-GFCCVEGCSA-N 1 1 247.367 2.224 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000848519102 588390524 /nfs/dbraw/zinc/39/05/24/588390524.db2.gz NEGUFAODAXNIDZ-QPUJVOFHSA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000848518616 588390667 /nfs/dbraw/zinc/39/06/67/588390667.db2.gz JJGSZAVGEKRECS-GWCFXTLKSA-N 1 1 243.310 2.407 20 30 BEEDMO C=C(Cl)C[NH2+][C@@H](C)c1cncnc1C ZINC000848534066 588393751 /nfs/dbraw/zinc/39/37/51/588393751.db2.gz OYWFUVRBDNKNIS-QMMMGPOBSA-N 1 1 211.696 2.188 20 30 BEEDMO C=CCC(C)(C)c1noc([C@H](C)[NH2+]C)n1 ZINC000848629582 588402534 /nfs/dbraw/zinc/40/25/34/588402534.db2.gz CHIOJDAYGYCXJJ-QMMMGPOBSA-N 1 1 209.293 2.204 20 30 BEEDMO C#CCOCC[N@H+](CC)CCc1ccccc1 ZINC000851728255 588618725 /nfs/dbraw/zinc/61/87/25/588618725.db2.gz KAKYZTXHTVVRGP-UHFFFAOYSA-N 1 1 231.339 2.201 20 30 BEEDMO CC[N@@H+](CC[C@@H]1COC(C)(C)O1)C[C@H](C)C#N ZINC000851742669 588621299 /nfs/dbraw/zinc/62/12/99/588621299.db2.gz OLNAYWWACDHISN-VXGBXAGGSA-N 1 1 240.347 2.010 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CC[C@H](OC)C1 ZINC000851741208 588621438 /nfs/dbraw/zinc/62/14/38/588621438.db2.gz BRVHXTROZMMSBP-UTUOFQBUSA-N 1 1 210.321 2.035 20 30 BEEDMO C#CCOCC[N@H+]1CCCc2ccccc2C1 ZINC000851762477 588624641 /nfs/dbraw/zinc/62/46/41/588624641.db2.gz QXJHPJWZWIJMRS-UHFFFAOYSA-N 1 1 229.323 2.085 20 30 BEEDMO C=CCCC[N@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851780504 588627252 /nfs/dbraw/zinc/62/72/52/588627252.db2.gz TYCHPHXBIOKXJD-NSHDSACASA-N 1 1 213.321 2.036 20 30 BEEDMO C#CCOCC[N@@H+]1CCCCC[C@@H]1CC ZINC000851781047 588627424 /nfs/dbraw/zinc/62/74/24/588627424.db2.gz MWXGSWBJGOWURD-ZDUSSCGKSA-N 1 1 209.333 2.291 20 30 BEEDMO C#CC[N@@H+](Cc1coc(C)n1)C1CCCC1 ZINC000851807681 588631898 /nfs/dbraw/zinc/63/18/98/588631898.db2.gz HHKRZJIYMZCVSR-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO C#CC[N@H+](Cc1coc(C)n1)C1CCCC1 ZINC000851807681 588631899 /nfs/dbraw/zinc/63/18/99/588631899.db2.gz HHKRZJIYMZCVSR-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000851808669 588632177 /nfs/dbraw/zinc/63/21/77/588632177.db2.gz POHPMMOYYKAUEW-AWEZNQCLSA-N 1 1 247.313 2.265 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000851889898 588641098 /nfs/dbraw/zinc/64/10/98/588641098.db2.gz RQVFAGHWVWTBNL-CYBMUJFWSA-N 1 1 221.344 2.148 20 30 BEEDMO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000851922657 588644438 /nfs/dbraw/zinc/64/44/38/588644438.db2.gz JRBHZJLLNFUESQ-YNEHKIRRSA-N 1 1 222.332 2.180 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000851966702 588648229 /nfs/dbraw/zinc/64/82/29/588648229.db2.gz RGNUETDOJYQWJP-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@H+](C)CCSc1cccc(OC)c1 ZINC000851977793 588650775 /nfs/dbraw/zinc/65/07/75/588650775.db2.gz GPMDXXWDMDYABX-UHFFFAOYSA-N 1 1 235.352 2.352 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@@H](OC)C1CCC1 ZINC000851986140 588651756 /nfs/dbraw/zinc/65/17/56/588651756.db2.gz COFSZTSEDOKXGW-GFCCVEGCSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000851986621 588651874 /nfs/dbraw/zinc/65/18/74/588651874.db2.gz MFXXLLCJRRUKDD-UHFFFAOYSA-N 1 1 227.311 2.407 20 30 BEEDMO C#CCOCC[N@H+](C)CCc1ccccc1C ZINC000852097012 588662064 /nfs/dbraw/zinc/66/20/64/588662064.db2.gz IJVZWGQYLVXECB-UHFFFAOYSA-N 1 1 231.339 2.119 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1cnc(Cl)cn1 ZINC000852103909 588663743 /nfs/dbraw/zinc/66/37/43/588663743.db2.gz VHLBCYJYNLYMBU-LLVKDONJSA-N 1 1 223.707 2.022 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](CC)CC[C@@H]1C ZINC000852146302 588667315 /nfs/dbraw/zinc/66/73/15/588667315.db2.gz LSXIRMFSSMIDDN-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCCC[N@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000852307543 588677511 /nfs/dbraw/zinc/67/75/11/588677511.db2.gz ZIHHDMFFZRTJGA-GFCCVEGCSA-N 1 1 239.359 2.452 20 30 BEEDMO C=CC[N@@H+](C[Si](C)(C)C)[C@@H](C)COC ZINC000852358701 588680010 /nfs/dbraw/zinc/68/00/10/588680010.db2.gz YTMZJUARHZQGHY-NSHDSACASA-N 1 1 215.413 2.387 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852408822 588680943 /nfs/dbraw/zinc/68/09/43/588680943.db2.gz BHPCWMYQQVMEQY-DZGCQCFKSA-N 1 1 246.354 2.403 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412136 588681243 /nfs/dbraw/zinc/68/12/43/588681243.db2.gz ZACJVIUTCAREAR-OLZOCXBDSA-N 1 1 249.354 2.370 20 30 BEEDMO C=CC[N@H+](CCCN1CCOC1=O)C(C)(C)C ZINC000852554319 588689488 /nfs/dbraw/zinc/68/94/88/588689488.db2.gz IYWXWDXQZYOUEK-UHFFFAOYSA-N 1 1 240.347 2.115 20 30 BEEDMO C=CC[N@@H+](Cc1cnn(CC)n1)C(C)(C)C ZINC000852554792 588689655 /nfs/dbraw/zinc/68/96/55/588689655.db2.gz WKEOGPPWAKXPCJ-UHFFFAOYSA-N 1 1 222.336 2.085 20 30 BEEDMO C=CC[N@H+](Cc1cnn(CC)n1)C(C)(C)C ZINC000852554792 588689656 /nfs/dbraw/zinc/68/96/56/588689656.db2.gz WKEOGPPWAKXPCJ-UHFFFAOYSA-N 1 1 222.336 2.085 20 30 BEEDMO C=CC[N@H+](CCO[C@@H](C)C#N)C(C)(C)C ZINC000852554063 588689680 /nfs/dbraw/zinc/68/96/80/588689680.db2.gz BGLFJNCMSIIQEP-NSHDSACASA-N 1 1 210.321 2.202 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](CC)CC[C@H]1C ZINC000852592267 588692167 /nfs/dbraw/zinc/69/21/67/588692167.db2.gz LSXIRMFSSMIDDN-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCCC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852637058 588693666 /nfs/dbraw/zinc/69/36/66/588693666.db2.gz RASFADDPBRILSG-CYBMUJFWSA-N 1 1 221.344 2.433 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC(F)F ZINC000852687394 588696286 /nfs/dbraw/zinc/69/62/86/588696286.db2.gz KFZVJWFWRNPMHG-AOOOYVTPSA-N 1 1 217.259 2.409 20 30 BEEDMO CCCCCCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000852760908 588700782 /nfs/dbraw/zinc/70/07/82/588700782.db2.gz OGQNOSMNVBBZQD-VXGBXAGGSA-N 1 1 216.344 2.328 20 30 BEEDMO C#CCOCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762507 588700979 /nfs/dbraw/zinc/70/09/79/588700979.db2.gz NOQWVBCTOQNBSH-UHFFFAOYSA-N 1 1 241.334 2.257 20 30 BEEDMO C=C(C)CC[C@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860855104 589124281 /nfs/dbraw/zinc/12/42/81/589124281.db2.gz RHGTYCAIRIOHAX-LBPRGKRZSA-N 1 1 236.315 2.480 20 30 BEEDMO C=CC[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000860900464 589128650 /nfs/dbraw/zinc/12/86/50/589128650.db2.gz FTUVGRIFOONJHE-RYUDHWBXSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000860900464 589128651 /nfs/dbraw/zinc/12/86/51/589128651.db2.gz FTUVGRIFOONJHE-RYUDHWBXSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000860900462 589128710 /nfs/dbraw/zinc/12/87/10/589128710.db2.gz FTUVGRIFOONJHE-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000860900462 589128711 /nfs/dbraw/zinc/12/87/11/589128711.db2.gz FTUVGRIFOONJHE-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO Cc1c(F)nccc1C[NH2+]CC(C)(C)C#N ZINC000862324891 589200535 /nfs/dbraw/zinc/20/05/35/589200535.db2.gz XPOZDTKAYPXQHQ-UHFFFAOYSA-N 1 1 221.279 2.169 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000862348573 589201832 /nfs/dbraw/zinc/20/18/32/589201832.db2.gz BSDAGAMSMKJVNX-SNVBAGLBSA-N 1 1 213.284 2.016 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(C2CC2)o1 ZINC000862349258 589202103 /nfs/dbraw/zinc/20/21/03/589202103.db2.gz VAMIAVLNALUSQT-VIFPVBQESA-N 1 1 204.273 2.006 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C2CC2)o1 ZINC000862349258 589202104 /nfs/dbraw/zinc/20/21/04/589202104.db2.gz VAMIAVLNALUSQT-VIFPVBQESA-N 1 1 204.273 2.006 20 30 BEEDMO C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369290 589203588 /nfs/dbraw/zinc/20/35/88/589203588.db2.gz ROQDPUNFMGWTSO-STQMWFEESA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369290 589203589 /nfs/dbraw/zinc/20/35/89/589203589.db2.gz ROQDPUNFMGWTSO-STQMWFEESA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369290 589203590 /nfs/dbraw/zinc/20/35/90/589203590.db2.gz ROQDPUNFMGWTSO-STQMWFEESA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369290 589203591 /nfs/dbraw/zinc/20/35/91/589203591.db2.gz ROQDPUNFMGWTSO-STQMWFEESA-N 1 1 236.403 2.497 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)nn2)C1 ZINC000862441714 589213363 /nfs/dbraw/zinc/21/33/63/589213363.db2.gz UPVYEUOHWDSCLH-GFCCVEGCSA-N 1 1 217.316 2.183 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000862443817 589214038 /nfs/dbraw/zinc/21/40/38/589214038.db2.gz 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C[C@@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[N@H+]1C ZINC000872363992 589920612 /nfs/dbraw/zinc/92/06/12/589920612.db2.gz ZQWFDPXFFSUKOV-SECBINFHSA-N 1 1 243.314 2.055 20 30 BEEDMO C=C[C@H](C)ON=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872387506 589930603 /nfs/dbraw/zinc/93/06/03/589930603.db2.gz RQPBJJDQVAOFRV-CMPLNLGQSA-N 1 1 240.372 2.145 20 30 BEEDMO Cc1ccnc(N)c1C=[NH+]OCC1CCC1 ZINC000872391103 589931366 /nfs/dbraw/zinc/93/13/66/589931366.db2.gz NXQMRPZAIQOFBG-UHFFFAOYSA-N 1 1 219.288 2.123 20 30 BEEDMO C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)C[N@@H+]1C ZINC000872405156 589935367 /nfs/dbraw/zinc/93/53/67/589935367.db2.gz HCXXXTWOBOGIPB-NXEZZACHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)C[N@H+]1C ZINC000872405156 589935368 /nfs/dbraw/zinc/93/53/68/589935368.db2.gz HCXXXTWOBOGIPB-NXEZZACHSA-N 1 1 245.317 2.091 20 30 BEEDMO CSc1nnc(SC)n1[NH+]=CC1(C)CC1 ZINC000872417512 589937091 /nfs/dbraw/zinc/93/70/91/589937091.db2.gz DBCITBHFTUQPDQ-UHFFFAOYSA-N 1 1 242.373 2.356 20 30 BEEDMO 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Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000700719557 712004223 /nfs/dbraw/zinc/00/42/23/712004223.db2.gz ZGGMIRFBQOMMIY-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cnc(C)o1)C(C)(C)C ZINC000700835180 712007516 /nfs/dbraw/zinc/00/75/16/712007516.db2.gz WXMVDMDUOPYLHK-NSHDSACASA-N 1 1 206.289 2.121 20 30 BEEDMO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)CC)C1 ZINC001034060275 712037194 /nfs/dbraw/zinc/03/71/94/712037194.db2.gz INIBWMSJQULLHD-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034162112 712046387 /nfs/dbraw/zinc/04/63/87/712046387.db2.gz WWCGNIHYVZASGB-CQSZACIVSA-N 1 1 248.370 2.253 20 30 BEEDMO COc1cc(C[NH2+]CCC#N)ccc1Cl ZINC000703719302 712084412 /nfs/dbraw/zinc/08/44/12/712084412.db2.gz MKYUAJKZULDFDY-UHFFFAOYSA-N 1 1 224.691 2.352 20 30 BEEDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)ccc1C#N ZINC000706786898 712155382 /nfs/dbraw/zinc/15/53/82/712155382.db2.gz ICUAGJDKXCLBCK-QWRGUYRKSA-N 1 1 230.311 2.407 20 30 BEEDMO 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C[C@@H](CC#N)[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713619299 712467335 /nfs/dbraw/zinc/46/73/35/712467335.db2.gz NDLHLBIQNRLVEW-NWDGAFQWSA-N 1 1 224.348 2.426 20 30 BEEDMO CC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618407 712467382 /nfs/dbraw/zinc/46/73/82/712467382.db2.gz KHVZZOBUDZKZEW-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618407 712467383 /nfs/dbraw/zinc/46/73/83/712467383.db2.gz KHVZZOBUDZKZEW-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715415265 712517805 /nfs/dbraw/zinc/51/78/05/712517805.db2.gz LPSWRSZNBPAZTA-TXEJJXNPSA-N 1 1 234.249 2.255 20 30 BEEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715415265 712517808 /nfs/dbraw/zinc/51/78/08/712517808.db2.gz LPSWRSZNBPAZTA-TXEJJXNPSA-N 1 1 234.249 2.255 20 30 BEEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccns1 ZINC000716033627 712547471 /nfs/dbraw/zinc/54/74/71/712547471.db2.gz MCROZBHZFDNNBC-QMMMGPOBSA-N 1 1 233.296 2.459 20 30 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CCC[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)OC ZINC000602485736 349567473 /nfs/dbraw/zinc/56/74/73/349567473.db2.gz RERMROCNBGYRMI-YPMHNXCESA-N 1 1 224.348 2.426 20 30 BEEDMO CCC[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)OC ZINC000602485735 349567487 /nfs/dbraw/zinc/56/74/87/349567487.db2.gz RERMROCNBGYRMI-WCQYABFASA-N 1 1 224.348 2.426 20 30 BEEDMO CCC[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)OC ZINC000602485735 349567489 /nfs/dbraw/zinc/56/74/89/349567489.db2.gz RERMROCNBGYRMI-WCQYABFASA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000602486036 349567912 /nfs/dbraw/zinc/56/79/12/349567912.db2.gz UCZVFJBSMWVLGS-VXGBXAGGSA-N 1 1 226.364 2.265 20 30 BEEDMO CCN1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602523953 349576703 /nfs/dbraw/zinc/57/67/03/349576703.db2.gz JFWDPMYBLIWQPV-SLTAFYQDSA-N 1 1 249.402 2.390 20 30 BEEDMO Cc1n[nH]cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130789328 398272932 /nfs/dbraw/zinc/27/29/32/398272932.db2.gz BYHKIUKMFZHPBU-UHFFFAOYSA-N 1 1 240.310 2.222 20 30 BEEDMO Cc1n[nH]cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130789328 398272936 /nfs/dbraw/zinc/27/29/36/398272936.db2.gz BYHKIUKMFZHPBU-UHFFFAOYSA-N 1 1 240.310 2.222 20 30 BEEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000600188416 342698747 /nfs/dbraw/zinc/69/87/47/342698747.db2.gz BEWOWNGKXXAXRH-DTORHVGOSA-N 1 1 204.298 2.071 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](CCF)C1 ZINC000600204837 342701468 /nfs/dbraw/zinc/70/14/68/342701468.db2.gz MZIBWWBGSOXUKS-GFCCVEGCSA-N 1 1 242.338 2.377 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000602588069 349613597 /nfs/dbraw/zinc/61/35/97/349613597.db2.gz KRCOMTIWPYWZRM-RDBSUJKOSA-N 1 1 238.375 2.409 20 30 BEEDMO N#CC1(Cn2cc[nH+]c2C2CC2)CCC1 ZINC000527531264 262853932 /nfs/dbraw/zinc/85/39/32/262853932.db2.gz BVWHWYRAASLCES-UHFFFAOYSA-N 1 1 201.273 2.454 20 30 BEEDMO CCN1CCC[N@@H+](CCCCC#N)[C@@H](C)C1 ZINC000320301218 342733110 /nfs/dbraw/zinc/73/31/10/342733110.db2.gz IYBXNJDGLHFUDI-ZDUSSCGKSA-N 1 1 223.364 2.096 20 30 BEEDMO CC[N@@H+]1CCCN(CCCCC#N)[C@@H](C)C1 ZINC000320301218 342733111 /nfs/dbraw/zinc/73/31/11/342733111.db2.gz IYBXNJDGLHFUDI-ZDUSSCGKSA-N 1 1 223.364 2.096 20 30 BEEDMO CC[N@H+]1CCCN(CCCCC#N)[C@@H](C)C1 ZINC000320301218 342733112 /nfs/dbraw/zinc/73/31/12/342733112.db2.gz IYBXNJDGLHFUDI-ZDUSSCGKSA-N 1 1 223.364 2.096 20 30 BEEDMO C=CCC(C)(C)CNC(=O)C[N@H+](C)C1CCC1 ZINC000629995263 361878493 /nfs/dbraw/zinc/87/84/93/361878493.db2.gz PEAHOMPPFGZGJR-UHFFFAOYSA-N 1 1 238.375 2.189 20 30 BEEDMO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000602571834 349621571 /nfs/dbraw/zinc/62/15/71/349621571.db2.gz OYOVQSDTPWKLHS-ZYHUDNBSSA-N 1 1 232.331 2.317 20 30 BEEDMO N#CCCC[NH2+]Cc1nc2ccccc2o1 ZINC000602605297 349627257 /nfs/dbraw/zinc/62/72/57/349627257.db2.gz YKTKEUAEKNDSAW-UHFFFAOYSA-N 1 1 215.256 2.221 20 30 BEEDMO C=CC[N@@H+](CC)CC(=O)Nc1ccccc1OC ZINC000067129523 361980618 /nfs/dbraw/zinc/98/06/18/361980618.db2.gz YTHONLRMMJABSM-UHFFFAOYSA-N 1 1 248.326 2.142 20 30 BEEDMO C=CC[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000067129523 361980621 /nfs/dbraw/zinc/98/06/21/361980621.db2.gz YTHONLRMMJABSM-UHFFFAOYSA-N 1 1 248.326 2.142 20 30 BEEDMO CC[N@H+]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000286373703 342840716 /nfs/dbraw/zinc/84/07/16/342840716.db2.gz GKKIRQMDEHAWBA-ZDUSSCGKSA-N 1 1 243.354 2.084 20 30 BEEDMO CCC[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000602607866 349630657 /nfs/dbraw/zinc/63/06/57/349630657.db2.gz KIWSGFZAFGQACS-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO C=C(C)C[N@@H+](CC)CCOC1CCOCC1 ZINC000625063398 342847568 /nfs/dbraw/zinc/84/75/68/342847568.db2.gz NZNMMUSCUJBKQV-UHFFFAOYSA-N 1 1 227.348 2.080 20 30 BEEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CC1 ZINC000069238173 398310943 /nfs/dbraw/zinc/31/09/43/398310943.db2.gz TUFNIRLCPXIRML-HNNXBMFYSA-N 1 1 244.338 2.324 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)o1 ZINC000342828240 342865343 /nfs/dbraw/zinc/86/53/43/342865343.db2.gz XFMUKJLSPVUDKG-GFCCVEGCSA-N 1 1 248.326 2.278 20 30 BEEDMO Cc1[nH]ncc1[C@H](C)[NH2+]CCCCC#N ZINC000134557175 342865762 /nfs/dbraw/zinc/86/57/62/342865762.db2.gz XXYCLKASTDXJNT-VIFPVBQESA-N 1 1 206.293 2.063 20 30 BEEDMO N#Cc1csc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000342843978 342877278 /nfs/dbraw/zinc/87/72/78/342877278.db2.gz ZMFWULUAKPWQLA-CYBMUJFWSA-N 1 1 248.351 2.375 20 30 BEEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000602609530 349633542 /nfs/dbraw/zinc/63/35/42/349633542.db2.gz DBVFHRAHKOVWBR-CMPLNLGQSA-N 1 1 232.331 2.436 20 30 BEEDMO CCCC[C@@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC ZINC000602609582 349633644 /nfs/dbraw/zinc/63/36/44/349633644.db2.gz DMFQJZBWVLWEIV-VXGBXAGGSA-N 1 1 240.347 2.248 20 30 BEEDMO C#CCN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159495096 398314065 /nfs/dbraw/zinc/31/40/65/398314065.db2.gz JENCQPOUCFNGKJ-CYBMUJFWSA-N 1 1 246.329 2.138 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1ccc2nccnc2c1 ZINC000602611847 349635595 /nfs/dbraw/zinc/63/55/95/349635595.db2.gz GWGWEHIEQIQYSE-UHFFFAOYSA-N 1 1 240.310 2.269 20 30 BEEDMO C[C@H](CCC#N)C[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000602613409 349636325 /nfs/dbraw/zinc/63/63/25/349636325.db2.gz ZIYMLVPSAHGWQH-MNOVXSKESA-N 1 1 240.347 2.246 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1N ZINC000602613776 349637245 /nfs/dbraw/zinc/63/72/45/349637245.db2.gz WEPZRJZHDMGOAF-JTQLQIEISA-N 1 1 221.279 2.190 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)C1CCC(OC)CC1 ZINC000351599679 136247373 /nfs/dbraw/zinc/24/73/73/136247373.db2.gz XCBZDQLHDQELFM-MOKVOYLWSA-N 1 1 241.375 2.203 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000602618792 349639662 /nfs/dbraw/zinc/63/96/62/349639662.db2.gz FQJOWCLCZYCBCI-DGCLKSJQSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000602621477 349641164 /nfs/dbraw/zinc/64/11/64/349641164.db2.gz IABDCZGJNKQKJE-LLVKDONJSA-N 1 1 224.348 2.162 20 30 BEEDMO CC1(C#N)CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602601656 349647393 /nfs/dbraw/zinc/64/73/93/349647393.db2.gz AJZJKUJKRQDMMC-UHFFFAOYSA-N 1 1 240.310 2.079 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000602653403 349660312 /nfs/dbraw/zinc/66/03/12/349660312.db2.gz ZUEWHBCEAPWTSQ-STQMWFEESA-N 1 1 224.348 2.163 20 30 BEEDMO Cc1noc([C@@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC000602655023 349661023 /nfs/dbraw/zinc/66/10/23/349661023.db2.gz NRCQOZSOUSMTOZ-JQWIXIFHSA-N 1 1 248.330 2.455 20 30 BEEDMO CC(=O)Nc1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000602641380 349653968 /nfs/dbraw/zinc/65/39/68/349653968.db2.gz AOYCAJPKMCOKAX-UHFFFAOYSA-N 1 1 243.310 2.038 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000119866548 398329786 /nfs/dbraw/zinc/32/97/86/398329786.db2.gz GNHREYVXBITPAE-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000602647668 349658375 /nfs/dbraw/zinc/65/83/75/349658375.db2.gz JWWPHIIKNGNDOK-BZPMIXESSA-N 1 1 236.359 2.426 20 30 BEEDMO CO[C@](C)(C[N@@H+](C)CC(C)(C)C#N)C1CC1 ZINC000602676019 349669259 /nfs/dbraw/zinc/66/92/59/349669259.db2.gz OWKSCUOSQLJNNM-CYBMUJFWSA-N 1 1 224.348 2.283 20 30 BEEDMO C[C@H](CCC#N)C[NH2+]C1(C(F)F)CC1 ZINC000602658630 349663543 /nfs/dbraw/zinc/66/35/43/349663543.db2.gz MNADEHFGIZHULX-MRVPVSSYSA-N 1 1 202.248 2.314 20 30 BEEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CCN1C ZINC000602629823 349665176 /nfs/dbraw/zinc/66/51/76/349665176.db2.gz JGWPJMLEHTZLBT-KGLIPLIRSA-N 1 1 237.391 2.198 20 30 BEEDMO CC(C)[C@@H]1CN(C[C@H](C)CCC#N)CC[N@@H+]1C ZINC000602629823 349665177 /nfs/dbraw/zinc/66/51/77/349665177.db2.gz JGWPJMLEHTZLBT-KGLIPLIRSA-N 1 1 237.391 2.198 20 30 BEEDMO CC(C)[C@@H]1CN(C[C@H](C)CCC#N)CC[N@H+]1C ZINC000602629823 349665178 /nfs/dbraw/zinc/66/51/78/349665178.db2.gz JGWPJMLEHTZLBT-KGLIPLIRSA-N 1 1 237.391 2.198 20 30 BEEDMO C=CC[N@H+](CCOC)C[C@H](C)CCC#N ZINC000602629403 349665227 /nfs/dbraw/zinc/66/52/27/349665227.db2.gz GFTAOEZCPORZLY-GFCCVEGCSA-N 1 1 210.321 2.061 20 30 BEEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCOC1 ZINC000602673634 349667434 /nfs/dbraw/zinc/66/74/34/349667434.db2.gz AFJQCGDFAHHIKO-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@H](C)OC ZINC000602673809 349667735 /nfs/dbraw/zinc/66/77/35/349667735.db2.gz CRVPJWVPDLVRBN-NEPJUHHUSA-N 1 1 212.337 2.283 20 30 BEEDMO CO[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C[C@H]1C ZINC000602685462 349677301 /nfs/dbraw/zinc/67/73/01/349677301.db2.gz PPRMDRPVLGSFSO-YNEHKIRRSA-N 1 1 224.348 2.283 20 30 BEEDMO C=C(C)CC[N@H+](CC)Cc1cnn(C)c1 ZINC000351730718 136250776 /nfs/dbraw/zinc/25/07/76/136250776.db2.gz RCYSYLLTMLWHBO-UHFFFAOYSA-N 1 1 207.321 2.208 20 30 BEEDMO Cc1cccn2c(C[NH2+]CC3(C#N)CC3)cnc12 ZINC000576807349 365689740 /nfs/dbraw/zinc/68/97/40/365689740.db2.gz DYBOYHFQGIVPLV-UHFFFAOYSA-N 1 1 240.310 2.036 20 30 BEEDMO CO[C@](C)(C[N@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000602718932 349687723 /nfs/dbraw/zinc/68/77/23/349687723.db2.gz UEBZWSSCSKFATE-CHWSQXEVSA-N 1 1 222.332 2.037 20 30 BEEDMO CC(C)n1cnnc1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602668662 349684824 /nfs/dbraw/zinc/68/48/24/349684824.db2.gz DRLSGCQPPLANIL-LBPRGKRZSA-N 1 1 249.362 2.231 20 30 BEEDMO CC(C)n1cnnc1C[N@H+](C)C[C@@H](C)CCC#N ZINC000602668662 349684827 /nfs/dbraw/zinc/68/48/27/349684827.db2.gz DRLSGCQPPLANIL-LBPRGKRZSA-N 1 1 249.362 2.231 20 30 BEEDMO N#CCCC[N@H+]1CCc2sccc2C1 ZINC000019514789 342950571 /nfs/dbraw/zinc/95/05/71/342950571.db2.gz MCPRQHKJHHIDPF-UHFFFAOYSA-N 1 1 206.314 2.410 20 30 BEEDMO CC(C)C[N@@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602659445 349680276 /nfs/dbraw/zinc/68/02/76/349680276.db2.gz OBSZKOWAQYIJBX-CQSZACIVSA-N 1 1 239.407 2.446 20 30 BEEDMO C[C@@]1(C#N)CC[N@@H+](CC2CCSCC2)C1 ZINC000602718877 349687548 /nfs/dbraw/zinc/68/75/48/349687548.db2.gz RUTALHOLXBIPPL-LBPRGKRZSA-N 1 1 224.373 2.365 20 30 BEEDMO COCCCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602695826 349692455 /nfs/dbraw/zinc/69/24/55/349692455.db2.gz PHTBEMPMBBBCNZ-LBPRGKRZSA-N 1 1 212.337 2.285 20 30 BEEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000351781835 136254080 /nfs/dbraw/zinc/25/40/80/136254080.db2.gz PESAWTHPGKCBKB-RISCZKNCSA-N 1 1 249.741 2.004 20 30 BEEDMO CC[C@@](C)(C[N@H+]1CCC[C@H](CC#N)C1)OC ZINC000602704991 349698846 /nfs/dbraw/zinc/69/88/46/349698846.db2.gz IZNVLSHXIYMDBS-OLZOCXBDSA-N 1 1 224.348 2.427 20 30 BEEDMO C=C(C)CC[N@@H+]1CCN(CCC)C(=O)C1(C)C ZINC000351832438 136256176 /nfs/dbraw/zinc/25/61/76/136256176.db2.gz FPEFFFGJAGNDCT-UHFFFAOYSA-N 1 1 238.375 2.285 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000602707833 349700820 /nfs/dbraw/zinc/70/08/20/349700820.db2.gz JSQOTMSSAFQYOJ-OCCSQVGLSA-N 1 1 236.359 2.163 20 30 BEEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCOC1 ZINC000309022007 133453197 /nfs/dbraw/zinc/45/31/97/133453197.db2.gz VJUDIFSNPZULDQ-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO Cc1noc([C@@H](C)[N@H+](C)C[C@H](C)CCC#N)n1 ZINC000602708534 349701817 /nfs/dbraw/zinc/70/18/17/349701817.db2.gz IVRBUJWUWKMMRM-NXEZZACHSA-N 1 1 236.319 2.311 20 30 BEEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCN(C)C1 ZINC000602700675 349696106 /nfs/dbraw/zinc/69/61/06/349696106.db2.gz NBMCLNGCAKHDKF-KGLIPLIRSA-N 1 1 237.391 2.342 20 30 BEEDMO CC[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCCOC1 ZINC000602700408 349696403 /nfs/dbraw/zinc/69/64/03/349696403.db2.gz UJQJKLGLOJFDGY-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CCCCC ZINC000362960466 346908708 /nfs/dbraw/zinc/90/87/08/346908708.db2.gz NXISVEAFEQHTAS-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H](CC(C)C)C(=O)OC ZINC000351852516 136257674 /nfs/dbraw/zinc/25/76/74/136257674.db2.gz AUZMHRVKZFCAMR-LBPRGKRZSA-N 1 1 227.348 2.472 20 30 BEEDMO C=C(C)C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C(=O)OC ZINC000602734415 349719897 /nfs/dbraw/zinc/71/98/97/349719897.db2.gz OBNOZGSAOSLWTK-WOPDTQHZSA-N 1 1 225.332 2.272 20 30 BEEDMO C=C(C)C[C@@H]([NH2+]C1CCCCC1)C(=O)OC ZINC000602734598 349720148 /nfs/dbraw/zinc/72/01/48/349720148.db2.gz PTGHEUMRSANIFC-GFCCVEGCSA-N 1 1 225.332 2.417 20 30 BEEDMO CN(Cc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000053245245 1172019066 /nfs/dbraw/zinc/01/90/66/1172019066.db2.gz BJTPQKKLVIUPSK-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CN1CCC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000053245245 1172019078 /nfs/dbraw/zinc/01/90/78/1172019078.db2.gz BJTPQKKLVIUPSK-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CN1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000053245245 1172019083 /nfs/dbraw/zinc/01/90/83/1172019083.db2.gz BJTPQKKLVIUPSK-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO C[C@@H](CNCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000307223913 259337634 /nfs/dbraw/zinc/33/76/34/259337634.db2.gz AJWBUJVWOIQRSM-ZDUSSCGKSA-N 1 1 231.343 2.010 20 30 BEEDMO C[C@@H](C[NH2+]CCC#N)N(C)Cc1ccccc1 ZINC000307223913 259337635 /nfs/dbraw/zinc/33/76/35/259337635.db2.gz AJWBUJVWOIQRSM-ZDUSSCGKSA-N 1 1 231.343 2.010 20 30 BEEDMO Cc1sccc1C[NH+]1CCN(CCC#N)CC1 ZINC000602749085 349712530 /nfs/dbraw/zinc/71/25/30/349712530.db2.gz XNRCADPTNVGVED-UHFFFAOYSA-N 1 1 249.383 2.088 20 30 BEEDMO C=C(C)C[C@H]([NH2+]C1CCCC1)C(=O)OC ZINC000602732811 349718084 /nfs/dbraw/zinc/71/80/84/349718084.db2.gz FDXISDMUHIPSQO-NSHDSACASA-N 1 1 211.305 2.026 20 30 BEEDMO C=C(C)C[C@@H]([NH2+]C[C@H]1CC=CCC1)C(=O)OC ZINC000602732755 349718127 /nfs/dbraw/zinc/71/81/27/349718127.db2.gz DJIIASMWIURDQO-QWHCGFSZSA-N 1 1 237.343 2.440 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000351855068 136258468 /nfs/dbraw/zinc/25/84/68/136258468.db2.gz PFYKACVOELNVLC-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CC1CC1)C(=O)OC ZINC000602733596 349718853 /nfs/dbraw/zinc/71/88/53/349718853.db2.gz JOGAGGFRNUKBSK-CMPLNLGQSA-N 1 1 225.332 2.272 20 30 BEEDMO C=C(C)C[C@H]([NH2+][C@H](C)CC1CC1)C(=O)OC ZINC000602733599 349719032 /nfs/dbraw/zinc/71/90/32/349719032.db2.gz JOGAGGFRNUKBSK-PWSUYJOCSA-N 1 1 225.332 2.272 20 30 BEEDMO C=CCC[C@@H](C)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC000602733601 349719046 /nfs/dbraw/zinc/71/90/46/349719046.db2.gz JOVOCVHHYUQINR-NEPJUHHUSA-N 1 1 225.332 2.439 20 30 BEEDMO N#CCC1(C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000602798118 349738614 /nfs/dbraw/zinc/73/86/14/349738614.db2.gz XXBNGGSBPXIPIP-AWEZNQCLSA-N 1 1 248.370 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222.332 2.178 20 30 BEEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602815431 349757921 /nfs/dbraw/zinc/75/79/21/349757921.db2.gz LUYVOACEAYGHQR-UPJWGTAASA-N 1 1 236.359 2.162 20 30 BEEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602815430 349758048 /nfs/dbraw/zinc/75/80/48/349758048.db2.gz LUYVOACEAYGHQR-JHJVBQTASA-N 1 1 236.359 2.162 20 30 BEEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC1(CC#N)CC1 ZINC000602815429 349758075 /nfs/dbraw/zinc/75/80/75/349758075.db2.gz LUYVOACEAYGHQR-FRRDWIJNSA-N 1 1 236.359 2.162 20 30 BEEDMO CN1CCC[C@]2(CC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768072 /nfs/dbraw/zinc/76/80/72/349768072.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 1 1 247.386 2.098 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000329800321 136263127 /nfs/dbraw/zinc/26/31/27/136263127.db2.gz IJDUXZCTDZPOIO-ZYHUDNBSSA-N 1 1 247.342 2.119 20 30 BEEDMO CCc1nocc1C[N@H+](C)CC1(CC#N)CC1 ZINC000602832514 349768628 /nfs/dbraw/zinc/76/86/28/349768628.db2.gz 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C[N@@H+](Cc1ccccc1C#N)[C@@H](CO)C(C)(C)C ZINC000179083984 384487860 /nfs/dbraw/zinc/48/78/60/384487860.db2.gz KENVVFIFBKDUAZ-AWEZNQCLSA-N 1 1 246.354 2.397 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000334416772 384494815 /nfs/dbraw/zinc/49/48/15/384494815.db2.gz OIASOZOBFOXXEC-ZDUSSCGKSA-N 1 1 244.338 2.363 20 30 BEEDMO C=CCCCCC[N@H+](C)CC(=O)NC(C)C ZINC000150900206 384517712 /nfs/dbraw/zinc/51/77/12/384517712.db2.gz QOKKYRQFRSRHBD-UHFFFAOYSA-N 1 1 226.364 2.189 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)CCCCCn1cccn1 ZINC000161775675 384524875 /nfs/dbraw/zinc/52/48/75/384524875.db2.gz FGVNCNHBHCCCHU-ZDUSSCGKSA-N 1 1 234.347 2.287 20 30 BEEDMO C[C@H]1COCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335867796 384529765 /nfs/dbraw/zinc/52/97/65/384529765.db2.gz LFSFHNCKELQPJR-CYBMUJFWSA-N 1 1 244.338 2.221 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000491751852 384541922 /nfs/dbraw/zinc/54/19/22/384541922.db2.gz XLZZZYRIBJUUSU-NSHDSACASA-N 1 1 230.311 2.099 20 30 BEEDMO CCC[N@H+](C)C[C@H]1CCN(CCCCC#N)C1 ZINC000176277382 384589814 /nfs/dbraw/zinc/58/98/14/384589814.db2.gz HOKVKKVHORMVGK-CQSZACIVSA-N 1 1 237.391 2.344 20 30 BEEDMO CCC[N@@H+](C)C[C@H]1CCN(CCCCC#N)C1 ZINC000176277382 384589824 /nfs/dbraw/zinc/58/98/24/384589824.db2.gz HOKVKKVHORMVGK-CQSZACIVSA-N 1 1 237.391 2.344 20 30 BEEDMO C=CCCc1noc(C[N@@H+](C)C(C)C)n1 ZINC000297374824 384630229 /nfs/dbraw/zinc/63/02/29/384630229.db2.gz QSCSOTKQIFLVHC-UHFFFAOYSA-N 1 1 209.293 2.028 20 30 BEEDMO C=CCCc1noc(C[N@H+](C)C(C)C)n1 ZINC000297374824 384630238 /nfs/dbraw/zinc/63/02/38/384630238.db2.gz QSCSOTKQIFLVHC-UHFFFAOYSA-N 1 1 209.293 2.028 20 30 BEEDMO C[C@H](O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187694330 384593982 /nfs/dbraw/zinc/59/39/82/384593982.db2.gz FAXKFGQFNLUCIT-RYUDHWBXSA-N 1 1 232.327 2.322 20 30 BEEDMO CSc1ccc(C[NH2+]CCC#N)cc1 ZINC000020200103 384595306 /nfs/dbraw/zinc/59/53/06/384595306.db2.gz XUPOTYOHEONDTN-UHFFFAOYSA-N 1 1 206.314 2.412 20 30 BEEDMO C=C(C)CN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000104248892 384668500 /nfs/dbraw/zinc/66/85/00/384668500.db2.gz PVMUJWRNUBYRQI-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000491785622 384690486 /nfs/dbraw/zinc/69/04/86/384690486.db2.gz SNFAQSDDMFXRJX-ZDUSSCGKSA-N 1 1 239.322 2.326 20 30 BEEDMO C#C[C@H](C)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368051249 384715898 /nfs/dbraw/zinc/71/58/98/384715898.db2.gz LHXUDOQJYHVWJY-LZWOXQAQSA-N 1 1 242.366 2.433 20 30 BEEDMO C#C[C@H](C)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368051249 384715901 /nfs/dbraw/zinc/71/59/01/384715901.db2.gz LHXUDOQJYHVWJY-LZWOXQAQSA-N 1 1 242.366 2.433 20 30 BEEDMO C[N@H+](CCCO)Cc1ccc(C#N)cc1Cl ZINC000300774989 384881322 /nfs/dbraw/zinc/88/13/22/384881322.db2.gz DNBLOBMVMXGMCP-UHFFFAOYSA-N 1 1 238.718 2.026 20 30 BEEDMO C[N@@H+](CCCO)Cc1ccc(C#N)cc1Cl ZINC000300774989 384881326 /nfs/dbraw/zinc/88/13/26/384881326.db2.gz DNBLOBMVMXGMCP-UHFFFAOYSA-N 1 1 238.718 2.026 20 30 BEEDMO C#CC[N@H+](Cc1ccc(O)c(OCC)c1)C1CC1 ZINC000297624029 384862008 /nfs/dbraw/zinc/86/20/08/384862008.db2.gz LMAOEWZARNASKP-UHFFFAOYSA-N 1 1 245.322 2.389 20 30 BEEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1C(=O)NC ZINC000193327974 384952563 /nfs/dbraw/zinc/95/25/63/384952563.db2.gz AILQGVNGCWAOFW-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO CC#CCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156772084 384952516 /nfs/dbraw/zinc/95/25/16/384952516.db2.gz FRNQOAVERWHGFC-ZIAGYGMSSA-N 1 1 231.343 2.179 20 30 BEEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](C)CCC ZINC000297785564 384922074 /nfs/dbraw/zinc/92/20/74/384922074.db2.gz GXHDCCFLSFDUAD-CHWSQXEVSA-N 1 1 238.375 2.354 20 30 BEEDMO CC(C)[N@@H+](C)CC1CCN(C(C)(C)C#N)CC1 ZINC000559451374 384925975 /nfs/dbraw/zinc/92/59/75/384925975.db2.gz SVFVDBJNCCMWAU-UHFFFAOYSA-N 1 1 237.391 2.341 20 30 BEEDMO CC#CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000156793440 384960095 /nfs/dbraw/zinc/96/00/95/384960095.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 1 1 246.398 2.349 20 30 BEEDMO CC#CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156793440 384960103 /nfs/dbraw/zinc/96/01/03/384960103.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 1 1 246.398 2.349 20 30 BEEDMO CC#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000156793440 384960112 /nfs/dbraw/zinc/96/01/12/384960112.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 1 1 246.398 2.349 20 30 BEEDMO CC#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000156793440 384960115 /nfs/dbraw/zinc/96/01/15/384960115.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 1 1 246.398 2.349 20 30 BEEDMO COc1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000258913488 384947623 /nfs/dbraw/zinc/94/76/23/384947623.db2.gz MMTLLFWCIVHBQN-UHFFFAOYSA-N 1 1 230.311 2.479 20 30 BEEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOCCC#N ZINC000339063497 384970875 /nfs/dbraw/zinc/97/08/75/384970875.db2.gz YHHPWWPXILXBCU-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C#N)CC1 ZINC000555709382 384973377 /nfs/dbraw/zinc/97/33/77/384973377.db2.gz CFFFUEBXNAPUFV-UHFFFAOYSA-N 1 1 245.282 2.297 20 30 BEEDMO C=CCCC[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000530699473 385019541 /nfs/dbraw/zinc/01/95/41/385019541.db2.gz YMTNZMQGQIJBIC-UHFFFAOYSA-N 1 1 241.375 2.205 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(F)c1O ZINC000165162049 385078831 /nfs/dbraw/zinc/07/88/31/385078831.db2.gz SNGBORRIZRDACV-JTQLQIEISA-N 1 1 222.263 2.313 20 30 BEEDMO Cc1[nH+]ccn1Cc1ccc(CC#N)cc1 ZINC000336272368 385114799 /nfs/dbraw/zinc/11/47/99/385114799.db2.gz GNDVTFVHSMLETG-UHFFFAOYSA-N 1 1 211.268 2.306 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000559638219 385089070 /nfs/dbraw/zinc/08/90/70/385089070.db2.gz CVTMEBMQRBRYJP-HUUCEWRRSA-N 1 1 246.354 2.198 20 30 BEEDMO CC[N@H+](CCNCc1ccc(C#N)s1)C1CC1 ZINC000176960431 385185022 /nfs/dbraw/zinc/18/50/22/385185022.db2.gz MMYBCFPIIHUNNA-UHFFFAOYSA-N 1 1 249.383 2.194 20 30 BEEDMO CC[N@@H+](CCNCc1ccc(C#N)s1)C1CC1 ZINC000176960431 385185030 /nfs/dbraw/zinc/18/50/30/385185030.db2.gz MMYBCFPIIHUNNA-UHFFFAOYSA-N 1 1 249.383 2.194 20 30 BEEDMO 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CC(C)[N@@H+](C)CCCNCc1cccc(C#N)c1 ZINC000221780976 385506036 /nfs/dbraw/zinc/50/60/36/385506036.db2.gz LMVHDLZZUWUKRS-UHFFFAOYSA-N 1 1 245.370 2.378 20 30 BEEDMO COC(=O)C1([NH2+]CCCCC#N)CCCCC1 ZINC000109800413 385489260 /nfs/dbraw/zinc/48/92/60/385489260.db2.gz NGPVEXADQOERTL-UHFFFAOYSA-N 1 1 238.331 2.146 20 30 BEEDMO CCCC[C@H](CN)[NH2+]Cc1cccc(C#N)c1 ZINC000564335550 385528777 /nfs/dbraw/zinc/52/87/77/385528777.db2.gz OLCSUWGSBVVZAB-CQSZACIVSA-N 1 1 231.343 2.165 20 30 BEEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000158052813 385545085 /nfs/dbraw/zinc/54/50/85/385545085.db2.gz QRQAAUXXNDMSIU-SECBINFHSA-N 1 1 204.273 2.382 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C(F)F)C1 ZINC000591021356 385552150 /nfs/dbraw/zinc/55/21/50/385552150.db2.gz AUMVXNOISXFZQS-BDAKNGLRSA-N 1 1 202.248 2.266 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCCCn1cc(C)cn1 ZINC000491698539 385562191 /nfs/dbraw/zinc/56/21/91/385562191.db2.gz HTYGPVSIDHFEII-CQSZACIVSA-N 1 1 233.359 2.315 20 30 BEEDMO N#CC[C@@]1(O)CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000592146346 385568315 /nfs/dbraw/zinc/56/83/15/385568315.db2.gz BVAKTFNMGLOKMB-NFBGWVBBSA-N 1 1 242.322 2.050 20 30 BEEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411768753 385606127 /nfs/dbraw/zinc/60/61/27/385606127.db2.gz GGPCJIHLIWISCY-UONOGXRCSA-N 1 1 238.375 2.409 20 30 BEEDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CC[C@@H](C#N)C2)C1 ZINC000595056144 385618921 /nfs/dbraw/zinc/61/89/21/385618921.db2.gz BKBQOAZYOHMYRH-AGIUHOORSA-N 1 1 235.375 2.141 20 30 BEEDMO CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[C@@H](C#N)C2)C1 ZINC000595056144 385618928 /nfs/dbraw/zinc/61/89/28/385618928.db2.gz BKBQOAZYOHMYRH-AGIUHOORSA-N 1 1 235.375 2.141 20 30 BEEDMO C#CC[N@H+](CCOCC=C)Cc1ccccc1 ZINC000293531553 533134222 /nfs/dbraw/zinc/13/42/22/533134222.db2.gz JKSIOSMQNFPJMF-UHFFFAOYSA-N 1 1 229.323 2.324 20 30 BEEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC)CC1 ZINC000340087745 385658970 /nfs/dbraw/zinc/65/89/70/385658970.db2.gz DZHPGQFHKYWSME-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)C12CCC2 ZINC000451827274 385680813 /nfs/dbraw/zinc/68/08/13/385680813.db2.gz GPFCXRIZDWKMSC-VXGBXAGGSA-N 1 1 222.332 2.180 20 30 BEEDMO C=CCOCC[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451830344 385693135 /nfs/dbraw/zinc/69/31/35/385693135.db2.gz CKASSBLBLZKYPT-STQMWFEESA-N 1 1 239.359 2.078 20 30 BEEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000159187769 385758004 /nfs/dbraw/zinc/75/80/04/385758004.db2.gz VBQXDXHILOPRBL-IUODEOHRSA-N 1 1 244.338 2.294 20 30 BEEDMO CC#CCN(C)c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645250338 385782953 /nfs/dbraw/zinc/78/29/53/385782953.db2.gz ZLIVTRAFBAPMID-UHFFFAOYSA-N 1 1 228.299 2.034 20 30 BEEDMO CC[N@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000054109865 385811794 /nfs/dbraw/zinc/81/17/94/385811794.db2.gz PBXWIIUBDMTZAK-LBPRGKRZSA-N 1 1 231.343 2.161 20 30 BEEDMO CC[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000054109865 385811799 /nfs/dbraw/zinc/81/17/99/385811799.db2.gz PBXWIIUBDMTZAK-LBPRGKRZSA-N 1 1 231.343 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233.359 2.486 20 30 BEEDMO CN1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]2CCC[C@@H]21 ZINC000414159852 386044640 /nfs/dbraw/zinc/04/46/40/386044640.db2.gz CBWAINNHRUEYAG-RDBSUJKOSA-N 1 1 249.402 2.389 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000334589200 386093259 /nfs/dbraw/zinc/09/32/59/386093259.db2.gz KNEPRBPRPZBLLX-CHWSQXEVSA-N 1 1 244.338 2.362 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1ccc(C)nn1 ZINC000414365401 386148018 /nfs/dbraw/zinc/14/80/18/386148018.db2.gz LKYMXYVFXXHDDM-UHFFFAOYSA-N 1 1 205.305 2.183 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000263667754 386163492 /nfs/dbraw/zinc/16/34/92/386163492.db2.gz GPXDBTGZOAXQNA-LBPRGKRZSA-N 1 1 245.326 2.107 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000263667754 386163497 /nfs/dbraw/zinc/16/34/97/386163497.db2.gz GPXDBTGZOAXQNA-LBPRGKRZSA-N 1 1 245.326 2.107 20 30 BEEDMO C=CCOCC[N@H+](CCC#N)CCC(C)C ZINC000339009226 386207069 /nfs/dbraw/zinc/20/70/69/386207069.db2.gz CCZCVTXTCUKGPR-UHFFFAOYSA-N 1 1 224.348 2.451 20 30 BEEDMO C=CCOCC[N@@H+](CCC#N)CCC(C)C ZINC000339009226 386207077 /nfs/dbraw/zinc/20/70/77/386207077.db2.gz CCZCVTXTCUKGPR-UHFFFAOYSA-N 1 1 224.348 2.451 20 30 BEEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000347070910 386215604 /nfs/dbraw/zinc/21/56/04/386215604.db2.gz OEIVILIXPXOZSY-UHFFFAOYSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CCOc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC000347034087 386223082 /nfs/dbraw/zinc/22/30/82/386223082.db2.gz BWTRKQGUXOEXAV-AWEZNQCLSA-N 1 1 246.354 2.032 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cnc(CC)nc1 ZINC000414399677 386297485 /nfs/dbraw/zinc/29/74/85/386297485.db2.gz VOMIITOFTIXENA-UHFFFAOYSA-N 1 1 219.332 2.437 20 30 BEEDMO CC[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000034674452 386265175 /nfs/dbraw/zinc/26/51/75/386265175.db2.gz SQWLJHVSIJRHCP-UHFFFAOYSA-N 1 1 230.311 2.421 20 30 BEEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCC(C)(C)C#N)C1 ZINC000347169587 386265859 /nfs/dbraw/zinc/26/58/59/386265859.db2.gz OSDIAHJUPKTITM-TZMCWYRMSA-N 1 1 238.375 2.409 20 30 BEEDMO C=CCC1(C(=O)NCC[N@@H+]2CC=CCC2)CCC1 ZINC000280249161 386351549 /nfs/dbraw/zinc/35/15/49/386351549.db2.gz NNXTVBVZUOTPFN-UHFFFAOYSA-N 1 1 248.370 2.111 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)nn1 ZINC000335269662 386353247 /nfs/dbraw/zinc/35/32/47/386353247.db2.gz MCLUJJVRHLAMFO-ZDUSSCGKSA-N 1 1 217.316 2.326 20 30 BEEDMO C=C(C)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000319954753 386363200 /nfs/dbraw/zinc/36/32/00/386363200.db2.gz AFSNSVFQVVNTEZ-LLVKDONJSA-N 1 1 227.348 2.472 20 30 BEEDMO CC[N@@H+](CC[C@H]1CCCCO1)C[C@H](C)C#N ZINC000347394969 386382200 /nfs/dbraw/zinc/38/22/00/386382200.db2.gz BRGMRJCLYOBYDU-CHWSQXEVSA-N 1 1 224.348 2.427 20 30 BEEDMO CC[N@@H+](CC[C@@H]1CCCCO1)C[C@H](C)C#N ZINC000347394970 386382368 /nfs/dbraw/zinc/38/23/68/386382368.db2.gz BRGMRJCLYOBYDU-OLZOCXBDSA-N 1 1 224.348 2.427 20 30 BEEDMO CC[N@H+](CCC#N)[C@@H](COC)Cc1ccccc1 ZINC000347356469 386394740 /nfs/dbraw/zinc/39/47/40/386394740.db2.gz RAONMXFWPGHMGR-OAHLLOKOSA-N 1 1 246.354 2.480 20 30 BEEDMO CC[N@@H+](CCC#N)[C@@H](COC)Cc1ccccc1 ZINC000347356469 386394742 /nfs/dbraw/zinc/39/47/42/386394742.db2.gz RAONMXFWPGHMGR-OAHLLOKOSA-N 1 1 246.354 2.480 20 30 BEEDMO CO[C@@H](C)C[N@@H+](CC1(C#N)CC1)C(C)C ZINC000347478126 386435285 /nfs/dbraw/zinc/43/52/85/386435285.db2.gz LQXQXLVVAOWKKL-NSHDSACASA-N 1 1 210.321 2.035 20 30 BEEDMO C=CCOc1ccccc1C[N@@H+](C)CCCCO ZINC000471806677 386574743 /nfs/dbraw/zinc/57/47/43/386574743.db2.gz XTRBLWCIRJMNAK-UHFFFAOYSA-N 1 1 249.354 2.456 20 30 BEEDMO CC#CC[N@H+](C)CCOc1ccc(OCC)cc1 ZINC000339759550 386593919 /nfs/dbraw/zinc/59/39/19/386593919.db2.gz HHKXEAPCZVZMMA-UHFFFAOYSA-N 1 1 247.338 2.419 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc[nH]n1 ZINC000330363647 386673320 /nfs/dbraw/zinc/67/33/20/386673320.db2.gz NPCWBNLZTUODND-UHFFFAOYSA-N 1 1 220.320 2.171 20 30 BEEDMO C=CCOCC[N@H+](CC)CCC(F)(F)F ZINC000645082918 386709263 /nfs/dbraw/zinc/70/92/63/386709263.db2.gz FDMUKRNKQTYUQT-UHFFFAOYSA-N 1 1 225.254 2.463 20 30 BEEDMO CN(c1cccc(F)c1C#N)[C@@H]1CCC[N@@H+](C)C1 ZINC000088058160 386698800 /nfs/dbraw/zinc/69/88/00/386698800.db2.gz VXXRNIVFERIROR-LLVKDONJSA-N 1 1 247.317 2.228 20 30 BEEDMO C[C@H](CCC#N)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000411484765 386820716 /nfs/dbraw/zinc/82/07/16/386820716.db2.gz HRTVKSHKKRUYCZ-JHJVBQTASA-N 1 1 224.348 2.162 20 30 BEEDMO CC[C@@H]1C[N@H+](CCCC#N)C[C@H](CC)O1 ZINC000398474308 386829715 /nfs/dbraw/zinc/82/97/15/386829715.db2.gz QXTLPOXWBMUFRU-TXEJJXNPSA-N 1 1 210.321 2.180 20 30 BEEDMO CC(C)n1cncc1C[NH2+]CC1(C#N)CCC1 ZINC000425341863 386844239 /nfs/dbraw/zinc/84/42/39/386844239.db2.gz FDDGYQYEIMDUQL-UHFFFAOYSA-N 1 1 232.331 2.247 20 30 BEEDMO C#CC[N@H+](Cc1cn(C)nc1C)C1CCCC1 ZINC000093819712 386850118 /nfs/dbraw/zinc/85/01/18/386850118.db2.gz GQNREJGOPDAAPT-UHFFFAOYSA-N 1 1 231.343 2.106 20 30 BEEDMO CC(C)[NH+]1CCN([C@@H](C)CCCC#N)CC1 ZINC001172490986 974837718 /nfs/dbraw/zinc/83/77/18/974837718.db2.gz BGOIAWQNEHHCQX-ZDUSSCGKSA-N 1 1 223.364 2.095 20 30 BEEDMO C=CCSCC[NH2+][C@@H](C)[C@@H]1CCCCN1 ZINC000395090425 386857246 /nfs/dbraw/zinc/85/72/46/386857246.db2.gz UKRYXMVGAVRFLH-RYUDHWBXSA-N 1 1 228.405 2.026 20 30 BEEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398795910 386993919 /nfs/dbraw/zinc/99/39/19/386993919.db2.gz RITLJJIRLGLNEZ-XQQFMLRXSA-N 1 1 209.333 2.045 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)nn1C ZINC000334941132 387018807 /nfs/dbraw/zinc/01/88/07/387018807.db2.gz UCDAYLOWSXKVPX-LBPRGKRZSA-N 1 1 219.332 2.269 20 30 BEEDMO C[C@@H](N[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000168644413 387025129 /nfs/dbraw/zinc/02/51/29/387025129.db2.gz YVZRENFHRXHTCJ-NWDGAFQWSA-N 1 1 231.343 2.159 20 30 BEEDMO C[C@@H](C[NH+](C)C)N[C@@H](C)c1cccc(C#N)c1 ZINC000168644229 387025501 /nfs/dbraw/zinc/02/55/01/387025501.db2.gz YVZRENFHRXHTCJ-RYUDHWBXSA-N 1 1 231.343 2.159 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000130291000 387072737 /nfs/dbraw/zinc/07/27/37/387072737.db2.gz VTXUGBNQXODRCB-JTQLQIEISA-N 1 1 236.340 2.231 20 30 BEEDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000124182328 387090482 /nfs/dbraw/zinc/09/04/82/387090482.db2.gz IFGYGIPZLHMWSW-CQSZACIVSA-N 1 1 248.301 2.044 20 30 BEEDMO C=CCC[C@@H]([NH2+]CCNCCC)C1CC1 ZINC000423310778 387148221 /nfs/dbraw/zinc/14/82/21/387148221.db2.gz OJECQGYGBQTIIV-CYBMUJFWSA-N 1 1 210.365 2.320 20 30 BEEDMO Cc1ncccc1C[NH2+]CC1(C#N)CCC1 ZINC000418144044 387166395 /nfs/dbraw/zinc/16/63/95/387166395.db2.gz SCRYUXOGSFARTE-UHFFFAOYSA-N 1 1 215.300 2.174 20 30 BEEDMO CCCn1cc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418145419 387167429 /nfs/dbraw/zinc/16/74/29/387167429.db2.gz XZNLLOCLNSISGN-UHFFFAOYSA-N 1 1 232.331 2.077 20 30 BEEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H](N)C1CC1 ZINC000423328050 387170644 /nfs/dbraw/zinc/17/06/44/387170644.db2.gz RWLVHFZFNSJHMW-WCQYABFASA-N 1 1 210.365 2.448 20 30 BEEDMO C=CCCCC[N@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000571869120 387182055 /nfs/dbraw/zinc/18/20/55/387182055.db2.gz UKPCCIKBONIBAM-LBPRGKRZSA-N 1 1 247.404 2.098 20 30 BEEDMO CC#CC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000119468532 387136226 /nfs/dbraw/zinc/13/62/26/387136226.db2.gz CJOHPSVHYBRBIA-UHFFFAOYSA-N 1 1 221.344 2.435 20 30 BEEDMO CC#CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119468532 387136230 /nfs/dbraw/zinc/13/62/30/387136230.db2.gz CJOHPSVHYBRBIA-UHFFFAOYSA-N 1 1 221.344 2.435 20 30 BEEDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121673683 387140487 /nfs/dbraw/zinc/14/04/87/387140487.db2.gz KFAPEHKXAICKBG-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO Cc1nccn1CCC[N@H+](C)[C@H](C)CCC#N ZINC000571979322 387215606 /nfs/dbraw/zinc/21/56/06/387215606.db2.gz CHZPAWGXDDABQL-GFCCVEGCSA-N 1 1 234.347 2.206 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000424645979 387233001 /nfs/dbraw/zinc/23/30/01/387233001.db2.gz SKIXQUPBGARZML-UHFFFAOYSA-N 1 1 238.375 2.189 20 30 BEEDMO CC1(C)CCCN[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423380141 387262866 /nfs/dbraw/zinc/26/28/66/387262866.db2.gz GZHCSFXFKPCCHP-BFHYXJOUSA-N 1 1 249.402 2.437 20 30 BEEDMO CO[C@@]1(C)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000230265304 387265418 /nfs/dbraw/zinc/26/54/18/387265418.db2.gz PLTPBNZJRLTDPZ-ZDUSSCGKSA-N 1 1 224.348 2.427 20 30 BEEDMO CCN1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459730047 387274901 /nfs/dbraw/zinc/27/49/01/387274901.db2.gz LGTLJSQJFPNEMY-CHWSQXEVSA-N 1 1 237.391 2.246 20 30 BEEDMO CCN1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459730052 387275749 /nfs/dbraw/zinc/27/57/49/387275749.db2.gz LGTLJSQJFPNEMY-OLZOCXBDSA-N 1 1 237.391 2.246 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000189720109 387288880 /nfs/dbraw/zinc/28/88/80/387288880.db2.gz CKNQSQKINLXQIW-HNNXBMFYSA-N 1 1 231.339 2.283 20 30 BEEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H](CO)C(C)(C)C ZINC000269698444 387371097 /nfs/dbraw/zinc/37/10/97/387371097.db2.gz XWZWWNHABKVOAA-CQSZACIVSA-N 1 1 246.354 2.397 20 30 BEEDMO Cc1nc2ccccn2c1C[NH2+]CC(C)(C)C#N ZINC000168940575 387371818 /nfs/dbraw/zinc/37/18/18/387371818.db2.gz JEKKGTNZWRLRJJ-UHFFFAOYSA-N 1 1 242.326 2.282 20 30 BEEDMO COc1cc(C[NH2+]CC(C)(C)C#N)cc(OC)c1 ZINC000168936981 387372173 /nfs/dbraw/zinc/37/21/73/387372173.db2.gz VQNGTFMYPQLLGS-UHFFFAOYSA-N 1 1 248.326 2.343 20 30 BEEDMO C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000162242443 387335329 /nfs/dbraw/zinc/33/53/29/387335329.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000162242443 387335332 /nfs/dbraw/zinc/33/53/32/387335332.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCCC1 ZINC000162242443 387335336 /nfs/dbraw/zinc/33/53/36/387335336.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CC[N@@H+](CC[C@@H]1CCCN1C)C1CCCC1 ZINC000162242443 387335341 /nfs/dbraw/zinc/33/53/41/387335341.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CC[N@H+](CC[C@@H]1CCCN1C)C1CCCC1 ZINC000162242443 387335343 /nfs/dbraw/zinc/33/53/43/387335343.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CCN(CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000162242443 387335347 /nfs/dbraw/zinc/33/53/47/387335347.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO C#CCN(CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000162242443 387335349 /nfs/dbraw/zinc/33/53/49/387335349.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 1 234.387 2.349 20 30 BEEDMO CCCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191161843 387350490 /nfs/dbraw/zinc/35/04/90/387350490.db2.gz BGBLYHKGBFIYCU-UHFFFAOYSA-N 1 1 205.305 2.129 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672631 387432841 /nfs/dbraw/zinc/43/28/41/387432841.db2.gz VJOYUAFAHNIAEF-UWVGGRQHSA-N 1 1 237.265 2.055 20 30 BEEDMO CC1CCC(O)(C[N@@H+](C)CC(C)(C)C#N)CC1 ZINC000433297981 387444787 /nfs/dbraw/zinc/44/47/87/387444787.db2.gz MXOSLNPPMQEENM-UHFFFAOYSA-N 1 1 238.375 2.409 20 30 BEEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000266080761 387402084 /nfs/dbraw/zinc/40/20/84/387402084.db2.gz YCCWPUNTFYJXMI-CYBMUJFWSA-N 1 1 219.328 2.446 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268281694 387415162 /nfs/dbraw/zinc/41/51/62/387415162.db2.gz PIGLWZUVUUUTOE-CHWSQXEVSA-N 1 1 233.311 2.191 20 30 BEEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093337637 387497367 /nfs/dbraw/zinc/49/73/67/387497367.db2.gz OEEJAMYJLVUVTM-NSHDSACASA-N 1 1 234.299 2.010 20 30 BEEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@H]1C ZINC000293553186 387526647 /nfs/dbraw/zinc/52/66/47/387526647.db2.gz ZFFUBSFVKZDWIF-WDEREUQCSA-N 1 1 230.311 2.407 20 30 BEEDMO C=CC[C@H]1[N@H+](CCn2cncn2)CCCC1(C)C ZINC000277647071 387539371 /nfs/dbraw/zinc/53/93/71/387539371.db2.gz COGGEICHXNMGRY-CYBMUJFWSA-N 1 1 248.374 2.345 20 30 BEEDMO C=CCCCC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000580414078 387593765 /nfs/dbraw/zinc/59/37/65/387593765.db2.gz HQQWAFNPUPJZMV-ZDUSSCGKSA-N 1 1 238.375 2.332 20 30 BEEDMO CC(C)[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528400109 387594450 /nfs/dbraw/zinc/59/44/50/387594450.db2.gz KCWPTCDWVLMOSJ-OLZOCXBDSA-N 1 1 236.359 2.019 20 30 BEEDMO CC[N@H+](CCC#N)CCCOCC(F)(F)F ZINC000042454583 387628823 /nfs/dbraw/zinc/62/88/23/387628823.db2.gz MSFVYXPDISTIQI-UHFFFAOYSA-N 1 1 238.253 2.191 20 30 BEEDMO CC1=C[C@H](C)C[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430267121 387603959 /nfs/dbraw/zinc/60/39/59/387603959.db2.gz JBECMHRGIWFHHN-WCQYABFASA-N 1 1 217.316 2.328 20 30 BEEDMO CC1=C[C@H](C)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430267121 387603962 /nfs/dbraw/zinc/60/39/62/387603962.db2.gz JBECMHRGIWFHHN-WCQYABFASA-N 1 1 217.316 2.328 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430276146 387605007 /nfs/dbraw/zinc/60/50/07/387605007.db2.gz LOVNJMZYNIDQRJ-ZDUSSCGKSA-N 1 1 248.370 2.085 20 30 BEEDMO Cc1ccnc(NC[C@H](C)[N@@H+](C)C2CC2)c1C#N ZINC000230078099 387621511 /nfs/dbraw/zinc/62/15/11/387621511.db2.gz VMDGEQQTZGCHIX-NSHDSACASA-N 1 1 244.342 2.156 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278824452 387555947 /nfs/dbraw/zinc/55/59/47/387555947.db2.gz IVOGIIKZCHDKTE-GFCCVEGCSA-N 1 1 248.301 2.087 20 30 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238.375 2.189 20 30 BEEDMO C=CCC[C@@H](NCCC[NH3+])c1ccco1 ZINC000423184277 387969136 /nfs/dbraw/zinc/96/91/36/387969136.db2.gz IDDQLCBXNRDFSN-LLVKDONJSA-N 1 1 208.305 2.225 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000248572816 135020101 /nfs/dbraw/zinc/02/01/01/135020101.db2.gz RRWCKGPTPNRNJR-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000424338143 387980714 /nfs/dbraw/zinc/98/07/14/387980714.db2.gz MZPBSJUNSIVMAR-MRVPVSSYSA-N 1 1 248.311 2.492 20 30 BEEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000424338145 387980743 /nfs/dbraw/zinc/98/07/43/387980743.db2.gz MZPBSJUNSIVMAR-QMMMGPOBSA-N 1 1 248.311 2.492 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000194360242 387980920 /nfs/dbraw/zinc/98/09/20/387980920.db2.gz HFDHBWQVQIGICO-QWHCGFSZSA-N 1 1 211.349 2.436 20 30 BEEDMO N#CC1(C[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000445822922 387972664 /nfs/dbraw/zinc/97/26/64/387972664.db2.gz YEGXAGMDUJJHCK-ZDUSSCGKSA-N 1 1 227.311 2.426 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388303044 /nfs/dbraw/zinc/30/30/44/388303044.db2.gz FUVUBRAUIMJDQX-UHFFFAOYSA-N 1 1 222.376 2.392 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000491553743 388303486 /nfs/dbraw/zinc/30/34/86/388303486.db2.gz CGYMHWCFBKDAQL-NSHDSACASA-N 1 1 228.295 2.020 20 30 BEEDMO C#CC(C)(C)NC(=O)C[N@H+](C)CCCCCC ZINC000491568009 388304190 /nfs/dbraw/zinc/30/41/90/388304190.db2.gz OJBRZKFNIAMPDE-UHFFFAOYSA-N 1 1 238.375 2.027 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000491567971 388304196 /nfs/dbraw/zinc/30/41/96/388304196.db2.gz NYLOWEMXPLYWAS-ZDUSSCGKSA-N 1 1 244.294 2.407 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000491617627 388304936 /nfs/dbraw/zinc/30/49/36/388304936.db2.gz CCIVYZZGHSXVST-NSHDSACASA-N 1 1 219.332 2.092 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000491617627 388304937 /nfs/dbraw/zinc/30/49/37/388304937.db2.gz CCIVYZZGHSXVST-NSHDSACASA-N 1 1 219.332 2.092 20 30 BEEDMO C#CC[N@H+](CCCC(=O)OC(C)(C)C)C1CC1 ZINC000491636167 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ZINC000370731481 388693848 /nfs/dbraw/zinc/69/38/48/388693848.db2.gz XEKLWIRMIINATG-ZDUSSCGKSA-N 1 1 245.326 2.206 20 30 BEEDMO CC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539789 388706174 /nfs/dbraw/zinc/70/61/74/388706174.db2.gz UQSWFPQOGRQXDE-FZMZJTMJSA-N 1 1 232.327 2.322 20 30 BEEDMO C#CC[N@@H+](CC=C)Cc1ccc(F)cc1 ZINC000065958203 388706666 /nfs/dbraw/zinc/70/66/66/388706666.db2.gz RJSUMUVGHUYJBU-UHFFFAOYSA-N 1 1 203.260 2.447 20 30 BEEDMO C#CC[N@H+](CC=C)Cc1ccc(F)cc1 ZINC000065958203 388706670 /nfs/dbraw/zinc/70/66/70/388706670.db2.gz RJSUMUVGHUYJBU-UHFFFAOYSA-N 1 1 203.260 2.447 20 30 BEEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000425532069 388706867 /nfs/dbraw/zinc/70/68/67/388706867.db2.gz IJEVNGUDYIPYSK-CORIIIEPSA-N 1 1 244.338 2.322 20 30 BEEDMO C=CCCCCC[N@H+](C)CC1(CO)CC1 ZINC000193573131 388709606 /nfs/dbraw/zinc/70/96/06/388709606.db2.gz PRDSJERGMODXOW-UHFFFAOYSA-N 1 1 211.349 2.437 20 30 BEEDMO CCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N 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CN1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000556149574 388868237 /nfs/dbraw/zinc/86/82/37/388868237.db2.gz FUUWKPNDUFTMBJ-WLYUNCDWSA-N 1 1 249.402 2.390 20 30 BEEDMO C=CCOCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000555377792 388849247 /nfs/dbraw/zinc/84/92/47/388849247.db2.gz XKCQGAWTFXMAQK-AWEZNQCLSA-N 1 1 249.354 2.072 20 30 BEEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCCC#N)C1 ZINC000564853291 388894082 /nfs/dbraw/zinc/89/40/82/388894082.db2.gz ASIXRBCHAVUOHS-ZDUSSCGKSA-N 1 1 237.391 2.390 20 30 BEEDMO C=CCCCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000565197100 388924598 /nfs/dbraw/zinc/92/45/98/388924598.db2.gz XPNBSFKAEKPTCP-UHFFFAOYSA-N 1 1 238.375 2.191 20 30 BEEDMO CN(C)C1CC([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000565218947 388928188 /nfs/dbraw/zinc/92/81/88/388928188.db2.gz QSGLGAFPWNTTEM-UHFFFAOYSA-N 1 1 235.375 2.141 20 30 BEEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC1(C#N)CCC1 ZINC000565241158 388930617 /nfs/dbraw/zinc/93/06/17/388930617.db2.gz RPBXYDAYLPJOQH-JTQLQIEISA-N 1 1 219.288 2.051 20 30 BEEDMO C[C@H](O)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000305678745 388951474 /nfs/dbraw/zinc/95/14/74/388951474.db2.gz MTXGMTRAVJIKAS-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C#CCCCCNc1[nH+]cnc2[nH]ccc21 ZINC000268173221 389001890 /nfs/dbraw/zinc/00/18/90/389001890.db2.gz JLADJOHERGQEAO-UHFFFAOYSA-N 1 1 214.272 2.173 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@H](C)C1 ZINC001172494668 974844786 /nfs/dbraw/zinc/84/47/86/974844786.db2.gz XADSXOZRIQAFCA-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H](C)CC(C)C ZINC000181279103 533494104 /nfs/dbraw/zinc/49/41/04/533494104.db2.gz KWNZJUZJXGEMBU-CYBMUJFWSA-N 1 1 240.391 2.387 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001172496375 974846335 /nfs/dbraw/zinc/84/63/35/974846335.db2.gz MGSABBGSODHCRE-OLZOCXBDSA-N 1 1 222.332 2.324 20 30 BEEDMO CC(C)CN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172497156 974846719 /nfs/dbraw/zinc/84/67/19/974846719.db2.gz YXZRXZMRRUYDHX-CQSZACIVSA-N 1 1 237.391 2.342 20 30 BEEDMO N#CCCC[N@@H+]1CCCc2cc(N)ccc21 ZINC000019875201 132328782 /nfs/dbraw/zinc/32/87/82/132328782.db2.gz MJIUCJSVNIAVBX-UHFFFAOYSA-N 1 1 215.300 2.325 20 30 BEEDMO N#CCCC[N@H+]1CCCc2cc(N)ccc21 ZINC000019875201 132328784 /nfs/dbraw/zinc/32/87/84/132328784.db2.gz MJIUCJSVNIAVBX-UHFFFAOYSA-N 1 1 215.300 2.325 20 30 BEEDMO C[NH+](C)CCCC1CCN(CC2(C#N)CC2)CC1 ZINC000347419167 133832776 /nfs/dbraw/zinc/83/27/76/133832776.db2.gz CKBCUKSCDURWDS-UHFFFAOYSA-N 1 1 249.402 2.344 20 30 BEEDMO C=C(C)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000351985856 134026216 /nfs/dbraw/zinc/02/62/16/134026216.db2.gz BWFRVFOXGZEIFL-AWEZNQCLSA-N 1 1 234.343 2.365 20 30 BEEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000351985856 134026217 /nfs/dbraw/zinc/02/62/17/134026217.db2.gz BWFRVFOXGZEIFL-AWEZNQCLSA-N 1 1 234.343 2.365 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2nccnc12 ZINC000336012119 134051911 /nfs/dbraw/zinc/05/19/11/134051911.db2.gz OHLHPRKQKCVEIU-GFCCVEGCSA-N 1 1 242.326 2.450 20 30 BEEDMO 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C#C[C@@H]1CCC[N@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000847017328 582674037 /nfs/dbraw/zinc/67/40/37/582674037.db2.gz BSHBHCBAWXNJMP-QWHCGFSZSA-N 1 1 229.327 2.191 20 30 BEEDMO C=CC[NH+](CC=C)Cc1ccc(OC)o1 ZINC000891449591 582688914 /nfs/dbraw/zinc/68/89/14/582688914.db2.gz YWRBQUZRFDKCRN-UHFFFAOYSA-N 1 1 207.273 2.462 20 30 BEEDMO CO[C@H]1CCC[N@H+](Cc2csc(C#N)c2)C1 ZINC000891690353 582710501 /nfs/dbraw/zinc/71/05/01/582710501.db2.gz AHRBMOUWPQSNRU-NSHDSACASA-N 1 1 236.340 2.231 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000891690353 582710503 /nfs/dbraw/zinc/71/05/03/582710503.db2.gz AHRBMOUWPQSNRU-NSHDSACASA-N 1 1 236.340 2.231 20 30 BEEDMO C[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCOC1 ZINC000892179544 582805978 /nfs/dbraw/zinc/80/59/78/582805978.db2.gz JACYRQRZQNSUHS-JTQLQIEISA-N 1 1 236.340 2.088 20 30 BEEDMO C[C@@H]1CC(=NNCCC(C)(C)C)C[N@@H+]1C ZINC000782903261 582934550 /nfs/dbraw/zinc/93/45/50/582934550.db2.gz SSIKXPPFWMMWJD-SNVBAGLBSA-N 1 1 211.353 2.092 20 30 BEEDMO C[C@@H]1CC(=NNCCC(C)(C)C)C[N@H+]1C ZINC000782903261 582934551 /nfs/dbraw/zinc/93/45/51/582934551.db2.gz SSIKXPPFWMMWJD-SNVBAGLBSA-N 1 1 211.353 2.092 20 30 BEEDMO C[C@H]1CC(=NNCCC(C)(C)C)C[N@@H+]1C ZINC000782903260 582934382 /nfs/dbraw/zinc/93/43/82/582934382.db2.gz SSIKXPPFWMMWJD-JTQLQIEISA-N 1 1 211.353 2.092 20 30 BEEDMO C[C@H]1CC(=NNCCC(C)(C)C)C[N@H+]1C ZINC000782903260 582934383 /nfs/dbraw/zinc/93/43/83/582934383.db2.gz SSIKXPPFWMMWJD-JTQLQIEISA-N 1 1 211.353 2.092 20 30 BEEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000892674522 582949031 /nfs/dbraw/zinc/94/90/31/582949031.db2.gz WTHQQCQRWLCNDD-NWDGAFQWSA-N 1 1 244.342 2.156 20 30 BEEDMO C#CC[N@H+](C[C@H]1COC(C)(C)O1)C1CCCC1 ZINC000851809427 582968768 /nfs/dbraw/zinc/96/87/68/582968768.db2.gz WEVMGPYPIPPLDQ-ZDUSSCGKSA-N 1 1 237.343 2.016 20 30 BEEDMO C#CC[N@H+](C[C@@H]1COC(C)(C)O1)C1CCCC1 ZINC000851809426 582969127 /nfs/dbraw/zinc/96/91/27/582969127.db2.gz WEVMGPYPIPPLDQ-CYBMUJFWSA-N 1 1 237.343 2.016 20 30 BEEDMO C=C[C@H](C)Nc1cc[nH+]c(N[C@@H](C)C=C)n1 ZINC000892890572 583006389 /nfs/dbraw/zinc/00/63/89/583006389.db2.gz COJVSEYNORUIDE-UWVGGRQHSA-N 1 1 218.304 2.449 20 30 BEEDMO C=CCN(C)c1[nH+]cnc2[nH]cc(CC)c21 ZINC000893258891 583079890 /nfs/dbraw/zinc/07/98/90/583079890.db2.gz LUAORSBLWCTJTL-UHFFFAOYSA-N 1 1 216.288 2.143 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cc(C)ccc1F)[C@H]1CCCO1 ZINC000775340301 583086693 /nfs/dbraw/zinc/08/66/93/583086693.db2.gz GUUKCMLYFAXFCA-HUUCEWRRSA-N 1 1 247.313 2.405 20 30 BEEDMO N#Cc1cc(C[N@H+]2CCOCC3(CC3)C2)cs1 ZINC000893502459 583154492 /nfs/dbraw/zinc/15/44/92/583154492.db2.gz LZIHZVYCTKLQDQ-UHFFFAOYSA-N 1 1 248.351 2.232 20 30 BEEDMO C[C@H](C#N)C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000893545986 583161387 /nfs/dbraw/zinc/16/13/87/583161387.db2.gz ZWSQARBWLUWNDQ-MNOVXSKESA-N 1 1 230.311 2.259 20 30 BEEDMO C#CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)C1CC1 ZINC000893612614 583173786 /nfs/dbraw/zinc/17/37/86/583173786.db2.gz SWFVYYMAWMOHLX-UHFFFAOYSA-N 1 1 242.278 2.131 20 30 BEEDMO C#CC[N@H+](Cc1cccc2[nH]c(=O)oc21)C1CC1 ZINC000893612614 583173788 /nfs/dbraw/zinc/17/37/88/583173788.db2.gz SWFVYYMAWMOHLX-UHFFFAOYSA-N 1 1 242.278 2.131 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cncc(OCC)c2)C1 ZINC000857049235 588883874 /nfs/dbraw/zinc/88/38/74/588883874.db2.gz HVHXNNSUGHWLQT-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cn(C)nc1Cl)C(C)(C)C ZINC000857046668 588883973 /nfs/dbraw/zinc/88/39/73/588883973.db2.gz OBZOQSPPJGNBKY-SNVBAGLBSA-N 1 1 239.750 2.211 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC)o1 ZINC000894060830 583293072 /nfs/dbraw/zinc/29/30/72/583293072.db2.gz ZNRYNPOOVJSEFF-JTQLQIEISA-N 1 1 207.273 2.132 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c2c(nn1C)CCC2 ZINC000894091921 583299658 /nfs/dbraw/zinc/29/96/58/583299658.db2.gz VUHWOBDETAMNGI-LBPRGKRZSA-N 1 1 245.370 2.449 20 30 BEEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000894204506 583339712 /nfs/dbraw/zinc/33/97/12/583339712.db2.gz OEGVFTNCFHUSEB-UHFFFAOYSA-N 1 1 230.311 2.397 20 30 BEEDMO C[C@@H]1Cc2cc(C[NH2+]CC3(C#N)CC3)ccc2O1 ZINC000894204323 583340074 /nfs/dbraw/zinc/34/00/74/583340074.db2.gz MGBQKDHURGMRTH-LLVKDONJSA-N 1 1 242.322 2.403 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)cc1 ZINC000877836310 583350723 /nfs/dbraw/zinc/35/07/23/583350723.db2.gz UFWQPVLYIOJEKZ-HNNXBMFYSA-N 1 1 243.350 2.261 20 30 BEEDMO C[C@H]1CC(=NOCCC2CC2)C[N@H+]1C1CC1 ZINC000814246754 583352156 /nfs/dbraw/zinc/35/21/56/583352156.db2.gz DAWCHTJBSIHCOC-JTQLQIEISA-N 1 1 222.332 2.416 20 30 BEEDMO CCC[N@@H+](CC[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000791052661 583384622 /nfs/dbraw/zinc/38/46/22/583384622.db2.gz AEVGMKDOHRFSMI-UHFFFAOYSA-N 1 1 247.298 2.047 20 30 BEEDMO C#CCCCCC[N@H+](C)C1(CO)CCC1 ZINC000878643370 583388160 /nfs/dbraw/zinc/38/81/60/583388160.db2.gz HNROOFKTSPFJPG-UHFFFAOYSA-N 1 1 209.333 2.027 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000894386957 583443478 /nfs/dbraw/zinc/44/34/78/583443478.db2.gz GMIRXLOXYZTRIN-MRVPVSSYSA-N 1 1 225.723 2.127 20 30 BEEDMO CC(C)(O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000879963712 583452487 /nfs/dbraw/zinc/45/24/87/583452487.db2.gz NGYOHWBLKRMMBO-YNEHKIRRSA-N 1 1 236.359 2.162 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)COC(C)=O)c1ccc(F)cc1 ZINC000894575429 583486426 /nfs/dbraw/zinc/48/64/26/583486426.db2.gz SJOXPSCOGVIEMQ-HZMBPMFUSA-N 1 1 249.285 2.041 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)o1 ZINC000880238602 583511856 /nfs/dbraw/zinc/51/18/56/583511856.db2.gz ILEZCZZNULQIHW-SNVBAGLBSA-N 1 1 222.263 2.333 20 30 BEEDMO FC1CC2(C1)C[NH+](CC#Cc1ccccc1)C2 ZINC000894830458 583527584 /nfs/dbraw/zinc/52/75/84/583527584.db2.gz OMYBEZKMUSIRKJ-UHFFFAOYSA-N 1 1 229.298 2.472 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc(O)c(F)c2)CCC1 ZINC000894965050 583559725 /nfs/dbraw/zinc/55/97/25/583559725.db2.gz ARGNNVMUPSGFKR-UHFFFAOYSA-N 1 1 234.274 2.315 20 30 BEEDMO C=CCSCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857856553 588913322 /nfs/dbraw/zinc/91/33/22/588913322.db2.gz AJKFXRAAIZHBRE-NSHDSACASA-N 1 1 237.372 2.296 20 30 BEEDMO CC(C)CON=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000749636544 583595986 /nfs/dbraw/zinc/59/59/86/583595986.db2.gz PMETURKCUUOKLQ-JTQLQIEISA-N 1 1 210.321 2.272 20 30 BEEDMO N#CCC1C[NH+](Cc2ccc3c(c2)CCCO3)C1 ZINC000895344528 583655051 /nfs/dbraw/zinc/65/50/51/583655051.db2.gz PDFMTKDPFYYMBF-UHFFFAOYSA-N 1 1 242.322 2.357 20 30 BEEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)cs1 ZINC000895441886 583675494 /nfs/dbraw/zinc/67/54/94/583675494.db2.gz BECOPSBUXSZFLJ-NEPJUHHUSA-N 1 1 248.351 2.088 20 30 BEEDMO C=CC(C)(C)CCC[NH2+]Cc1c[nH]cn1 ZINC000895474169 583679873 /nfs/dbraw/zinc/67/98/73/583679873.db2.gz MWUTUORUNQSVMJ-UHFFFAOYSA-N 1 1 207.321 2.492 20 30 BEEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895524116 583686363 /nfs/dbraw/zinc/68/63/63/583686363.db2.gz JSSJLPBTCHBLCL-LBPRGKRZSA-N 1 1 238.375 2.284 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[N@H+]1CCc2n[nH]cc2C1 ZINC000895541695 583688680 /nfs/dbraw/zinc/68/86/80/583688680.db2.gz XGPAGFBSAOCPNM-SNVBAGLBSA-N 1 1 232.331 2.096 20 30 BEEDMO C[N@H+]1CCN(Cc2cc(C#N)cs2)CC1(C)C ZINC000895565332 583693553 /nfs/dbraw/zinc/69/35/53/583693553.db2.gz YLGLCZTVYCABNN-UHFFFAOYSA-N 1 1 249.383 2.146 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCc2ncncc2C1 ZINC000895722517 583712325 /nfs/dbraw/zinc/71/23/25/583712325.db2.gz IOJJAHITWGDOMS-UHFFFAOYSA-N 1 1 244.342 2.165 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC000895809248 583730592 /nfs/dbraw/zinc/73/05/92/583730592.db2.gz SCFRJGNNIYKHAX-MNOVXSKESA-N 1 1 211.305 2.026 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895848833 583736450 /nfs/dbraw/zinc/73/64/50/583736450.db2.gz URGVICIZLKAEQQ-MGPQQGTHSA-N 1 1 236.359 2.427 20 30 BEEDMO CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000895926718 583748611 /nfs/dbraw/zinc/74/86/11/583748611.db2.gz JQWKASHJKFWNGO-RWMBFGLXSA-N 1 1 224.348 2.426 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896636851 583819505 /nfs/dbraw/zinc/81/95/05/583819505.db2.gz FNRGCOYMGSMKOZ-NXEZZACHSA-N 1 1 234.274 2.313 20 30 BEEDMO C=C1CC(C)(c2noc(CCc3[nH]cc[nH+]3)n2)C1 ZINC000896927247 583858793 /nfs/dbraw/zinc/85/87/93/583858793.db2.gz LDXUZMMNLOHVFF-UHFFFAOYSA-N 1 1 244.298 2.186 20 30 BEEDMO CCO[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000897069464 583877288 /nfs/dbraw/zinc/87/72/88/583877288.db2.gz UUQNQHFMRSHXJH-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO CC#CC[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000897165777 583886683 /nfs/dbraw/zinc/88/66/83/583886683.db2.gz BYCXHAUBZXIUCV-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO CC#CC[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000897165777 583886686 /nfs/dbraw/zinc/88/66/86/583886686.db2.gz BYCXHAUBZXIUCV-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO CC#CC[N@@H+](C)CCCc1cnccc1C ZINC000897167683 583887234 /nfs/dbraw/zinc/88/72/34/583887234.db2.gz OYQISTBCGMUKOZ-UHFFFAOYSA-N 1 1 216.328 2.278 20 30 BEEDMO C#CC[N@@H+](Cc1cccc2[nH]c(=O)oc21)C(C)C ZINC000897171033 583889320 /nfs/dbraw/zinc/88/93/20/583889320.db2.gz OPFXZPTYVUEMJC-UHFFFAOYSA-N 1 1 244.294 2.377 20 30 BEEDMO C#CC[N@@H+](Cc1cnn(C)c1C1CC1)C(C)C ZINC000897170939 583889567 /nfs/dbraw/zinc/88/95/67/583889567.db2.gz LWWBINMRRVQUIS-UHFFFAOYSA-N 1 1 231.343 2.141 20 30 BEEDMO CCn1cnc2c1CC[N@@H+](C[C@H](C)CCC#N)C2 ZINC000897334252 583924393 /nfs/dbraw/zinc/92/43/93/583924393.db2.gz QILJSQRGKRQJJM-GFCCVEGCSA-N 1 1 246.358 2.201 20 30 BEEDMO C#C[C@H]1CCCCN1c1cc(C)cc[nH+]1 ZINC000897360214 583938470 /nfs/dbraw/zinc/93/84/70/583938470.db2.gz AVGKGZTZDNPBBY-LBPRGKRZSA-N 1 1 200.285 2.382 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC000862445113 583962800 /nfs/dbraw/zinc/96/28/00/583962800.db2.gz MCYBXPWKRIXGDS-NSHDSACASA-N 1 1 218.275 2.066 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)cn2)C1 ZINC000862445313 583963021 /nfs/dbraw/zinc/96/30/21/583963021.db2.gz QHLJLDUXFZQYAY-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862442819 583963090 /nfs/dbraw/zinc/96/30/90/583963090.db2.gz ILCFPVVUXCVDOA-LBPRGKRZSA-N 1 1 244.294 2.440 20 30 BEEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897685681 584039657 /nfs/dbraw/zinc/03/96/57/584039657.db2.gz PIWRXVMMSDBPGO-OCCSQVGLSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCCC[N@H+](CC)Cc1cnccn1 ZINC000898245087 584100588 /nfs/dbraw/zinc/10/05/88/584100588.db2.gz VSFOESXXORKKJP-UHFFFAOYSA-N 1 1 205.305 2.265 20 30 BEEDMO C=CC(C)(C)[NH2+]Cc1nnc(CC)s1 ZINC000898463298 584138497 /nfs/dbraw/zinc/13/84/97/584138497.db2.gz WZAXEJXUBABGCN-UHFFFAOYSA-N 1 1 211.334 2.155 20 30 BEEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2C2CCCC2)CC1 ZINC000899912655 584253449 /nfs/dbraw/zinc/25/34/49/584253449.db2.gz MZECBOQOUIBLTG-KGLIPLIRSA-N 1 1 248.370 2.306 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc(C2CC2)no1 ZINC000899999026 584263763 /nfs/dbraw/zinc/26/37/63/584263763.db2.gz ZWMBJQLZQILVEA-VIFPVBQESA-N 1 1 207.277 2.303 20 30 BEEDMO C#CC[C@H](CCOC)Nc1[nH]c2ccccc2[nH+]1 ZINC000858854884 588978938 /nfs/dbraw/zinc/97/89/38/588978938.db2.gz FNVOBOOMDIDKDI-LLVKDONJSA-N 1 1 243.310 2.403 20 30 BEEDMO C#CC[C@H](CCOC)Nc1nc(C)[nH+]c(C)c1C ZINC000858856882 588979466 /nfs/dbraw/zinc/97/94/66/588979466.db2.gz IMXMPFNJBZYIIR-CYBMUJFWSA-N 1 1 247.342 2.242 20 30 BEEDMO CCNN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000901281179 584414761 /nfs/dbraw/zinc/41/47/61/584414761.db2.gz LLKUYPPWTDRJPS-ZDUSSCGKSA-N 1 1 245.370 2.494 20 30 BEEDMO CCNN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000901281179 584414763 /nfs/dbraw/zinc/41/47/63/584414763.db2.gz LLKUYPPWTDRJPS-ZDUSSCGKSA-N 1 1 245.370 2.494 20 30 BEEDMO CCNN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901280972 584414901 /nfs/dbraw/zinc/41/49/01/584414901.db2.gz HLBZQPJHYSNSAS-HNNXBMFYSA-N 1 1 245.370 2.494 20 30 BEEDMO N#Cc1ccnc(Cn2cc[nH+]c2C2CC2)c1 ZINC000901586021 584465038 /nfs/dbraw/zinc/46/50/38/584465038.db2.gz DQUCLDJYLOOQGL-UHFFFAOYSA-N 1 1 224.267 2.075 20 30 BEEDMO C=CC[C@@H]([NH2+]CC(C)(C)C1CC1)C(=O)OC ZINC000901641693 584473846 /nfs/dbraw/zinc/47/38/46/584473846.db2.gz AQSCZYQMKYJHEA-LLVKDONJSA-N 1 1 225.332 2.130 20 30 BEEDMO C=CCCC[N@@H+](CC)Cn1ccsc1=O ZINC000902669337 584654395 /nfs/dbraw/zinc/65/43/95/584654395.db2.gz KXCDQAWIGZYBTM-UHFFFAOYSA-N 1 1 226.345 2.155 20 30 BEEDMO C=CCCC[N@H+](CC)Cn1ccsc1=O ZINC000902669337 584654398 /nfs/dbraw/zinc/65/43/98/584654398.db2.gz KXCDQAWIGZYBTM-UHFFFAOYSA-N 1 1 226.345 2.155 20 30 BEEDMO CC(=O)C(C)=NOCC[N@@H+](C)Cc1ccccc1 ZINC000902758752 584665838 /nfs/dbraw/zinc/66/58/38/584665838.db2.gz YKJKUYQWBNYZDF-UHFFFAOYSA-N 1 1 248.326 2.100 20 30 BEEDMO CC(=O)C(C)=NOCC[N@H+](C)Cc1ccccc1 ZINC000902758752 584665839 /nfs/dbraw/zinc/66/58/39/584665839.db2.gz YKJKUYQWBNYZDF-UHFFFAOYSA-N 1 1 248.326 2.100 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000801935902 584675551 /nfs/dbraw/zinc/67/55/51/584675551.db2.gz MZLWXULUYSWKQQ-NEPJUHHUSA-N 1 1 233.315 2.003 20 30 BEEDMO C=C(CC)CO[NH+]=C(N)CC1(CC)COC1 ZINC000902873999 584684657 /nfs/dbraw/zinc/68/46/57/584684657.db2.gz ZXSIAFKTTRXQKC-UHFFFAOYSA-N 1 1 226.320 2.268 20 30 BEEDMO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903032540 584718492 /nfs/dbraw/zinc/71/84/92/584718492.db2.gz WIOHNBRVCARNAC-LBPRGKRZSA-N 1 1 244.342 2.081 20 30 BEEDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903032596 584718666 /nfs/dbraw/zinc/71/86/66/584718666.db2.gz KKLSSHYFLUAGCQ-LBPRGKRZSA-N 1 1 244.342 2.081 20 30 BEEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)n(C)n1 ZINC000903035251 584718914 /nfs/dbraw/zinc/71/89/14/584718914.db2.gz MOENKXDNHAUMIA-LLVKDONJSA-N 1 1 232.331 2.073 20 30 BEEDMO CCCn1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nn1 ZINC000903025994 584721166 /nfs/dbraw/zinc/72/11/66/584721166.db2.gz JVEZMQDZPMYYPZ-GRYCIOLGSA-N 1 1 247.346 2.031 20 30 BEEDMO N#CC1(C[NH2+][C@H]2CCCc3n[nH]cc32)CCCC1 ZINC000903108410 584728792 /nfs/dbraw/zinc/72/87/92/584728792.db2.gz BZLHGGDMFQZHOD-LBPRGKRZSA-N 1 1 244.342 2.461 20 30 BEEDMO C[C@H]([NH2+]C/C=C/Cl)c1cc(C#N)ccn1 ZINC000903443130 584767802 /nfs/dbraw/zinc/76/78/02/584767802.db2.gz BXGSADSOEHGFER-LXOKAJLYSA-N 1 1 221.691 2.356 20 30 BEEDMO N#CC1CCC(CN[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000903470418 584774532 /nfs/dbraw/zinc/77/45/32/584774532.db2.gz BFTMBVZGBJOWKD-RUXDESIVSA-N 1 1 247.386 2.191 20 30 BEEDMO C=CCN(C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903760176 584797425 /nfs/dbraw/zinc/79/74/25/584797425.db2.gz VSLYUGZMRAERKX-LBPRGKRZSA-N 1 1 208.349 2.027 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(C)c(C#N)c1 ZINC000859156209 589010794 /nfs/dbraw/zinc/01/07/94/589010794.db2.gz NTFJCNMMZPAKGU-UHFFFAOYSA-N 1 1 212.296 2.322 20 30 BEEDMO C=CCOc1ccccc1CNCCC(C)(C)[NH3+] ZINC000903941007 584828699 /nfs/dbraw/zinc/82/86/99/584828699.db2.gz LFSIWOOEPXLEMW-UHFFFAOYSA-N 1 1 248.370 2.468 20 30 BEEDMO C=CCC(C)(C)c1noc(C[C@H]2CC[N@H+](C)C2)n1 ZINC000904079111 584840088 /nfs/dbraw/zinc/84/00/88/584840088.db2.gz CCGDHSNKVXDGBM-LLVKDONJSA-N 1 1 249.358 2.418 20 30 BEEDMO C#CCCCCCC[N@H+](CCO)C(C)C ZINC000876538612 584886088 /nfs/dbraw/zinc/88/60/88/584886088.db2.gz LAXSCQSYPZDWBL-UHFFFAOYSA-N 1 1 211.349 2.273 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761080520 584908990 /nfs/dbraw/zinc/90/89/90/584908990.db2.gz WQYZHKBGPCCHRP-STQMWFEESA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761080520 584908991 /nfs/dbraw/zinc/90/89/91/584908991.db2.gz WQYZHKBGPCCHRP-STQMWFEESA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761080520 584908992 /nfs/dbraw/zinc/90/89/92/584908992.db2.gz WQYZHKBGPCCHRP-STQMWFEESA-N 1 1 243.354 2.255 20 30 BEEDMO C#Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000731867504 584930638 /nfs/dbraw/zinc/93/06/38/584930638.db2.gz VPGOYJBVICQLNP-AWEZNQCLSA-N 1 1 242.322 2.091 20 30 BEEDMO C#Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000731867504 584930639 /nfs/dbraw/zinc/93/06/39/584930639.db2.gz VPGOYJBVICQLNP-AWEZNQCLSA-N 1 1 242.322 2.091 20 30 BEEDMO C#Cc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000840759202 584945453 /nfs/dbraw/zinc/94/54/53/584945453.db2.gz VDRQQNJXPIWNJA-GFCCVEGCSA-N 1 1 239.322 2.252 20 30 BEEDMO CCOCCC[N@H+]1CCC(=NOCC)[C@H](C)C1 ZINC000735226815 584974125 /nfs/dbraw/zinc/97/41/25/584974125.db2.gz BIOGDEDOWLOEDF-GFCCVEGCSA-N 1 1 242.363 2.147 20 30 BEEDMO N#CC[N@H+](C[C@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886016553 585034714 /nfs/dbraw/zinc/03/47/14/585034714.db2.gz HCYDCJJVZJFCFX-TZMCWYRMSA-N 1 1 234.343 2.181 20 30 BEEDMO N#CC[N@@H+](C[C@H]1C[C@@]12CCOC2)C1CCCC1 ZINC000886016553 585034715 /nfs/dbraw/zinc/03/47/15/585034715.db2.gz HCYDCJJVZJFCFX-TZMCWYRMSA-N 1 1 234.343 2.181 20 30 BEEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C[C@H]1C ZINC000886027361 585036173 /nfs/dbraw/zinc/03/61/73/585036173.db2.gz DTGNUKNYCJZCOW-FRRDWIJNSA-N 1 1 236.359 2.019 20 30 BEEDMO C#CC[N@@H+](CCOCC1CCCC1)C1CC1 ZINC000838931263 585081297 /nfs/dbraw/zinc/08/12/97/585081297.db2.gz AIEAGWXRONXVEK-UHFFFAOYSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CCCCCC[N@H+](C)CN1C[C@H](C)CC1=O ZINC000739884522 585083990 /nfs/dbraw/zinc/08/39/90/585083990.db2.gz IFOWNTRFZCKMAE-CYBMUJFWSA-N 1 1 238.375 2.491 20 30 BEEDMO C#Cc1ccc(C[NH+]2CC(C)(OCC)C2)cc1 ZINC000839142100 585094727 /nfs/dbraw/zinc/09/47/27/585094727.db2.gz GLFNRTQEDQNKNL-UHFFFAOYSA-N 1 1 229.323 2.279 20 30 BEEDMO C#CC[C@@H]([NH2+][C@H](CC)C1CCCC1)C(=O)OC ZINC000839166849 585095335 /nfs/dbraw/zinc/09/53/35/585095335.db2.gz BGOIBETWHIPFHA-CHWSQXEVSA-N 1 1 237.343 2.110 20 30 BEEDMO C#CC[C@H]([NH2+][C@@H](CC)C1CCCC1)C(=O)OC ZINC000839166852 585095490 /nfs/dbraw/zinc/09/54/90/585095490.db2.gz BGOIBETWHIPFHA-STQMWFEESA-N 1 1 237.343 2.110 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(C)s1 ZINC000839383405 585102205 /nfs/dbraw/zinc/10/22/05/585102205.db2.gz JIDZUNJCJMCGIV-UHFFFAOYSA-N 1 1 237.372 2.028 20 30 BEEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCOC1=O ZINC000839489628 585105371 /nfs/dbraw/zinc/10/53/71/585105371.db2.gz OTWRZCILLINCKO-CYBMUJFWSA-N 1 1 237.343 2.370 20 30 BEEDMO C=C(Cl)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000839524696 585105819 /nfs/dbraw/zinc/10/58/19/585105819.db2.gz IQYAUOFOFHMCJR-ZDUSSCGKSA-N 1 1 237.730 2.163 20 30 BEEDMO CC[N@H+](CCC(=O)C(C)(C)C)C[C@@H](C)C#N ZINC000741157507 585110690 /nfs/dbraw/zinc/11/06/90/585110690.db2.gz WAWRTUYFWBDKHH-NSHDSACASA-N 1 1 224.348 2.473 20 30 BEEDMO CC[N@@H+](CCC(=O)C(C)(C)C)C[C@@H](C)C#N ZINC000741157507 585110691 /nfs/dbraw/zinc/11/06/91/585110691.db2.gz WAWRTUYFWBDKHH-NSHDSACASA-N 1 1 224.348 2.473 20 30 BEEDMO C[C@H]1CC(=NNCc2ccccc2)CC[N@H+]1C ZINC000741456585 585114116 /nfs/dbraw/zinc/11/41/16/585114116.db2.gz PYYXRRMMKSIRRK-LBPRGKRZSA-N 1 1 231.343 2.246 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cccc(OC)c1OC ZINC000741775029 585118019 /nfs/dbraw/zinc/11/80/19/585118019.db2.gz MSVRIIGSHFIZGZ-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO CC#CC[N@H+](C)Cc1cccc(OC)c1OC ZINC000741775029 585118020 /nfs/dbraw/zinc/11/80/20/585118020.db2.gz MSVRIIGSHFIZGZ-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000886365396 585134796 /nfs/dbraw/zinc/13/47/96/585134796.db2.gz HIXUHXZAJYZIHU-INIZCTEOSA-N 1 1 238.334 2.446 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccccc1C ZINC000743853153 585141341 /nfs/dbraw/zinc/14/13/41/585141341.db2.gz VFMCVPAXJSNCGJ-UHFFFAOYSA-N 1 1 211.308 2.454 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccccc1C ZINC000743853153 585141342 /nfs/dbraw/zinc/14/13/42/585141342.db2.gz VFMCVPAXJSNCGJ-UHFFFAOYSA-N 1 1 211.308 2.454 20 30 BEEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCCCC#N ZINC000745087673 585156719 /nfs/dbraw/zinc/15/67/19/585156719.db2.gz YSOHIAKOYIQTSL-LBPRGKRZSA-N 1 1 238.331 2.098 20 30 BEEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCCCC#N ZINC000745087673 585156720 /nfs/dbraw/zinc/15/67/20/585156720.db2.gz YSOHIAKOYIQTSL-LBPRGKRZSA-N 1 1 238.331 2.098 20 30 BEEDMO C=CCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680267 585172719 /nfs/dbraw/zinc/17/27/19/585172719.db2.gz AABIVXUQLNNGRK-LBPRGKRZSA-N 1 1 217.316 2.232 20 30 BEEDMO N#CCC1(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000886819772 585180013 /nfs/dbraw/zinc/18/00/13/585180013.db2.gz WYVUYBVJQXHMMF-STQMWFEESA-N 1 1 234.343 2.181 20 30 BEEDMO CCc1cc(C[NH2+]Cc2ccc(C#N)s2)[nH]n1 ZINC000749110717 585199324 /nfs/dbraw/zinc/19/93/24/585199324.db2.gz OEYNRCCULXHJCA-UHFFFAOYSA-N 1 1 246.339 2.195 20 30 BEEDMO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(C#N)s1 ZINC000749110914 585199470 /nfs/dbraw/zinc/19/94/70/585199470.db2.gz TZTCFSGDMAJIRM-LLVKDONJSA-N 1 1 249.383 2.194 20 30 BEEDMO C[C@@H]1CCC[N@H+]1CCNCc1ccc(C#N)s1 ZINC000749110914 585199471 /nfs/dbraw/zinc/19/94/71/585199471.db2.gz TZTCFSGDMAJIRM-LLVKDONJSA-N 1 1 249.383 2.194 20 30 BEEDMO CC(C)CON=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000749636019 585204701 /nfs/dbraw/zinc/20/47/01/585204701.db2.gz CWIAYTDPRFEBIL-JTQLQIEISA-N 1 1 210.321 2.129 20 30 BEEDMO COc1ccc(N=NC2C[N@@H+](C)C[C@H]2C)cc1 ZINC000750946026 585222985 /nfs/dbraw/zinc/22/29/85/585222985.db2.gz MHJOKWHDTHBLHE-SNVBAGLBSA-N 1 1 233.315 2.045 20 30 BEEDMO COC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000752090497 585241994 /nfs/dbraw/zinc/24/19/94/585241994.db2.gz ZWLWORYHUIXOBN-AWEZNQCLSA-N 1 1 248.301 2.308 20 30 BEEDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000752090497 585241995 /nfs/dbraw/zinc/24/19/95/585241995.db2.gz ZWLWORYHUIXOBN-AWEZNQCLSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(F)cc1F ZINC000752158027 585242754 /nfs/dbraw/zinc/24/27/54/585242754.db2.gz SKFMUFIFWMMSMH-QMMMGPOBSA-N 1 1 239.269 2.314 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1=NOCc1ccccc1 ZINC000752161357 585243178 /nfs/dbraw/zinc/24/31/78/585243178.db2.gz RSJCYEJUYZSCIG-LLVKDONJSA-N 1 1 218.300 2.141 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[Si](C)(C)C)C1CC1 ZINC000754372751 585283514 /nfs/dbraw/zinc/28/35/14/585283514.db2.gz PXCKDYNVPJCYLJ-SNVBAGLBSA-N 1 1 210.397 2.488 20 30 BEEDMO C=CC[N@H+](Cc1ccc(OC)nc1)C(C)C ZINC000754640323 585288453 /nfs/dbraw/zinc/28/84/53/585288453.db2.gz MWYKGDGKIHXRQR-UHFFFAOYSA-N 1 1 220.316 2.487 20 30 BEEDMO COc1cc(C)cc(C[N@H+](C)[C@H](C)CC#N)c1O ZINC000754726426 585289990 /nfs/dbraw/zinc/28/99/90/585289990.db2.gz HYBKBNJDGYYZMK-LLVKDONJSA-N 1 1 248.326 2.443 20 30 BEEDMO COc1cc(C)cc(C[N@@H+](C)[C@H](C)CC#N)c1O ZINC000754726426 585289991 /nfs/dbraw/zinc/28/99/91/585289991.db2.gz HYBKBNJDGYYZMK-LLVKDONJSA-N 1 1 248.326 2.443 20 30 BEEDMO CC[N@H+]1CCC(=NO[C@@H]2CCCCO2)[C@H](C)C1 ZINC000755820718 585308112 /nfs/dbraw/zinc/30/81/12/585308112.db2.gz DYORICJFSINOPI-DGCLKSJQSA-N 1 1 240.347 2.247 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C\C(C)(C)C ZINC000756551619 585320754 /nfs/dbraw/zinc/32/07/54/585320754.db2.gz OTCQFARLTVYNIU-YXVBKTCISA-N 1 1 249.354 2.230 20 30 BEEDMO C#CC[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000756997564 585326326 /nfs/dbraw/zinc/32/63/26/585326326.db2.gz XNRUXXRTVHCBNI-ZDUSSCGKSA-N 1 1 225.295 2.264 20 30 BEEDMO CC[N@H+](CCC#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000839607608 585331901 /nfs/dbraw/zinc/33/19/01/585331901.db2.gz YRLVWYTUONEXRG-OCCSQVGLSA-N 1 1 232.327 2.344 20 30 BEEDMO CC[N@@H+](CCC#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000839607608 585331902 /nfs/dbraw/zinc/33/19/02/585331902.db2.gz YRLVWYTUONEXRG-OCCSQVGLSA-N 1 1 232.327 2.344 20 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30 BEEDMO C[C@H]1CC(=NOCc2ccc(F)cc2)C[N@H+]1C ZINC000758145190 585350779 /nfs/dbraw/zinc/35/07/79/585350779.db2.gz VHDGTCLXZHMLHG-JTQLQIEISA-N 1 1 236.290 2.422 20 30 BEEDMO C[C@H]([N@@H+](C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000758188085 585351407 /nfs/dbraw/zinc/35/14/07/585351407.db2.gz YFPQAXGIOOKAJM-NSHDSACASA-N 1 1 247.342 2.044 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+](CC)CCc1ccccn1 ZINC000760820073 585397738 /nfs/dbraw/zinc/39/77/38/585397738.db2.gz ZORFQZOJYJHUAK-HNNXBMFYSA-N 1 1 248.370 2.273 20 30 BEEDMO C#CCC[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC000760826188 585398520 /nfs/dbraw/zinc/39/85/20/585398520.db2.gz AKVFQCBCVXJAKA-UHFFFAOYSA-N 1 1 245.322 2.075 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000760846063 585398858 /nfs/dbraw/zinc/39/88/58/585398858.db2.gz ZLBRNGBULMBNLC-SNVBAGLBSA-N 1 1 235.249 2.053 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](CCC#N)CC(C)C ZINC000760857629 585399889 /nfs/dbraw/zinc/39/98/89/585399889.db2.gz ZBWMLCHUYQWMBD-CYBMUJFWSA-N 1 1 224.348 2.185 20 30 BEEDMO C#CCOCC[N@H+](C)CC1CCCCC1 ZINC000761110065 585410052 /nfs/dbraw/zinc/41/00/52/585410052.db2.gz SLOQAXMVXFVASC-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000761109895 585410261 /nfs/dbraw/zinc/41/02/61/585410261.db2.gz QJHILBIMUFJOCA-UHFFFAOYSA-N 1 1 239.265 2.046 20 30 BEEDMO C=CCCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000805221858 585413336 /nfs/dbraw/zinc/41/33/36/585413336.db2.gz WMGHDTWBHUDGRC-CYBMUJFWSA-N 1 1 238.375 2.191 20 30 BEEDMO C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)C[N@H+]1C ZINC000761795071 585418664 /nfs/dbraw/zinc/41/86/64/585418664.db2.gz WGFPRDYTFBWHPO-SECBINFHSA-N 1 1 248.286 2.087 20 30 BEEDMO C[C@H]1CC(N=Nc2ncccc2Cl)C[N@H+]1C ZINC000761813601 585419272 /nfs/dbraw/zinc/41/92/72/585419272.db2.gz ZLGCIXAMNKMGSR-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO CCCCCCCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762924366 585439774 /nfs/dbraw/zinc/43/97/74/585439774.db2.gz CEVKGPKXVIEIQM-GFCCVEGCSA-N 1 1 241.379 2.090 20 30 BEEDMO C#CCC[N@@H+](CCC)CCN(CC)CC ZINC000763930792 585457480 /nfs/dbraw/zinc/45/74/80/585457480.db2.gz BWBLHZAQRRFQOK-UHFFFAOYSA-N 1 1 210.365 2.064 20 30 BEEDMO C#CCC[N@H+](CCC)CCN(CC)CC ZINC000763930792 585457481 /nfs/dbraw/zinc/45/74/81/585457481.db2.gz BWBLHZAQRRFQOK-UHFFFAOYSA-N 1 1 210.365 2.064 20 30 BEEDMO C#CCC[N@H+](C)CCOc1ccccc1OC ZINC000764235395 585462439 /nfs/dbraw/zinc/46/24/39/585462439.db2.gz SQFCOHJWOLGQSM-UHFFFAOYSA-N 1 1 233.311 2.029 20 30 BEEDMO C=C(Cl)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000764536123 585467612 /nfs/dbraw/zinc/46/76/12/585467612.db2.gz FIWHFRVHCOMJHD-LLVKDONJSA-N 1 1 244.766 2.120 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOCC(F)(F)F)[C@@H](C)C1 ZINC000764846751 585475726 /nfs/dbraw/zinc/47/57/26/585475726.db2.gz OYYWILJFVHZFFN-QMMMGPOBSA-N 1 1 238.253 2.281 20 30 BEEDMO CC[N@H+]1CCC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764845305 585475846 /nfs/dbraw/zinc/47/58/46/585475846.db2.gz SKYPFYIVERZDAH-MRVPVSSYSA-N 1 1 238.253 2.283 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000766665555 585504851 /nfs/dbraw/zinc/50/48/51/585504851.db2.gz ITWSAIVSIGMSHC-SECBINFHSA-N 1 1 249.264 2.226 20 30 BEEDMO C#CCCCO[NH+]=C(N)Cc1ccccc1 ZINC000766741514 585507707 /nfs/dbraw/zinc/50/77/07/585507707.db2.gz KIQIMHAKCAVNKZ-UHFFFAOYSA-N 1 1 216.284 2.141 20 30 BEEDMO C#CCCC[N@H+](C)CCOc1ccccc1OC ZINC000766894851 585509030 /nfs/dbraw/zinc/50/90/30/585509030.db2.gz FRAZMHGUYUYNFI-UHFFFAOYSA-N 1 1 247.338 2.419 20 30 BEEDMO C#CCCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000766895182 585509306 /nfs/dbraw/zinc/50/93/06/585509306.db2.gz JUQDUUQDRJDCFP-LBPRGKRZSA-N 1 1 233.315 2.318 20 30 BEEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000766895182 585509307 /nfs/dbraw/zinc/50/93/07/585509307.db2.gz JUQDUUQDRJDCFP-LBPRGKRZSA-N 1 1 233.315 2.318 20 30 BEEDMO C#CCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000766903568 585510585 /nfs/dbraw/zinc/51/05/85/585510585.db2.gz SLHAAIHHDPUXBY-KGLIPLIRSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000766903568 585510586 /nfs/dbraw/zinc/51/05/86/585510586.db2.gz SLHAAIHHDPUXBY-KGLIPLIRSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@@H+](C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000766903568 585510587 /nfs/dbraw/zinc/51/05/87/585510587.db2.gz SLHAAIHHDPUXBY-KGLIPLIRSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000766903568 585510588 /nfs/dbraw/zinc/51/05/88/585510588.db2.gz SLHAAIHHDPUXBY-KGLIPLIRSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000766903571 585510688 /nfs/dbraw/zinc/51/06/88/585510688.db2.gz SLHAAIHHDPUXBY-UONOGXRCSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000766903571 585510689 /nfs/dbraw/zinc/51/06/89/585510689.db2.gz SLHAAIHHDPUXBY-UONOGXRCSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000766903571 585510690 /nfs/dbraw/zinc/51/06/90/585510690.db2.gz SLHAAIHHDPUXBY-UONOGXRCSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000766903571 585510691 /nfs/dbraw/zinc/51/06/91/585510691.db2.gz SLHAAIHHDPUXBY-UONOGXRCSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000766904142 585510870 /nfs/dbraw/zinc/51/08/70/585510870.db2.gz XARHGQIFJUBFTI-NSHDSACASA-N 1 1 225.332 2.062 20 30 BEEDMO C#CCCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000766903583 585510927 /nfs/dbraw/zinc/51/09/27/585510927.db2.gz SRCFCHPKPLVMEP-OAHLLOKOSA-N 1 1 229.323 2.473 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccc(C)c(C)c1 ZINC000769441681 585556330 /nfs/dbraw/zinc/55/63/30/585556330.db2.gz HAEMJZASPOJANW-UHFFFAOYSA-N 1 1 211.308 2.372 20 30 BEEDMO Cc1cc(N)cc(C)c1C=[NH+]NCC(F)(F)F ZINC000769825044 585564722 /nfs/dbraw/zinc/56/47/22/585564722.db2.gz OHOAJRBZMZVGKC-UHFFFAOYSA-N 1 1 245.248 2.371 20 30 BEEDMO C#CCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769844678 585565139 /nfs/dbraw/zinc/56/51/39/585565139.db2.gz BWNCOUCURBSVQH-VIFPVBQESA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000769975407 585568166 /nfs/dbraw/zinc/56/81/66/585568166.db2.gz FWXRVVZDFRNVMM-CYBMUJFWSA-N 1 1 217.312 2.327 20 30 BEEDMO Cc1[nH+]c(C=NNCC(C)C)c2ccccn12 ZINC000771563383 585596297 /nfs/dbraw/zinc/59/62/97/585596297.db2.gz YOJQKJLFGIKSQV-UHFFFAOYSA-N 1 1 230.315 2.222 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=N[C@H]1CCCCC1(C)C ZINC000773126098 585632067 /nfs/dbraw/zinc/63/20/67/585632067.db2.gz TZPGQIYFDTZXIX-AAEUAGOBSA-N 1 1 237.391 2.482 20 30 BEEDMO C=C(CC)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000773427301 585636672 /nfs/dbraw/zinc/63/66/72/585636672.db2.gz JWJFZCHPXXMQMF-LBPRGKRZSA-N 1 1 225.332 2.180 20 30 BEEDMO C#CCCCCC(=O)OCCCn1cc[nH+]c1C ZINC000773625598 585641502 /nfs/dbraw/zinc/64/15/02/585641502.db2.gz QTQWRXBQBYSKIA-UHFFFAOYSA-N 1 1 248.326 2.318 20 30 BEEDMO CC(C)C1(O)C[NH+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000773895993 585645893 /nfs/dbraw/zinc/64/58/93/585645893.db2.gz FDSRMTIODDEOHQ-LBPRGKRZSA-N 1 1 244.338 2.322 20 30 BEEDMO CCOCCO[NH+]=Cc1ccc(N(C)C)s1 ZINC000774418991 585658501 /nfs/dbraw/zinc/65/85/01/585658501.db2.gz XPMFJCNBOZUZIS-UHFFFAOYSA-N 1 1 242.344 2.201 20 30 BEEDMO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000775061060 585671417 /nfs/dbraw/zinc/67/14/17/585671417.db2.gz PWUDTCQOSVOMPZ-STQMWFEESA-N 1 1 220.316 2.305 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000775061060 585671418 /nfs/dbraw/zinc/67/14/18/585671418.db2.gz PWUDTCQOSVOMPZ-STQMWFEESA-N 1 1 220.316 2.305 20 30 BEEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000775061058 585671601 /nfs/dbraw/zinc/67/16/01/585671601.db2.gz PWUDTCQOSVOMPZ-OLZOCXBDSA-N 1 1 220.316 2.305 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000775061058 585671602 /nfs/dbraw/zinc/67/16/02/585671602.db2.gz PWUDTCQOSVOMPZ-OLZOCXBDSA-N 1 1 220.316 2.305 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000775184132 585672811 /nfs/dbraw/zinc/67/28/11/585672811.db2.gz MEOCBBWFVVKADU-LLVKDONJSA-N 1 1 227.311 2.027 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000775184132 585672812 /nfs/dbraw/zinc/67/28/12/585672812.db2.gz MEOCBBWFVVKADU-LLVKDONJSA-N 1 1 227.311 2.027 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1cncc(F)c1)[C@@H]1CCCO1 ZINC000775572224 585680350 /nfs/dbraw/zinc/68/03/50/585680350.db2.gz PRGIRTXUVIPOQQ-SWHYSGLUSA-N 1 1 248.301 2.052 20 30 BEEDMO C[C@@H]1CCOCC[N@H+]1CCC(C)(C)C#N ZINC000776604653 585702088 /nfs/dbraw/zinc/70/20/88/585702088.db2.gz DLMKDHWQWUFTAO-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO CCCCCC[N@H+](C)CC(=O)O[C@H](C#N)CC ZINC000778666052 585738680 /nfs/dbraw/zinc/73/86/80/585738680.db2.gz BXMONYYBNAZSGT-LBPRGKRZSA-N 1 1 240.347 2.344 20 30 BEEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H](C#N)CC ZINC000778666052 585738681 /nfs/dbraw/zinc/73/86/81/585738681.db2.gz BXMONYYBNAZSGT-LBPRGKRZSA-N 1 1 240.347 2.344 20 30 BEEDMO N#CCOc1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000778965657 585742917 /nfs/dbraw/zinc/74/29/17/585742917.db2.gz FDOAPZXTPKLZSC-UHFFFAOYSA-N 1 1 228.295 2.351 20 30 BEEDMO C[C@@H](C#N)OC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000779123857 585745514 /nfs/dbraw/zinc/74/55/14/585745514.db2.gz YCBODNUEWVNQKV-JTQLQIEISA-N 1 1 238.331 2.095 20 30 BEEDMO CC[C@H]1CCCCC1=NN1CC[NH+](C)CC1 ZINC000779755021 585761183 /nfs/dbraw/zinc/76/11/83/585761183.db2.gz VVXUQJOIFYITNE-LBPRGKRZSA-N 1 1 223.364 2.190 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000779810188 585766050 /nfs/dbraw/zinc/76/60/50/585766050.db2.gz ZDLYTWVWGXSGFS-UHFFFAOYSA-N 1 1 229.258 2.479 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@H+]1C ZINC000779817106 585766822 /nfs/dbraw/zinc/76/68/22/585766822.db2.gz BXOGYWPDDYIJND-SECBINFHSA-N 1 1 243.314 2.055 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2)nc1 ZINC000780553504 585780806 /nfs/dbraw/zinc/78/08/06/585780806.db2.gz BRPQOZHWDJRUFH-UHFFFAOYSA-N 1 1 241.269 2.382 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1scnc1C1CC1 ZINC000782266871 585813566 /nfs/dbraw/zinc/81/35/66/585813566.db2.gz DOVFBQQLQSVJPB-UHFFFAOYSA-N 1 1 244.323 2.283 20 30 BEEDMO C[C@@H](C=NN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000783772964 585842843 /nfs/dbraw/zinc/84/28/43/585842843.db2.gz LFJSKXIADOEMJE-CQSZACIVSA-N 1 1 245.370 2.098 20 30 BEEDMO C#CC[N@H+](CC#CC)CCCC(=O)OC(C)(C)C ZINC000784160564 585852194 /nfs/dbraw/zinc/85/21/94/585852194.db2.gz FOSBXFKQSVLBJW-UHFFFAOYSA-N 1 1 249.354 2.067 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCCC(=O)OC(C)(C)C ZINC000784160564 585852195 /nfs/dbraw/zinc/85/21/95/585852195.db2.gz FOSBXFKQSVLBJW-UHFFFAOYSA-N 1 1 249.354 2.067 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000784456203 585860471 /nfs/dbraw/zinc/86/04/71/585860471.db2.gz ZNMGBDVSSPAJEI-CYBMUJFWSA-N 1 1 236.359 2.307 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784575059 585863806 /nfs/dbraw/zinc/86/38/06/585863806.db2.gz MTBVCVCUHJRTHU-CYBMUJFWSA-N 1 1 239.359 2.428 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000785546044 585875596 /nfs/dbraw/zinc/87/55/96/585875596.db2.gz KREGJEUERMSFRS-LSJOCFKGSA-N 1 1 217.740 2.220 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(OCC)OCC ZINC000785997379 585884926 /nfs/dbraw/zinc/88/49/26/585884926.db2.gz MICJINQWPQSUBM-GFCCVEGCSA-N 1 1 227.348 2.426 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)C1CC1 ZINC000785999368 585884989 /nfs/dbraw/zinc/88/49/89/585884989.db2.gz TZQQYVXFSWKROH-GFCCVEGCSA-N 1 1 207.317 2.396 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1 ZINC000787781096 585915923 /nfs/dbraw/zinc/91/59/23/585915923.db2.gz PPJYUCHSDHMXBS-HNNXBMFYSA-N 1 1 229.323 2.015 20 30 BEEDMO CC(CCC(C)(C)C)=NN1CC[NH+](C)CC1 ZINC000788929361 585932267 /nfs/dbraw/zinc/93/22/67/585932267.db2.gz TYIJBZHRJPCNGJ-UHFFFAOYSA-N 1 1 225.380 2.436 20 30 BEEDMO C#CCCCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000789800402 585950127 /nfs/dbraw/zinc/95/01/27/585950127.db2.gz GAFUJIJQQCCOGL-AWEZNQCLSA-N 1 1 249.354 2.350 20 30 BEEDMO C=CCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000789801137 585950291 /nfs/dbraw/zinc/95/02/91/585950291.db2.gz MCRBQTRNVOZHAX-GFCCVEGCSA-N 1 1 223.316 2.123 20 30 BEEDMO 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C=CCC[NH2+]C(C)(C)C(=O)OCCCC ZINC000847061508 588305398 /nfs/dbraw/zinc/30/53/98/588305398.db2.gz LDFSUDBIVHFLII-UHFFFAOYSA-N 1 1 213.321 2.274 20 30 BEEDMO CCCCOC(=O)C(C)(C)[NH2+]CCCCC#N ZINC000847063330 588305561 /nfs/dbraw/zinc/30/55/61/588305561.db2.gz UYDJIUVOJOJHAQ-UHFFFAOYSA-N 1 1 240.347 2.392 20 30 BEEDMO CC#CCCCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847821623 588333699 /nfs/dbraw/zinc/33/36/99/588333699.db2.gz JRYRBEYIRSRXEX-CYBMUJFWSA-N 1 1 237.343 2.065 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847821603 588333934 /nfs/dbraw/zinc/33/39/34/588333934.db2.gz JGAAOEIEFNZFPH-QWHCGFSZSA-N 1 1 239.359 2.474 20 30 BEEDMO c1ccc(N=NC2CCC[N@@H+]3CCCC[C@H]23)nc1 ZINC000848401051 588377938 /nfs/dbraw/zinc/37/79/38/588377938.db2.gz SMGPMGLNUPYIQU-CYBMUJFWSA-N 1 1 244.342 2.498 20 30 BEEDMO FC(F)(F)CN=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848408702 588379262 /nfs/dbraw/zinc/37/92/62/588379262.db2.gz WMCUXPIHBTZULE-SNVBAGLBSA-N 1 1 249.280 2.143 20 30 BEEDMO CCOCCON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848409079 588379357 /nfs/dbraw/zinc/37/93/57/588379357.db2.gz KXRLRONHKLOHGF-ZDUSSCGKSA-N 1 1 240.347 2.044 20 30 BEEDMO CC[C@@H](C)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848409511 588379536 /nfs/dbraw/zinc/37/95/36/588379536.db2.gz YEISZYLMGQWDQZ-DGCLKSJQSA-N 1 1 223.364 2.379 20 30 BEEDMO CC(C)ON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848412667 588380307 /nfs/dbraw/zinc/38/03/07/588380307.db2.gz YQSTZSCXJISJPG-GFCCVEGCSA-N 1 1 210.321 2.416 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cn2cc(C)cnc2=S)C1 ZINC000848492579 588386986 /nfs/dbraw/zinc/38/69/86/588386986.db2.gz FMHCESKAEITNMS-LBPRGKRZSA-N 1 1 247.367 2.224 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000848492579 588386988 /nfs/dbraw/zinc/38/69/88/588386988.db2.gz FMHCESKAEITNMS-LBPRGKRZSA-N 1 1 247.367 2.224 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000848519100 588390312 /nfs/dbraw/zinc/39/03/12/588390312.db2.gz NEGUFAODAXNIDZ-PRHODGIISA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000848520273 588390893 /nfs/dbraw/zinc/39/08/93/588390893.db2.gz PVJVYMCPGZOUHZ-GZMMTYOYSA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)c(F)c1 ZINC000848521164 588391080 /nfs/dbraw/zinc/39/10/80/588391080.db2.gz RLXKLXDDUXMVKR-LDYMZIIASA-N 1 1 247.273 2.352 20 30 BEEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000848627264 588401863 /nfs/dbraw/zinc/40/18/63/588401863.db2.gz KWMQVTKEDFTQOW-SNVBAGLBSA-N 1 1 246.270 2.413 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848905184 588418592 /nfs/dbraw/zinc/41/85/92/588418592.db2.gz IEGQQSGLRWJLBG-CMDGGOBGSA-N 1 1 249.310 2.474 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000848923434 588421225 /nfs/dbraw/zinc/42/12/25/588421225.db2.gz DWWXYKVUVDTUNH-NSHDSACASA-N 1 1 246.379 2.477 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000848923434 588421227 /nfs/dbraw/zinc/42/12/27/588421227.db2.gz DWWXYKVUVDTUNH-NSHDSACASA-N 1 1 246.379 2.477 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000848923408 588421464 /nfs/dbraw/zinc/42/14/64/588421464.db2.gz DJPHWZKZPPEHSN-LBPRGKRZSA-N 1 1 245.322 2.246 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000848924284 588421582 /nfs/dbraw/zinc/42/15/82/588421582.db2.gz PFIIGVSJVXJQLP-GFCCVEGCSA-N 1 1 232.302 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000848924307 588421650 /nfs/dbraw/zinc/42/16/50/588421650.db2.gz PPVPHNWVHKFHRF-NWDGAFQWSA-N 1 1 209.358 2.085 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000851712714 588615913 /nfs/dbraw/zinc/61/59/13/588615913.db2.gz SEPCTZZFPWBMOP-CYBMUJFWSA-N 1 1 247.338 2.338 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000851712812 588615999 /nfs/dbraw/zinc/61/59/99/588615999.db2.gz ULJGZBOYKDHAGY-HNNXBMFYSA-N 1 1 229.323 2.473 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000851727552 588618383 /nfs/dbraw/zinc/61/83/83/588618383.db2.gz QSPOBHHAEIDJPG-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[N@@H+](C[C@@H](O)c1ccccn1)C(C)C ZINC000851731029 588619348 /nfs/dbraw/zinc/61/93/48/588619348.db2.gz JFIKPJGYDSDOMR-CYBMUJFWSA-N 1 1 220.316 2.011 20 30 BEEDMO C#CCOCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000851731108 588619449 /nfs/dbraw/zinc/61/94/49/588619449.db2.gz WXRPCDFYERMQAH-UHFFFAOYSA-N 1 1 247.313 2.440 20 30 BEEDMO C#CC[N@H+](CCOC(F)F)C1CCCCC1 ZINC000851738039 588620839 /nfs/dbraw/zinc/62/08/39/588620839.db2.gz UZMABNLWCXWRNW-UHFFFAOYSA-N 1 1 231.286 2.494 20 30 BEEDMO C=C1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851765190 588625022 /nfs/dbraw/zinc/62/50/22/588625022.db2.gz PURZYIGITUZHLY-UHFFFAOYSA-N 1 1 206.264 2.373 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000851772359 588626091 /nfs/dbraw/zinc/62/60/91/588626091.db2.gz FQDVLRXSYUFKQT-CQSZACIVSA-N 1 1 223.360 2.394 20 30 BEEDMO CC(C)C[N@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000851779383 588626813 /nfs/dbraw/zinc/62/68/13/588626813.db2.gz SZDNCVDCPNTDEK-LBPRGKRZSA-N 1 1 240.347 2.010 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC000851779383 588626814 /nfs/dbraw/zinc/62/68/14/588626814.db2.gz SZDNCVDCPNTDEK-LBPRGKRZSA-N 1 1 240.347 2.010 20 30 BEEDMO C#CCOCC[N@H+]([C@H](C)c1ccco1)C1CC1 ZINC000851855107 588635536 /nfs/dbraw/zinc/63/55/36/588635536.db2.gz ZYKJWLLRDDTKTM-GFCCVEGCSA-N 1 1 233.311 2.455 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000851918927 588643570 /nfs/dbraw/zinc/64/35/70/588643570.db2.gz GBNLVJSRXMFGDW-KGLIPLIRSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000851936798 588645736 /nfs/dbraw/zinc/64/57/36/588645736.db2.gz XCKGALDJNOWBMV-GFCCVEGCSA-N 1 1 209.333 2.004 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cc(C)ccc2C1 ZINC000851978814 588651113 /nfs/dbraw/zinc/65/11/13/588651113.db2.gz QAIKGVQYOXILED-UHFFFAOYSA-N 1 1 229.323 2.003 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@H](OC)C1CCCC1 ZINC000851990137 588652196 /nfs/dbraw/zinc/65/21/96/588652196.db2.gz OKGOMIFWOIWNQK-AAEUAGOBSA-N 1 1 209.333 2.145 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000851990083 588652232 /nfs/dbraw/zinc/65/22/32/588652232.db2.gz NZJAYAKVRKANAI-SECBINFHSA-N 1 1 204.273 2.006 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000851990083 588652233 /nfs/dbraw/zinc/65/22/33/588652233.db2.gz NZJAYAKVRKANAI-SECBINFHSA-N 1 1 204.273 2.006 20 30 BEEDMO C#CCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852084256 588660967 /nfs/dbraw/zinc/66/09/67/588660967.db2.gz RRWQNVVXVDESSO-CYBMUJFWSA-N 1 1 214.312 2.284 20 30 BEEDMO C#CCOCC[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000852143584 588666911 /nfs/dbraw/zinc/66/69/11/588666911.db2.gz PGHMOZBKDIQBJG-CQSZACIVSA-N 1 1 245.322 2.456 20 30 BEEDMO C#CCOCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000852143584 588666912 /nfs/dbraw/zinc/66/69/12/588666912.db2.gz PGHMOZBKDIQBJG-CQSZACIVSA-N 1 1 245.322 2.456 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000852184447 588670448 /nfs/dbraw/zinc/67/04/48/588670448.db2.gz LJYDYXNBPIOWBA-AWEZNQCLSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000852185185 588670624 /nfs/dbraw/zinc/67/06/24/588670624.db2.gz VPPIEXYXWBIZLS-LLVKDONJSA-N 1 1 249.276 2.301 20 30 BEEDMO C#CC[C@H]1CCC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000852206500 588671830 /nfs/dbraw/zinc/67/18/30/588671830.db2.gz KXNPOTAARCCUBW-HZSPNIEDSA-N 1 1 221.344 2.289 20 30 BEEDMO CC(C)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326896 588678732 /nfs/dbraw/zinc/67/87/32/588678732.db2.gz PXTIEAKDRBKLSD-CQSZACIVSA-N 1 1 229.327 2.347 20 30 BEEDMO CC(C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326896 588678733 /nfs/dbraw/zinc/67/87/33/588678733.db2.gz PXTIEAKDRBKLSD-CQSZACIVSA-N 1 1 229.327 2.347 20 30 BEEDMO C=CC[N@H+](Cc1cnoc1C)[C@@H](C)COC ZINC000852356630 588679722 /nfs/dbraw/zinc/67/97/22/588679722.db2.gz KEFKZFBOHZPLPF-JTQLQIEISA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[N@@H+](Cc1cnoc1C)[C@@H](C)COC ZINC000852356630 588679723 /nfs/dbraw/zinc/67/97/23/588679723.db2.gz KEFKZFBOHZPLPF-JTQLQIEISA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[N@@H+](C/C=C/Cl)[C@@H](C)COC ZINC000852357602 588679817 /nfs/dbraw/zinc/67/98/17/588679817.db2.gz DYMLTDKDRYDLKC-PORFMDCZSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](C[C@@H](O)c1ccccc1)[C@H](C)COC ZINC000852357234 588679922 /nfs/dbraw/zinc/67/99/22/588679922.db2.gz YIOUQDXVNVVCIK-UKRRQHHQSA-N 1 1 249.354 2.243 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000852408825 588680867 /nfs/dbraw/zinc/68/08/67/588680867.db2.gz BHPCWMYQQVMEQY-ZFWWWQNUSA-N 1 1 246.354 2.403 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537021 588688989 /nfs/dbraw/zinc/68/89/89/588688989.db2.gz NMJDFBUQKYWNLK-QWHCGFSZSA-N 1 1 211.349 2.414 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC(C)C)C(C)(C)C ZINC000852554368 588689524 /nfs/dbraw/zinc/68/95/24/588689524.db2.gz KMPMIEGPVJKYGJ-UHFFFAOYSA-N 1 1 227.348 2.472 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC(C)C)C(C)(C)C ZINC000852554368 588689525 /nfs/dbraw/zinc/68/95/25/588689525.db2.gz KMPMIEGPVJKYGJ-UHFFFAOYSA-N 1 1 227.348 2.472 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000852672484 588695115 /nfs/dbraw/zinc/69/51/15/588695115.db2.gz DFNVZLRWOHVPBG-AWEZNQCLSA-N 1 1 221.344 2.148 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCCC1 ZINC000852686691 588696022 /nfs/dbraw/zinc/69/60/22/588696022.db2.gz ZPFYHZMCQWVESL-OKILXGFUSA-N 1 1 220.360 2.265 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000852686691 588696023 /nfs/dbraw/zinc/69/60/23/588696023.db2.gz ZPFYHZMCQWVESL-OKILXGFUSA-N 1 1 220.360 2.265 20 30 BEEDMO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)nc1Cl ZINC000852714437 588697544 /nfs/dbraw/zinc/69/75/44/588697544.db2.gz PMFBBGYCDSLSQG-MRVPVSSYSA-N 1 1 247.125 2.025 20 30 BEEDMO C[N@@H+](CCCF)CCc1ccc(C#N)cc1 ZINC000852745934 588698820 /nfs/dbraw/zinc/69/88/20/588698820.db2.gz AZUBHLLGTOEJAV-UHFFFAOYSA-N 1 1 220.291 2.392 20 30 BEEDMO C=C[C@@](C)(CC)COC(=O)Cn1c[nH+]cc1C ZINC000860691539 589115006 /nfs/dbraw/zinc/11/50/06/589115006.db2.gz NKWVYPMKDLAMBI-ZDUSSCGKSA-N 1 1 236.315 2.337 20 30 BEEDMO C=CC[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000860900463 589128723 /nfs/dbraw/zinc/12/87/23/589128723.db2.gz FTUVGRIFOONJHE-NWDGAFQWSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000860900463 589128724 /nfs/dbraw/zinc/12/87/24/589128724.db2.gz FTUVGRIFOONJHE-NWDGAFQWSA-N 1 1 225.332 2.369 20 30 BEEDMO COc1ccc(C[NH2+]CCC#N)cc1OC1CC1 ZINC000862349843 589201846 /nfs/dbraw/zinc/20/18/46/589201846.db2.gz UBFPOWNXPBLVQW-UHFFFAOYSA-N 1 1 246.310 2.240 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862363914 589204213 /nfs/dbraw/zinc/20/42/13/589204213.db2.gz WGQCZHAWJZIORO-JTQLQIEISA-N 1 1 204.273 2.053 20 30 BEEDMO C#C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369222 589205200 /nfs/dbraw/zinc/20/52/00/589205200.db2.gz ROQDPUNFMGWTSO-CHWSQXEVSA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369222 589205201 /nfs/dbraw/zinc/20/52/01/589205201.db2.gz ROQDPUNFMGWTSO-CHWSQXEVSA-N 1 1 236.403 2.497 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000862442302 589213291 /nfs/dbraw/zinc/21/32/91/589213291.db2.gz BKJNITZHCAJZBK-LBPRGKRZSA-N 1 1 243.306 2.261 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000862442953 589213526 /nfs/dbraw/zinc/21/35/26/589213526.db2.gz JDKSGYSFDFLMRM-CYBMUJFWSA-N 1 1 239.322 2.180 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC000862442788 589213551 /nfs/dbraw/zinc/21/35/51/589213551.db2.gz HUYBBDFCWMBTOD-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000862444895 589214615 /nfs/dbraw/zinc/21/46/15/589214615.db2.gz IDUBCSHZNKTMIH-ZDUSSCGKSA-N 1 1 231.343 2.309 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC000862447051 589214913 /nfs/dbraw/zinc/21/49/13/589214913.db2.gz HNKLZGQNEWHHEQ-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccncc2C)C1 ZINC000862447920 589215430 /nfs/dbraw/zinc/21/54/30/589215430.db2.gz SJKDLGBNDBWASN-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO Cc1ccc([C@@H](C)C=NN2CC[NH+](C)CC2)cc1 ZINC000863064252 589253557 /nfs/dbraw/zinc/25/35/57/589253557.db2.gz FWMVFUDQMFUYAV-AWEZNQCLSA-N 1 1 245.370 2.332 20 30 BEEDMO CCCN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863080030 589254871 /nfs/dbraw/zinc/25/48/71/589254871.db2.gz KFZSXLGLWCIVBS-UHFFFAOYSA-N 1 1 241.285 2.364 20 30 BEEDMO COC(=O)CC(C)(C)CC(C)=[NH+]n1cccn1 ZINC000863162387 589265396 /nfs/dbraw/zinc/26/53/96/589265396.db2.gz GZKRORDEXPVXIV-UHFFFAOYSA-N 1 1 237.303 2.087 20 30 BEEDMO CCOC(=O)[C@@H]1CCC(=[NH+]n2cccn2)C[C@H]1C ZINC000863164819 589266614 /nfs/dbraw/zinc/26/66/14/589266614.db2.gz VYUCNTNEUMRIDO-ZYHUDNBSSA-N 1 1 249.314 2.087 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000865470530 589438963 /nfs/dbraw/zinc/43/89/63/589438963.db2.gz DBBXICQMJUUVEO-UHFFFAOYSA-N 1 1 238.718 2.487 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cncc(OC)c1C ZINC000865471363 589439287 /nfs/dbraw/zinc/43/92/87/589439287.db2.gz NRFNCJZIYDMWLD-UHFFFAOYSA-N 1 1 226.707 2.241 20 30 BEEDMO Cc1csc(CO[NH+]=C(N)CC(C)C)n1 ZINC000120844827 589472461 /nfs/dbraw/zinc/47/24/61/589472461.db2.gz JLLGHXRFDCLODL-UHFFFAOYSA-N 1 1 227.333 2.286 20 30 BEEDMO C#CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872276827 589904217 /nfs/dbraw/zinc/90/42/17/589904217.db2.gz MMQZCMMVRNHVAW-ZDUSSCGKSA-N 1 1 207.317 2.043 20 30 BEEDMO C[C@@H]1C(N=Nc2ccc(Cl)nc2)CC[N@H+]1C ZINC000872354134 589916753 /nfs/dbraw/zinc/91/67/53/589916753.db2.gz WSSBDHNHVHVULQ-MRVPVSSYSA-N 1 1 238.722 2.227 20 30 BEEDMO C[C@@H]1C(N=Nc2c(F)cccc2F)CC[N@H+]1C ZINC000872353174 589917024 /nfs/dbraw/zinc/91/70/24/589917024.db2.gz XROMETZNCVRPDJ-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO CNc1ccccc1C=[NH+]OCC(F)F ZINC000872367218 589921705 /nfs/dbraw/zinc/92/17/05/589921705.db2.gz RJQXICZLCSWKBK-UHFFFAOYSA-N 1 1 214.215 2.344 20 30 BEEDMO C1CC(ON=C2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000872376603 589925760 /nfs/dbraw/zinc/92/57/60/589925760.db2.gz OAKCKENVSYRMTH-GFCCVEGCSA-N 1 1 240.372 2.123 20 30 BEEDMO C=CCCCCC[N@H+](C)Cc1cnc(N)cn1 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221.344 2.454 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886265506 592189856 /nfs/dbraw/zinc/18/98/56/592189856.db2.gz KMMCHSCZKMJBSC-KFWWJZLASA-N 1 1 233.355 2.148 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886271107 592191632 /nfs/dbraw/zinc/19/16/32/592191632.db2.gz XMXRMNSAXXWDJT-VHDGCEQUSA-N 1 1 233.355 2.289 20 30 BEEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)CCC1 ZINC000886271944 592192416 /nfs/dbraw/zinc/19/24/16/592192416.db2.gz BGRVLZFVPWTCNL-IHRRRGAJSA-N 1 1 248.370 2.306 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@](C)(O)C(F)F ZINC000886285479 592200002 /nfs/dbraw/zinc/20/00/02/592200002.db2.gz KFGQURMEGRSPGF-UMNHJUIQSA-N 1 1 231.286 2.186 20 30 BEEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886297721 592202903 /nfs/dbraw/zinc/20/29/03/592202903.db2.gz YPZIWFIHGPSLST-RDBSUJKOSA-N 1 1 221.344 2.311 20 30 BEEDMO C[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@@H]1CCC[C@H]1C#N ZINC000886307181 592204781 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592270792 /nfs/dbraw/zinc/27/07/92/592270792.db2.gz ZVDWNYFHDXBUAR-UWVGGRQHSA-N 1 1 239.290 2.119 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886673893 592299198 /nfs/dbraw/zinc/29/91/98/592299198.db2.gz CINSMWHUHLQWKP-GFCCVEGCSA-N 1 1 217.316 2.232 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886673894 592299299 /nfs/dbraw/zinc/29/92/99/592299299.db2.gz CINSMWHUHLQWKP-LBPRGKRZSA-N 1 1 217.316 2.232 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)o1 ZINC000886815429 592336001 /nfs/dbraw/zinc/33/60/01/592336001.db2.gz DKLILAFEFHVGKT-SMDDNHRTSA-N 1 1 246.310 2.152 20 30 BEEDMO C=CC[C@H](C)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815675 592337143 /nfs/dbraw/zinc/33/71/43/592337143.db2.gz IAVYRHVRNFCMRI-VHSXEESVSA-N 1 1 237.265 2.198 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821733 592346031 /nfs/dbraw/zinc/34/60/31/592346031.db2.gz GNMYPOLFUJOVND-MELADBBJSA-N 1 1 221.344 2.289 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886859812 592371092 /nfs/dbraw/zinc/37/10/92/592371092.db2.gz GOFZYGXUPOXBFY-LBPRGKRZSA-N 1 1 242.363 2.387 20 30 BEEDMO C=CCC[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886874291 592376773 /nfs/dbraw/zinc/37/67/73/592376773.db2.gz KYCPIOYOBSNRFI-WCQYABFASA-N 1 1 243.322 2.176 20 30 BEEDMO C#CCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222286787 592475224 /nfs/dbraw/zinc/47/52/24/592475224.db2.gz ZLCUSYAUYFHGBU-UONOGXRCSA-N 1 1 222.376 2.110 20 30 BEEDMO C#CCCCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000222286787 592475227 /nfs/dbraw/zinc/47/52/27/592475227.db2.gz ZLCUSYAUYFHGBU-UONOGXRCSA-N 1 1 222.376 2.110 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000289852182 592720155 /nfs/dbraw/zinc/72/01/55/592720155.db2.gz VCFQMRWWNQIMCC-SECBINFHSA-N 1 1 224.329 2.086 20 30 BEEDMO C=CC[C@@](C)([NH2+][C@@H](C)CCSC)C(=O)OC ZINC001258212799 991132292 /nfs/dbraw/zinc/13/22/92/991132292.db2.gz JGSRNGUURQCLQB-CMPLNLGQSA-N 1 1 245.388 2.225 20 30 BEEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027363221 634496885 /nfs/dbraw/zinc/49/68/85/634496885.db2.gz AHLZFDSOKCVNOB-CQSZACIVSA-N 1 1 248.370 2.206 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cn2ccnc2s1 ZINC000893552182 635148158 /nfs/dbraw/zinc/14/81/58/635148158.db2.gz RDWVNWUTPDYHTQ-UHFFFAOYSA-N 1 1 234.328 2.035 20 30 BEEDMO C=C(CC)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000909386150 634584164 /nfs/dbraw/zinc/58/41/64/634584164.db2.gz DSRVPWBZOQOAJW-CYBMUJFWSA-N 1 1 238.375 2.191 20 30 BEEDMO C=C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932039634 635541733 /nfs/dbraw/zinc/54/17/33/635541733.db2.gz PRDJUFDAUKKMJH-ZDUSSCGKSA-N 1 1 236.359 2.038 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cccc(=O)[nH]1 ZINC000933398470 631359791 /nfs/dbraw/zinc/35/97/91/631359791.db2.gz MFNGNPZNAPMKEJ-UHFFFAOYSA-N 1 1 233.315 2.159 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000308783419 631391417 /nfs/dbraw/zinc/39/14/17/631391417.db2.gz DSKJBFOSKHQEDL-IJLUTSLNSA-N 1 1 210.321 2.035 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)CC[C@H]1CCCO1 ZINC000087248325 631477446 /nfs/dbraw/zinc/47/74/46/631477446.db2.gz KVRFLGGNPIUSIJ-CYBMUJFWSA-N 1 1 224.348 2.427 20 30 BEEDMO COCCCCO[NH+]=C(N)CCC(C)C ZINC000089737019 631511320 /nfs/dbraw/zinc/51/13/20/631511320.db2.gz JEAOBSXYLYFGCI-UHFFFAOYSA-N 1 1 216.325 2.138 20 30 BEEDMO COC(=O)C(C)(C)C[N@@H+](CCC#N)CC(C)C ZINC000093717052 631570590 /nfs/dbraw/zinc/57/05/90/631570590.db2.gz USMCWARQDQZACN-UHFFFAOYSA-N 1 1 240.347 2.057 20 30 BEEDMO CCC[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674527 635657724 /nfs/dbraw/zinc/65/77/24/635657724.db2.gz XMICIVBTICXWHN-CQSZACIVSA-N 1 1 232.327 2.324 20 30 BEEDMO CCCCCCC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248636673 635678033 /nfs/dbraw/zinc/67/80/33/635678033.db2.gz UZMRGJYWVDKUBV-UONOGXRCSA-N 1 1 243.391 2.429 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000308796611 631648903 /nfs/dbraw/zinc/64/89/03/631648903.db2.gz KLGADWJEDJAKKR-IJLUTSLNSA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1C[C@@H](C)CC1(C)C ZINC000308836523 631677942 /nfs/dbraw/zinc/67/79/42/631677942.db2.gz WPUDFBMAJSPTLT-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)cc(Cl)n1 ZINC000308884820 631716722 /nfs/dbraw/zinc/71/67/22/631716722.db2.gz VKDXKKLQKYAPDW-MRVPVSSYSA-N 1 1 223.707 2.293 20 30 BEEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972108953 631785823 /nfs/dbraw/zinc/78/58/23/631785823.db2.gz CSLGOPIFPKIVAW-UKRRQHHQSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)OCC ZINC000309041506 631825787 /nfs/dbraw/zinc/82/57/87/631825787.db2.gz LLTQUFXRMQKDKI-GHMZBOCLSA-N 1 1 213.321 2.272 20 30 BEEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(OC)ns1 ZINC000934458703 631844847 /nfs/dbraw/zinc/84/48/47/631844847.db2.gz CHXPXKZYEKHTEK-SECBINFHSA-N 1 1 224.329 2.302 20 30 BEEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(OC)ns1 ZINC000934458703 631844850 /nfs/dbraw/zinc/84/48/50/631844850.db2.gz CHXPXKZYEKHTEK-SECBINFHSA-N 1 1 224.329 2.302 20 30 BEEDMO C=CC[C@@H]1CC[N@H+]1CCc1cncs1 ZINC000934458922 631847993 /nfs/dbraw/zinc/84/79/93/631847993.db2.gz FXWVIQIMPNDRCN-SNVBAGLBSA-N 1 1 208.330 2.336 20 30 BEEDMO C=CC[C@H]1CC[N@@H+]1[C@H](CCC)C(=O)OCC ZINC000934459273 631848171 /nfs/dbraw/zinc/84/81/71/631848171.db2.gz DSKMMQSGBJCYTI-NWDGAFQWSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@H]1CC[N@H+]1CCc1cncs1 ZINC000934458921 631848528 /nfs/dbraw/zinc/84/85/28/631848528.db2.gz FXWVIQIMPNDRCN-JTQLQIEISA-N 1 1 208.330 2.336 20 30 BEEDMO C=CC[C@@H]1CC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC000934460520 631848920 /nfs/dbraw/zinc/84/89/20/631848920.db2.gz PYDBGHJACNIGBM-CHWSQXEVSA-N 1 1 245.322 2.477 20 30 BEEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000934459627 631850253 /nfs/dbraw/zinc/85/02/53/631850253.db2.gz KTMQQLARELFGOH-GJZGRUSLSA-N 1 1 249.329 2.380 20 30 BEEDMO C=CC[C@@H]1CC[N@H+]1CCN1CCC(C)CC1 ZINC000934459980 631852915 /nfs/dbraw/zinc/85/29/15/631852915.db2.gz JBKMVCKVUWZNLT-CQSZACIVSA-N 1 1 222.376 2.369 20 30 BEEDMO 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20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001481105524 960066062 /nfs/dbraw/zinc/06/60/62/960066062.db2.gz KVMRMQGOVSVPJH-BLXFFLACSA-N 1 1 248.370 2.133 20 30 BEEDMO C=CCCCCCCC[NH+]1CCNCC1 ZINC001204630232 960115558 /nfs/dbraw/zinc/11/55/58/960115558.db2.gz OVQSQKGXZIRLCA-UHFFFAOYSA-N 1 1 210.365 2.418 20 30 BEEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)C ZINC001481130959 960120627 /nfs/dbraw/zinc/12/06/27/960120627.db2.gz TXGBGMQYNPZCOV-UHFFFAOYSA-N 1 1 246.782 2.223 20 30 BEEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)C ZINC001481130959 960120635 /nfs/dbraw/zinc/12/06/35/960120635.db2.gz TXGBGMQYNPZCOV-UHFFFAOYSA-N 1 1 246.782 2.223 20 30 BEEDMO C=CC[N@@H+](CCC)CCNC(=O)C1(CC)CC1 ZINC001481145735 960130277 /nfs/dbraw/zinc/13/02/77/960130277.db2.gz NTGRYWIUNBEDPO-UHFFFAOYSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC[C@@H](C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001144020188 972487396 /nfs/dbraw/zinc/48/73/96/972487396.db2.gz BIZXUAOWGVTFBC-OLZOCXBDSA-N 1 1 238.375 2.047 20 30 BEEDMO CCCCCCCC[N@@H+]1CCOC2(CNC2)C1 ZINC001222447383 972489044 /nfs/dbraw/zinc/48/90/44/972489044.db2.gz UQGZBMJVGYAVQR-UHFFFAOYSA-N 1 1 240.391 2.021 20 30 BEEDMO CCCCCCCC[N@H+]1CCOC2(CNC2)C1 ZINC001222447383 972489050 /nfs/dbraw/zinc/48/90/50/972489050.db2.gz UQGZBMJVGYAVQR-UHFFFAOYSA-N 1 1 240.391 2.021 20 30 BEEDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001140622760 960465797 /nfs/dbraw/zinc/46/57/97/960465797.db2.gz GELSTRWBASVIFA-NSHDSACASA-N 1 1 216.284 2.046 20 30 BEEDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001140622760 960465801 /nfs/dbraw/zinc/46/58/01/960465801.db2.gz GELSTRWBASVIFA-NSHDSACASA-N 1 1 216.284 2.046 20 30 BEEDMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001140622759 960467994 /nfs/dbraw/zinc/46/79/94/960467994.db2.gz GELSTRWBASVIFA-LLVKDONJSA-N 1 1 216.284 2.046 20 30 BEEDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001140622759 960468001 /nfs/dbraw/zinc/46/80/01/960468001.db2.gz GELSTRWBASVIFA-LLVKDONJSA-N 1 1 216.284 2.046 20 30 BEEDMO C=CC[N@@H+](C)Cc1cc(Br)ccn1 ZINC001140765736 960563148 /nfs/dbraw/zinc/56/31/48/960563148.db2.gz MPWURGAGWKDWSU-UHFFFAOYSA-N 1 1 241.132 2.462 20 30 BEEDMO C=CC[N@H+](C)Cc1cc(Br)ccn1 ZINC001140765736 960563166 /nfs/dbraw/zinc/56/31/66/960563166.db2.gz MPWURGAGWKDWSU-UHFFFAOYSA-N 1 1 241.132 2.462 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccncc23)C1 ZINC001140804806 960598877 /nfs/dbraw/zinc/59/88/77/960598877.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140804806 960598892 /nfs/dbraw/zinc/59/88/92/960598892.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc3cc[nH]cc2-3)C1 ZINC001140804806 960598907 /nfs/dbraw/zinc/59/89/07/960598907.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C=CC[N@H+](CCCNC(=O)C(C)C)C(C)C ZINC001481346579 960816207 /nfs/dbraw/zinc/81/62/07/960816207.db2.gz CPOCGUGFVPVNKS-UHFFFAOYSA-N 1 1 226.364 2.045 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001027751155 960922979 /nfs/dbraw/zinc/92/29/79/960922979.db2.gz COKSFLRBSKHYIU-CYBMUJFWSA-N 1 1 248.326 2.050 20 30 BEEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027748950 960923548 /nfs/dbraw/zinc/92/35/48/960923548.db2.gz PNPXTFCSQTWYMW-UONOGXRCSA-N 1 1 248.370 2.109 20 30 BEEDMO N#C[C@H]1CC[C@H](Nc2nc3[nH]ccc3c[nH+]2)CC1 ZINC001167842296 961232180 /nfs/dbraw/zinc/23/21/80/961232180.db2.gz HRYCBBTXCPQIPB-HOMQSWHASA-N 1 1 241.298 2.404 20 30 BEEDMO C=C(Cl)CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000692910982 961284422 /nfs/dbraw/zinc/28/44/22/961284422.db2.gz BNFZCIWFRLJKEF-CYBMUJFWSA-N 1 1 242.794 2.451 20 30 BEEDMO C#C[C@H]([NH2+]Cc1nccn1C(C)C)C(C)C ZINC000692919570 961375616 /nfs/dbraw/zinc/37/56/16/961375616.db2.gz MCLRMDWEAGETHG-LBPRGKRZSA-N 1 1 219.332 2.211 20 30 BEEDMO C=CC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142524875 961479121 /nfs/dbraw/zinc/47/91/21/961479121.db2.gz OGTUFTDOANHYEP-UHFFFAOYSA-N 1 1 213.227 2.288 20 30 BEEDMO 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BEEDMO COc1cccnc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001206644585 962502593 /nfs/dbraw/zinc/50/25/93/962502593.db2.gz QAYZRGHTEVGMGI-GFCCVEGCSA-N 1 1 245.326 2.216 20 30 BEEDMO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CCC ZINC001153012193 962517536 /nfs/dbraw/zinc/51/75/36/962517536.db2.gz FKKHGGORXKOMSE-CYBMUJFWSA-N 1 1 238.375 2.027 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001269205525 962535981 /nfs/dbraw/zinc/53/59/81/962535981.db2.gz MFLVWRBCOVLVBA-BCNIOPEESA-N 1 1 248.370 2.109 20 30 BEEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001269312932 962598637 /nfs/dbraw/zinc/59/86/37/962598637.db2.gz IAMCTCJKDYPPJE-CYBMUJFWSA-N 1 1 238.375 2.284 20 30 BEEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccn1 ZINC000711419698 962702075 /nfs/dbraw/zinc/70/20/75/962702075.db2.gz KJCWKCFNBKXYMM-GFCCVEGCSA-N 1 1 233.290 2.135 20 30 BEEDMO CC(C)N1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254653358 1169812365 /nfs/dbraw/zinc/81/23/65/1169812365.db2.gz MVBDPVRAWVZDCC-QPSCCSFWSA-N 1 1 249.402 2.387 20 30 BEEDMO CC(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC001254653359 1169814977 /nfs/dbraw/zinc/81/49/77/1169814977.db2.gz MVBDPVRAWVZDCC-TUVASFSCSA-N 1 1 249.402 2.387 20 30 BEEDMO CC[N@H+]1CC[C@@H](Oc2ccc(F)c(C#N)c2)C1 ZINC001225819862 962852650 /nfs/dbraw/zinc/85/26/50/962852650.db2.gz IAKOBWRHAHXBBK-GFCCVEGCSA-N 1 1 234.274 2.170 20 30 BEEDMO C#CC(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960770 962863164 /nfs/dbraw/zinc/86/31/64/962863164.db2.gz BXRFCBRDCONZAV-GOOCMWNKSA-N 1 1 246.398 2.393 20 30 BEEDMO C#CC(C)(C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960770 962863165 /nfs/dbraw/zinc/86/31/65/962863165.db2.gz BXRFCBRDCONZAV-GOOCMWNKSA-N 1 1 246.398 2.393 20 30 BEEDMO Cc1[nH+]c(NC2CC(F)C2)ccc1CC#N ZINC001154842875 962868002 /nfs/dbraw/zinc/86/80/02/962868002.db2.gz DXRZCQLKZYSBID-UHFFFAOYSA-N 1 1 219.263 2.369 20 30 BEEDMO Cc1ccc(CC#N)c(N[C@@H](CO)CC(C)C)[nH+]1 ZINC001154961612 962922509 /nfs/dbraw/zinc/92/25/09/962922509.db2.gz 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COc1cccc2c1CC[C@@H]([N@@H+](C)CCC#N)C2 ZINC001256643791 1169833178 /nfs/dbraw/zinc/83/31/78/1169833178.db2.gz QRWLMAMDFQPOCA-CYBMUJFWSA-N 1 1 244.338 2.398 20 30 BEEDMO Cc1ccc(CC#N)c(N[C@H]2CCOC[C@H]2C)[nH+]1 ZINC001159714731 964166930 /nfs/dbraw/zinc/16/69/30/964166930.db2.gz HPFROFGAOFJAGP-MFKMUULPSA-N 1 1 245.326 2.293 20 30 BEEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(C)CC2)CC1 ZINC001160202123 964264107 /nfs/dbraw/zinc/26/41/07/964264107.db2.gz KSQWUSNFAUNSBH-UHFFFAOYSA-N 1 1 248.370 2.111 20 30 BEEDMO C=C(C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001142508084 964340808 /nfs/dbraw/zinc/34/08/08/964340808.db2.gz HBKMJGYMMAREIO-AWEZNQCLSA-N 1 1 244.338 2.078 20 30 BEEDMO C=C(C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001142508084 964340822 /nfs/dbraw/zinc/34/08/22/964340822.db2.gz HBKMJGYMMAREIO-AWEZNQCLSA-N 1 1 244.338 2.078 20 30 BEEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccnc(CC)n1 ZINC001160954528 964453125 /nfs/dbraw/zinc/45/31/25/964453125.db2.gz WSVSBKBXVPTVCB-LBPRGKRZSA-N 1 1 246.358 2.101 20 30 BEEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc(C)c1C ZINC001160953246 964457682 /nfs/dbraw/zinc/45/76/82/964457682.db2.gz YUJHZPRXEWGZJH-ZDUSSCGKSA-N 1 1 246.358 2.156 20 30 BEEDMO C[N@H+]1CCC[C@@H]1CCNc1cc(CC#N)ccn1 ZINC001160970351 964459882 /nfs/dbraw/zinc/45/98/82/964459882.db2.gz FAIBMPNTZSHUQO-CYBMUJFWSA-N 1 1 244.342 2.044 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]C1CCN(CC2CC2)CC1 ZINC001168360494 964569755 /nfs/dbraw/zinc/56/97/55/964569755.db2.gz RCDVWWGRAVJNCY-OAHLLOKOSA-N 1 1 234.387 2.252 20 30 BEEDMO C#C[C@](C)(CC)NC1CC[NH+](CC2CC2)CC1 ZINC001168360494 964569758 /nfs/dbraw/zinc/56/97/58/964569758.db2.gz RCDVWWGRAVJNCY-OAHLLOKOSA-N 1 1 234.387 2.252 20 30 BEEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1C ZINC001088799664 964623511 /nfs/dbraw/zinc/62/35/11/964623511.db2.gz COOBJMMPMCDWEU-VNHYZAJKSA-N 1 1 248.370 2.108 20 30 BEEDMO COC[C@@H](Nc1[nH+]c(C)ccc1CC#N)C1CC1 ZINC001161726351 964716656 /nfs/dbraw/zinc/71/66/56/964716656.db2.gz KWCPCAQGKTWJGJ-CYBMUJFWSA-N 1 1 245.326 2.293 20 30 BEEDMO N#CC1CCC([N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001256963073 1169847437 /nfs/dbraw/zinc/84/74/37/1169847437.db2.gz BSBNFKKLICKJID-HHTDUIENSA-N 1 1 234.343 2.180 20 30 BEEDMO C=CC(NCc1nc2ccccc2o1)=[NH+]COC ZINC001161966914 964839038 /nfs/dbraw/zinc/83/90/38/964839038.db2.gz YEPIKXSZERBOCJ-UHFFFAOYSA-N 1 1 245.282 2.106 20 30 BEEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC001088837183 964856568 /nfs/dbraw/zinc/85/65/68/964856568.db2.gz RNYGUFZWNYJFRI-OLZOCXBDSA-N 1 1 248.370 2.108 20 30 BEEDMO C[C@@H](OC[C@@H]1CCCC[N@H+]1C)[C@H](C)S ZINC001224705099 964892344 /nfs/dbraw/zinc/89/23/44/964892344.db2.gz DMGWTEAGXGVQDF-VWYCJHECSA-N 1 1 217.378 2.194 20 30 BEEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)/C(C)=C\C ZINC001483327556 964974508 /nfs/dbraw/zinc/97/45/08/964974508.db2.gz KZJCKNACBVURKP-OTAKNEKHSA-N 1 1 238.375 2.355 20 30 BEEDMO C#CCCCNc1cc2c(c[nH+]1)C(C)(C)C(=O)N2 ZINC001162440123 964979744 /nfs/dbraw/zinc/97/97/44/964979744.db2.gz OPYHGPRJQWDZIW-UHFFFAOYSA-N 1 1 243.310 2.137 20 30 BEEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000698158309 965070973 /nfs/dbraw/zinc/07/09/73/965070973.db2.gz TZMAVXOUEIVIJT-ZIAGYGMSSA-N 1 1 243.391 2.165 20 30 BEEDMO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001231658591 965275564 /nfs/dbraw/zinc/27/55/64/965275564.db2.gz ZVUSQJROVLGHKA-ZDUSSCGKSA-N 1 1 241.334 2.469 20 30 BEEDMO C#Cc1cccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001231658591 965275572 /nfs/dbraw/zinc/27/55/72/965275572.db2.gz ZVUSQJROVLGHKA-ZDUSSCGKSA-N 1 1 241.334 2.469 20 30 BEEDMO C#CCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC001163356984 965361029 /nfs/dbraw/zinc/36/10/29/965361029.db2.gz CVOHGXINFUKBBS-UHFFFAOYSA-N 1 1 214.190 2.454 20 30 BEEDMO Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(C#N)c1 ZINC001232963218 965444108 /nfs/dbraw/zinc/44/41/08/965444108.db2.gz ZNSFEHKHRWAURT-OAHLLOKOSA-N 1 1 244.338 2.214 20 30 BEEDMO Cc1cc2c[nH+]c(NCCCCC#N)nc2[nH]1 ZINC001168427199 965449993 /nfs/dbraw/zinc/44/99/93/965449993.db2.gz GXLUTAVLLZNZPQ-UHFFFAOYSA-N 1 1 229.287 2.324 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001233080642 965474111 /nfs/dbraw/zinc/47/41/11/965474111.db2.gz RSEYPGFFTDFQPI-NHYWBVRUSA-N 1 1 244.338 2.069 20 30 BEEDMO CC(=O)CC(C)=Nc1cccc(C[NH+](C)C)n1 ZINC001163738112 965558068 /nfs/dbraw/zinc/55/80/68/965558068.db2.gz PYWUOPRFYJKESR-NTMALXAHSA-N 1 1 233.315 2.048 20 30 BEEDMO CC(=O)C=C(C)Nc1cccc(C[NH+](C)C)n1 ZINC001163738112 965558076 /nfs/dbraw/zinc/55/80/76/965558076.db2.gz PYWUOPRFYJKESR-NTMALXAHSA-N 1 1 233.315 2.048 20 30 BEEDMO Cc1[nH+]c(N2CCCO[C@@H](C)C2)ccc1CC#N ZINC001163963178 965665550 /nfs/dbraw/zinc/66/55/50/965665550.db2.gz XRHJVTYVVMCXLA-NSHDSACASA-N 1 1 245.326 2.071 20 30 BEEDMO Cc1nc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001234645945 965866891 /nfs/dbraw/zinc/86/68/91/965866891.db2.gz WGOWRUXUPYOLCM-XYYAHUGASA-N 1 1 244.342 2.293 20 30 BEEDMO CCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235976955 966192786 /nfs/dbraw/zinc/19/27/86/966192786.db2.gz DLNOUTVSAILPNW-QWHCGFSZSA-N 1 1 210.365 2.380 20 30 BEEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235976955 966192799 /nfs/dbraw/zinc/19/27/99/966192799.db2.gz DLNOUTVSAILPNW-QWHCGFSZSA-N 1 1 210.365 2.380 20 30 BEEDMO CCCCCCCN1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235976955 966192813 /nfs/dbraw/zinc/19/28/13/966192813.db2.gz DLNOUTVSAILPNW-QWHCGFSZSA-N 1 1 210.365 2.380 20 30 BEEDMO C#C[C@@H]1CCCN(c2[nH+]cnc3[nH]c(C)cc32)C1 ZINC001167007177 966519368 /nfs/dbraw/zinc/51/93/68/966519368.db2.gz UAYVBGRLICQVRO-LLVKDONJSA-N 1 1 240.310 2.116 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001203900200 966815777 /nfs/dbraw/zinc/81/57/77/966815777.db2.gz UECCGEPSAOUHJE-CABCVRRESA-N 1 1 242.322 2.169 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001203899919 966817001 /nfs/dbraw/zinc/81/70/01/966817001.db2.gz HGGRLDWXJYAXOA-IHRRRGAJSA-N 1 1 230.286 2.348 20 30 BEEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001203899919 966817007 /nfs/dbraw/zinc/81/70/07/966817007.db2.gz 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SJGVRNAXHLQJJC-UHFFFAOYSA-N 1 1 249.277 2.459 20 30 BEEDMO Cc1cc(Nc2ccc(C#N)cc2C#N)c[nH+]c1N ZINC001249794142 967073308 /nfs/dbraw/zinc/07/33/08/967073308.db2.gz LLOADHMLEBMBSW-UHFFFAOYSA-N 1 1 249.277 2.459 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc(OCC)c2)C1 ZINC001250014733 967273781 /nfs/dbraw/zinc/27/37/81/967273781.db2.gz MZLCPHARDPGFPS-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO C=CC[N@@H+](CCC)CCNC(=O)CC(C)(C)C ZINC001317541099 1169907260 /nfs/dbraw/zinc/90/72/60/1169907260.db2.gz OVAGZVVNWXIOFG-UHFFFAOYSA-N 1 1 240.391 2.437 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1O ZINC001205567387 967698902 /nfs/dbraw/zinc/69/89/02/967698902.db2.gz BDYKBDYQGUTOEG-VIFPVBQESA-N 1 1 223.703 2.499 20 30 BEEDMO C[N@H+]1CCC[C@H](OCc2cccc(C#N)c2)C1 ZINC001205589858 967713029 /nfs/dbraw/zinc/71/30/29/967713029.db2.gz QDJORTKHYVBGLR-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO CC[N@H+]1CCC[C@@H](OCCCCC#N)C1 ZINC001205672383 967762863 /nfs/dbraw/zinc/76/28/63/967762863.db2.gz JVYVCQNHOCPXMG-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO C=CCCCC[N@H+]1C[C@@H](C)CC[C@H]1CN ZINC001205803505 967829476 /nfs/dbraw/zinc/82/94/76/967829476.db2.gz HGTGPRUTJMDKFQ-STQMWFEESA-N 1 1 210.365 2.402 20 30 BEEDMO C=CCCCCN1C[C@@H](C)CC[C@H]1C[NH3+] ZINC001205803505 967829477 /nfs/dbraw/zinc/82/94/77/967829477.db2.gz HGTGPRUTJMDKFQ-STQMWFEESA-N 1 1 210.365 2.402 20 30 BEEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)C)C1 ZINC001205808670 967834110 /nfs/dbraw/zinc/83/41/10/967834110.db2.gz JCQSADYTZUGQJT-CHWSQXEVSA-N 1 1 238.375 2.045 20 30 BEEDMO CCCCCCCCCN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205937759 967890335 /nfs/dbraw/zinc/89/03/35/967890335.db2.gz CMGVTCSLVOHDLW-ZIAGYGMSSA-N 1 1 242.407 2.131 20 30 BEEDMO C=C(C)CNc1c[nH+]c(N2CCOCC2)c(C)c1 ZINC001163378836 968031980 /nfs/dbraw/zinc/03/19/80/968031980.db2.gz SSVJQDIGSDBJNW-UHFFFAOYSA-N 1 1 247.342 2.215 20 30 BEEDMO CCCCN(CCC#N)Cc1c[nH+]c(C)n1C ZINC001206793171 968478000 /nfs/dbraw/zinc/47/80/00/968478000.db2.gz 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ZINC001330558407 974313390 /nfs/dbraw/zinc/31/33/90/974313390.db2.gz GQKQWBQIPJJISF-KGLIPLIRSA-N 1 1 239.359 2.078 20 30 BEEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001330577535 974328531 /nfs/dbraw/zinc/32/85/31/974328531.db2.gz JIROBVSYHSAWIF-XJFOESAGSA-N 1 1 221.344 2.309 20 30 BEEDMO CC(=O)C=C(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100589 974344250 /nfs/dbraw/zinc/34/42/50/974344250.db2.gz FQPOXPSQUMCAHQ-WGCQOFRPSA-N 1 1 236.359 2.084 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123572 974390344 /nfs/dbraw/zinc/39/03/44/974390344.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 1 1 246.398 2.347 20 30 BEEDMO C#CC[NH+](CC#C)[C@@H]1CSc2ccccc2C1 ZINC001172210757 974440661 /nfs/dbraw/zinc/44/06/61/974440661.db2.gz ZAQWGSBIGKUSRS-AWEZNQCLSA-N 1 1 241.359 2.272 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172230939 974470933 /nfs/dbraw/zinc/47/09/33/974470933.db2.gz IKPRXRZSDPHURU-FUDCBSFHSA-N 1 1 219.328 2.042 20 30 BEEDMO 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244.338 2.210 20 30 BEEDMO CC1(C)C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)CO1 ZINC001172289476 974554535 /nfs/dbraw/zinc/55/45/35/974554535.db2.gz XHYMQQOUQFHPER-VXGBXAGGSA-N 1 1 222.332 2.180 20 30 BEEDMO CC1(C)C[C@@H]([N@H+]2CCC[C@H](C#N)CC2)CO1 ZINC001172289474 974555613 /nfs/dbraw/zinc/55/56/13/974555613.db2.gz XHYMQQOUQFHPER-NWDGAFQWSA-N 1 1 222.332 2.180 20 30 BEEDMO C#CC[N@@H+](CC1CC1)C[C@H]1CC(C)(C)CO1 ZINC001331108615 974606094 /nfs/dbraw/zinc/60/60/94/974606094.db2.gz CXUCHJZGMDSHBQ-CYBMUJFWSA-N 1 1 221.344 2.147 20 30 BEEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@H](O)CN ZINC001172347433 974618057 /nfs/dbraw/zinc/61/80/57/974618057.db2.gz UTCFQLUBMZFRMV-CHWSQXEVSA-N 1 1 230.396 2.035 20 30 BEEDMO CCCCCCC[C@H](CC)[N@@H+](C)C[C@H](O)CO ZINC001172357962 974627617 /nfs/dbraw/zinc/62/76/17/974627617.db2.gz NOBOVFDVEZQABE-KBPBESRZSA-N 1 1 245.407 2.411 20 30 BEEDMO Cc1cc(C)c(C#N)c(O[C@@H]2CCC[N@H+](C)C2)n1 ZINC001226092052 974784664 /nfs/dbraw/zinc/78/46/64/974784664.db2.gz VTCOBEOYZDSRAK-GFCCVEGCSA-N 1 1 245.326 2.043 20 30 BEEDMO CC(C)OCC[C@@H](C)[N@H+]1CC[C@@H](C#N)C1 ZINC001172449997 974813791 /nfs/dbraw/zinc/81/37/91/974813791.db2.gz XPJGGJUASNOOJF-NEPJUHHUSA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@H](CCCC#N)[NH2+]C(C)(C)C(C)(C)N ZINC001172487177 974816706 /nfs/dbraw/zinc/81/67/06/974816706.db2.gz FKPUSNPDMSCURF-SNVBAGLBSA-N 1 1 211.353 2.174 20 30 BEEDMO C=CC[C@@](C)([NH2+][C@H](C)CCCC#N)C(=O)OC ZINC001172491634 974836163 /nfs/dbraw/zinc/83/61/63/974836163.db2.gz OMPWCDMGAXMRPA-DGCLKSJQSA-N 1 1 238.331 2.166 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@](O)(CF)CC1 ZINC001172490905 974837108 /nfs/dbraw/zinc/83/71/08/974837108.db2.gz AKWUMIFLGKBXAF-CHWSQXEVSA-N 1 1 242.338 2.255 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001172490911 974837590 /nfs/dbraw/zinc/83/75/90/974837590.db2.gz AKWUMIFLGKBXAF-STQMWFEESA-N 1 1 242.338 2.255 20 30 BEEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001172491323 974837612 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ZINC000423108731 387893236 /nfs/dbraw/zinc/89/32/36/387893236.db2.gz UFVPMODKJUAYSQ-RYSNWHEDSA-N 1 1 235.375 2.046 20 30 BEEDMO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCCCN1 ZINC000423094789 387884534 /nfs/dbraw/zinc/88/45/34/387884534.db2.gz CPXDHPQNQOOJMH-PPWQZUPISA-N 1 1 249.402 2.437 20 30 BEEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)COC)CCCC1(C)C ZINC000444780239 387929465 /nfs/dbraw/zinc/92/94/65/387929465.db2.gz ZYLNQVROYMLKDF-OLZOCXBDSA-N 1 1 241.375 2.060 20 30 BEEDMO C=CC[C@@H]1[N@H+](CCOCCO)CCCC1(C)C ZINC000444781192 387930329 /nfs/dbraw/zinc/93/03/29/387930329.db2.gz GIGSKKBQECLACG-ZDUSSCGKSA-N 1 1 241.375 2.062 20 30 BEEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO ZINC000339629529 135076453 /nfs/dbraw/zinc/07/64/53/135076453.db2.gz UAVKWDWMYRGGPN-LBPRGKRZSA-N 1 1 226.364 2.409 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCn2cccc2[C@H]1C ZINC000246029012 388002321 /nfs/dbraw/zinc/00/23/21/388002321.db2.gz PGPMHDQSYORXQQ-OLZOCXBDSA-N 1 1 234.343 2.192 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000045911340 388002547 /nfs/dbraw/zinc/00/25/47/388002547.db2.gz HIZGGEZBZVGPHP-UHFFFAOYSA-N 1 1 232.327 2.360 20 30 BEEDMO C=CC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000045911340 388002549 /nfs/dbraw/zinc/00/25/49/388002549.db2.gz HIZGGEZBZVGPHP-UHFFFAOYSA-N 1 1 232.327 2.360 20 30 BEEDMO N#C[C@@H]1CCC[C@H](NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000423248428 388031969 /nfs/dbraw/zinc/03/19/69/388031969.db2.gz RTVZPVKQHIOONB-VHDGCEQUSA-N 1 1 243.354 2.358 20 30 BEEDMO CC(C)[C@H](N)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423273431 388052500 /nfs/dbraw/zinc/05/25/00/388052500.db2.gz KRCACHQLJPECTQ-OTTFEQOBSA-N 1 1 223.364 2.032 20 30 BEEDMO C=CCC[C@@H]([NH2+]C[C@H](N)C(C)C)C1CC1 ZINC000423280389 388061529 /nfs/dbraw/zinc/06/15/29/388061529.db2.gz UBLBIMQNAZHKJP-QWHCGFSZSA-N 1 1 210.365 2.304 20 30 BEEDMO CCC([NH3+])(CC)CN[C@H]1CCC[C@H](C#N)C1 ZINC000423286363 388071621 /nfs/dbraw/zinc/07/16/21/388071621.db2.gz GUADZDIRPWJUNT-RYUDHWBXSA-N 1 1 223.364 2.176 20 30 BEEDMO C=CC[N@@H+](C1CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000447888344 388099124 /nfs/dbraw/zinc/09/91/24/388099124.db2.gz JOSJJUPDMMCSTD-CYBMUJFWSA-N 1 1 236.359 2.036 20 30 BEEDMO CC#CCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC#CC ZINC000464488293 388099990 /nfs/dbraw/zinc/09/99/90/388099990.db2.gz SPCXFSHKAGSZCK-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO CC#CCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CC#CC ZINC000464488293 388099993 /nfs/dbraw/zinc/09/99/93/388099993.db2.gz SPCXFSHKAGSZCK-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO CC#CCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CC#CC ZINC000464488293 388099996 /nfs/dbraw/zinc/09/99/96/388099996.db2.gz SPCXFSHKAGSZCK-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO CC#CCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CC#CC ZINC000464488291 388100129 /nfs/dbraw/zinc/10/01/29/388100129.db2.gz SPCXFSHKAGSZCK-HOTGVXAUSA-N 1 1 246.398 2.208 20 30 BEEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000448918886 388120749 /nfs/dbraw/zinc/12/07/49/388120749.db2.gz WHGVAEIOXMKMGY-UHFFFAOYSA-N 1 1 238.375 2.189 20 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C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(F)F ZINC000449416291 388199216 /nfs/dbraw/zinc/19/92/16/388199216.db2.gz SRQJHTCXHZMTPQ-XHNCKOQMSA-N 1 1 202.248 2.312 20 30 BEEDMO C#CC[N@H+](Cc1cnn(C)c1C)C1CCCCC1 ZINC000490898483 388258931 /nfs/dbraw/zinc/25/89/31/388258931.db2.gz KRWWHBHYGRYITR-UHFFFAOYSA-N 1 1 245.370 2.496 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)OC(C)C ZINC000489423555 388212501 /nfs/dbraw/zinc/21/25/01/388212501.db2.gz HXBKFFSKALOEBJ-LBPRGKRZSA-N 1 1 225.332 2.369 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449469475 388212814 /nfs/dbraw/zinc/21/28/14/388212814.db2.gz MPYMYOGZRRJRDL-LBPRGKRZSA-N 1 1 246.301 2.018 20 30 BEEDMO CC(C)[N@@H+](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000456735990 388218193 /nfs/dbraw/zinc/21/81/93/388218193.db2.gz QWIQXYLMVKOLAX-UHFFFAOYSA-N 1 1 245.326 2.031 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CCn1ccnc1C ZINC000489504465 388220213 /nfs/dbraw/zinc/22/02/13/388220213.db2.gz AFFQJMVKLRDLAW-CYBMUJFWSA-N 1 1 219.332 2.232 20 30 BEEDMO C#CC[N@H+](CCCC(=O)OC)C1CCCCC1 ZINC000490669124 388246659 /nfs/dbraw/zinc/24/66/59/388246659.db2.gz FQUZUZVEFLBLPJ-UHFFFAOYSA-N 1 1 237.343 2.208 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000491285493 388282592 /nfs/dbraw/zinc/28/25/92/388282592.db2.gz CYVQQZNQQCABOF-CYBMUJFWSA-N 1 1 239.322 2.461 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000491285493 388282593 /nfs/dbraw/zinc/28/25/93/388282593.db2.gz CYVQQZNQQCABOF-CYBMUJFWSA-N 1 1 239.322 2.461 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491288389 388282717 /nfs/dbraw/zinc/28/27/17/388282717.db2.gz RMWHHSJGMKXSKB-SNVBAGLBSA-N 1 1 248.282 2.057 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000491288389 388282719 /nfs/dbraw/zinc/28/27/19/388282719.db2.gz RMWHHSJGMKXSKB-SNVBAGLBSA-N 1 1 248.282 2.057 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(O)CCC1 ZINC000491297971 388283910 /nfs/dbraw/zinc/28/39/10/388283910.db2.gz SSHZCKFEVJTVHD-UHFFFAOYSA-N 1 1 247.313 2.176 20 30 BEEDMO C#CC[N@H+](C)CCO[C@H]1CCCC[C@H]1C ZINC000491316778 388284741 /nfs/dbraw/zinc/28/47/41/388284741.db2.gz XRRAEQXFKMGWON-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621065 388284812 /nfs/dbraw/zinc/28/48/12/388284812.db2.gz UEZOXFSKLSPTBT-OLZOCXBDSA-N 1 1 221.344 2.454 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451622410 388284876 /nfs/dbraw/zinc/28/48/76/388284876.db2.gz GFENOIDZRWJRQY-MELADBBJSA-N 1 1 222.376 2.367 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000491370713 388289282 /nfs/dbraw/zinc/28/92/82/388289282.db2.gz AMFUCVFHZIYXNH-SNVBAGLBSA-N 1 1 222.719 2.497 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000491381506 388290212 /nfs/dbraw/zinc/29/02/12/388290212.db2.gz FSYXRUKDQWEUNK-SNVBAGLBSA-N 1 1 201.260 2.377 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451705527 388290941 /nfs/dbraw/zinc/29/09/41/388290941.db2.gz ZBSRYXUSVDAZSL-MGPQQGTHSA-N 1 1 223.360 2.436 20 30 BEEDMO C=CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700169 388291038 /nfs/dbraw/zinc/29/10/38/388291038.db2.gz FVHWKDUWCGQRLQ-AGIUHOORSA-N 1 1 209.333 2.045 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000451723051 388291337 /nfs/dbraw/zinc/29/13/37/388291337.db2.gz WTWDZGISGLFQIK-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=C(CC)CN1CC[N@@H+](CC)C[C@H]1CC ZINC000451741740 388292473 /nfs/dbraw/zinc/29/24/73/388292473.db2.gz PRGQPXMLODNACL-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(CC)CN1CC[N@H+](CC)C[C@H]1CC ZINC000451741740 388292475 /nfs/dbraw/zinc/29/24/75/388292475.db2.gz PRGQPXMLODNACL-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C[N@@H+](CCCC#N)[C@@H](CO)CC(C)(C)C ZINC000451784571 388296315 /nfs/dbraw/zinc/29/63/15/388296315.db2.gz UNVPJWIGRAAZIX-LLVKDONJSA-N 1 1 212.337 2.019 20 30 BEEDMO C#CC[N@H+](CCOc1ccccc1OC)C1CC1 ZINC000491464809 388296878 /nfs/dbraw/zinc/29/68/78/388296878.db2.gz UANNBZPTJLBVGB-UHFFFAOYSA-N 1 1 245.322 2.172 20 30 BEEDMO C#CC[N@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000491475709 388297826 /nfs/dbraw/zinc/29/78/26/388297826.db2.gz ZFQPLSMREBGJJI-GXTWGEPZSA-N 1 1 217.312 2.064 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000491513630 388300259 /nfs/dbraw/zinc/30/02/59/388300259.db2.gz DIVMFRYDZVUIER-SNVBAGLBSA-N 1 1 219.332 2.161 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000491513630 388300260 /nfs/dbraw/zinc/30/02/60/388300260.db2.gz DIVMFRYDZVUIER-SNVBAGLBSA-N 1 1 219.332 2.161 20 30 BEEDMO CC#CCC[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451858784 388301144 /nfs/dbraw/zinc/30/11/44/388301144.db2.gz VISFRQUEMFVXRG-QWHCGFSZSA-N 1 1 221.344 2.289 20 30 BEEDMO CC#CCC[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451858383 388301233 /nfs/dbraw/zinc/30/12/33/388301233.db2.gz VISFRQUEMFVXRG-OLZOCXBDSA-N 1 1 221.344 2.289 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2nc1C ZINC000491538456 388302599 /nfs/dbraw/zinc/30/25/99/388302599.db2.gz ZJJVXJOBDXJWTF-LLVKDONJSA-N 1 1 239.322 2.392 20 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BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000491555200 388303776 /nfs/dbraw/zinc/30/37/76/388303776.db2.gz PLUBCQZWFUMGEZ-GFCCVEGCSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000491631146 388306681 /nfs/dbraw/zinc/30/66/81/388306681.db2.gz RJLXGMUZJGOIEU-CYBMUJFWSA-N 1 1 239.322 2.326 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000491631146 388306682 /nfs/dbraw/zinc/30/66/82/388306682.db2.gz RJLXGMUZJGOIEU-CYBMUJFWSA-N 1 1 239.322 2.326 20 30 BEEDMO C#CC[N@H+](CCOc1ccccc1F)C1CC1 ZINC000491642748 388307463 /nfs/dbraw/zinc/30/74/63/388307463.db2.gz YGMTWFZVFBWFAS-UHFFFAOYSA-N 1 1 233.286 2.302 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccccc1F ZINC000491658721 388308826 /nfs/dbraw/zinc/30/88/26/388308826.db2.gz HRRFATFCUUXICI-NSHDSACASA-N 1 1 221.275 2.158 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000491665016 388309401 /nfs/dbraw/zinc/30/94/01/388309401.db2.gz UFJGSWZTAOTYQG-NSHDSACASA-N 1 1 232.283 2.091 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000491679362 388310341 /nfs/dbraw/zinc/31/03/41/388310341.db2.gz XAUVHWKACMLMHV-NSHDSACASA-N 1 1 215.296 2.343 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC000491679362 388310342 /nfs/dbraw/zinc/31/03/42/388310342.db2.gz XAUVHWKACMLMHV-NSHDSACASA-N 1 1 215.296 2.343 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OCCOC)c1 ZINC000491695296 388311660 /nfs/dbraw/zinc/31/16/60/388311660.db2.gz BTNLGOYUVYXYKY-ZDUSSCGKSA-N 1 1 247.338 2.165 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCCCC(=O)OCC ZINC000491706125 388313322 /nfs/dbraw/zinc/31/33/22/388313322.db2.gz QPTYTEABVKWDGW-UHFFFAOYSA-N 1 1 225.332 2.063 20 30 BEEDMO C#CC[NH+](CC#C)[C@@H](C)c1cccc(OC)c1 ZINC000491706245 388313357 /nfs/dbraw/zinc/31/33/57/388313357.db2.gz DNPYGCKRWHUHRQ-ZDUSSCGKSA-N 1 1 227.307 2.325 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491710602 388313725 /nfs/dbraw/zinc/31/37/25/388313725.db2.gz UQKXSSCVIPXGRM-YDHLFZDLSA-N 1 1 231.339 2.105 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCc1csc(C)n1 ZINC000491710769 388313797 /nfs/dbraw/zinc/31/37/97/388313797.db2.gz YYRPSCWBNRMJSN-UHFFFAOYSA-N 1 1 222.357 2.338 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000491719304 388314584 /nfs/dbraw/zinc/31/45/84/388314584.db2.gz YRUZXZOIHLCPSE-SNVBAGLBSA-N 1 1 247.729 2.441 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000491719304 388314585 /nfs/dbraw/zinc/31/45/85/388314585.db2.gz YRUZXZOIHLCPSE-SNVBAGLBSA-N 1 1 247.729 2.441 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000491722972 388314615 /nfs/dbraw/zinc/31/46/15/388314615.db2.gz ABSRDKREVMLFPG-VIFPVBQESA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC000491724472 388314983 /nfs/dbraw/zinc/31/49/83/388314983.db2.gz BMKFTVWGCFQTCC-VIFPVBQESA-N 1 1 209.239 2.418 20 30 BEEDMO C#CC[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000491736685 388316360 /nfs/dbraw/zinc/31/63/60/388316360.db2.gz UYCKXVILMOMOQK-UHFFFAOYSA-N 1 1 240.306 2.164 20 30 BEEDMO C#CC[N@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000491736685 388316361 /nfs/dbraw/zinc/31/63/61/388316361.db2.gz UYCKXVILMOMOQK-UHFFFAOYSA-N 1 1 240.306 2.164 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000491746464 388317329 /nfs/dbraw/zinc/31/73/29/388317329.db2.gz LNEMYHIMGSWWHA-UHFFFAOYSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000491746464 388317330 /nfs/dbraw/zinc/31/73/30/388317330.db2.gz LNEMYHIMGSWWHA-UHFFFAOYSA-N 1 1 248.301 2.108 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCc1cccc(F)c1F ZINC000491751105 388317837 /nfs/dbraw/zinc/31/78/37/388317837.db2.gz JTYFYWCHZOWHHE-JTQLQIEISA-N 1 1 223.266 2.461 20 30 BEEDMO C#CC[N@H+](C[C@H](O)C(C)C)C1CCCCC1 ZINC000491762203 388318654 /nfs/dbraw/zinc/31/86/54/388318654.db2.gz ZIWRDEUVXDJCSY-AWEZNQCLSA-N 1 1 223.360 2.271 20 30 BEEDMO C#CC[N@@H+](C)CCSc1ccc(F)cc1 ZINC000491772349 388319441 /nfs/dbraw/zinc/31/94/41/388319441.db2.gz QEUOBHZXDBRGPI-UHFFFAOYSA-N 1 1 223.316 2.483 20 30 BEEDMO 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CC#CC[N@@H+](C)CCc1ccc(C)cc1 ZINC000550127458 388599843 /nfs/dbraw/zinc/59/98/43/388599843.db2.gz BJTRBOZYOQYGMZ-UHFFFAOYSA-N 1 1 201.313 2.493 20 30 BEEDMO C#CC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000186571123 388601538 /nfs/dbraw/zinc/60/15/38/388601538.db2.gz UDAKEYMBTXVJSG-UHFFFAOYSA-N 1 1 227.311 2.031 20 30 BEEDMO C=C(C)C[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185236839 256852606 /nfs/dbraw/zinc/85/26/06/256852606.db2.gz ROFWJKXWDXPUAY-OAHLLOKOSA-N 1 1 229.389 2.186 20 30 BEEDMO C=C(C)C[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185236839 256852609 /nfs/dbraw/zinc/85/26/09/256852609.db2.gz ROFWJKXWDXPUAY-OAHLLOKOSA-N 1 1 229.389 2.186 20 30 BEEDMO C=C(CC)C[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528625675 388553026 /nfs/dbraw/zinc/55/30/26/388553026.db2.gz XWLNDZPRICHXBC-UHFFFAOYSA-N 1 1 233.315 2.265 20 30 BEEDMO C=C(CC)C[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528625675 388553027 /nfs/dbraw/zinc/55/30/27/388553027.db2.gz XWLNDZPRICHXBC-UHFFFAOYSA-N 1 1 233.315 2.265 20 30 BEEDMO 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C[C@H](C[S@@](C)=O)[N@@H+](C)CCCC(C)(C)C#N ZINC000125950121 388682934 /nfs/dbraw/zinc/68/29/34/388682934.db2.gz PBKWBFPPWXWVPN-BZNIZROVSA-N 1 1 244.404 2.015 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CC)CC ZINC000125947190 388683439 /nfs/dbraw/zinc/68/34/39/388683439.db2.gz LUXFXOQRYVIVIU-GFCCVEGCSA-N 1 1 226.364 2.141 20 30 BEEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCCC(C)(C)C#N ZINC000125949398 388683457 /nfs/dbraw/zinc/68/34/57/388683457.db2.gz PBKWBFPPWXWVPN-MEDUHNTESA-N 1 1 244.404 2.015 20 30 BEEDMO C=CC[C@H](C)[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530179151 388621069 /nfs/dbraw/zinc/62/10/69/388621069.db2.gz QEYNECKHBCLJMT-RWMBFGLXSA-N 1 1 222.376 2.461 20 30 BEEDMO Cc1ccc(NC[C@@H]2CCC[N@H+](C)C2)nc1C#N ZINC000302621194 388623372 /nfs/dbraw/zinc/62/33/72/388623372.db2.gz GYGQVNSVBWDQJD-LBPRGKRZSA-N 1 1 244.342 2.015 20 30 BEEDMO C#CC[N@H+](CCOCC(F)F)C1CCCC1 ZINC000189543615 388637410 /nfs/dbraw/zinc/63/74/10/388637410.db2.gz DDEROJTYNYGNSQ-UHFFFAOYSA-N 1 1 231.286 2.146 20 30 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C=CCCC[N@H+](CCO)CCc1ccccc1 ZINC000117883179 388726160 /nfs/dbraw/zinc/72/61/60/388726160.db2.gz PRSBXZMCNSNXTR-UHFFFAOYSA-N 1 1 233.355 2.490 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000128814426 388796103 /nfs/dbraw/zinc/79/61/03/388796103.db2.gz OWCCQRTVJIOHLO-GFCCVEGCSA-N 1 1 211.349 2.436 20 30 BEEDMO Cc1ccnc(NCC[N@H+](C)C(C)C)c1C#N ZINC000124888903 388759515 /nfs/dbraw/zinc/75/95/15/388759515.db2.gz VACMWWAFKKZBKU-UHFFFAOYSA-N 1 1 232.331 2.014 20 30 BEEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000280436192 388781877 /nfs/dbraw/zinc/78/18/77/388781877.db2.gz JYKWQIHKOZSQMY-VXGBXAGGSA-N 1 1 248.326 2.277 20 30 BEEDMO CO[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000230071994 388813350 /nfs/dbraw/zinc/81/33/50/388813350.db2.gz WKSBWBSKTKRZBD-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO CCc1nnc([C@@H](C)[NH+]2CCC(CC#N)CC2)o1 ZINC000541022408 388836930 /nfs/dbraw/zinc/83/69/30/388836930.db2.gz CUDVWLUWASOXEB-SNVBAGLBSA-N 1 1 248.330 2.319 20 30 BEEDMO 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/nfs/dbraw/zinc/29/15/40/583291540.db2.gz BYZOPADOPHROCX-LBPRGKRZSA-N 1 1 245.322 2.235 20 30 BEEDMO C[N@@H+](CCCCCO)Cc1csc(C#N)c1 ZINC000894112364 583308855 /nfs/dbraw/zinc/30/88/55/583308855.db2.gz FVUVUROJTFYLQZ-UHFFFAOYSA-N 1 1 238.356 2.214 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000877513131 583319884 /nfs/dbraw/zinc/31/98/84/583319884.db2.gz LQHYOPYAXIFALW-SECBINFHSA-N 1 1 230.267 2.035 20 30 BEEDMO Cc1[nH+]c(C=NOCC2CC2)c2ccccn12 ZINC000814241613 583350759 /nfs/dbraw/zinc/35/07/59/583350759.db2.gz LYBOPBHHVYUNTA-UHFFFAOYSA-N 1 1 229.283 2.403 20 30 BEEDMO CC[N@@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000791052914 583384533 /nfs/dbraw/zinc/38/45/33/583384533.db2.gz PHRVCNFJCXINTF-LLVKDONJSA-N 1 1 247.298 2.218 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000894386959 583443680 /nfs/dbraw/zinc/44/36/80/583443680.db2.gz GMIRXLOXYZTRIN-QMMMGPOBSA-N 1 1 225.723 2.127 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894413286 583453075 /nfs/dbraw/zinc/45/30/75/583453075.db2.gz BBZFCLIUJFWWMU-UHFFFAOYSA-N 1 1 233.267 2.394 20 30 BEEDMO Cc1n[nH]c(C[NH+]2CCC(C)(C#N)CC2)c1C ZINC000894431364 583458019 /nfs/dbraw/zinc/45/80/19/583458019.db2.gz PLPODIITIJADHP-UHFFFAOYSA-N 1 1 232.331 2.152 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1csc(C#N)c1 ZINC000894435150 583458677 /nfs/dbraw/zinc/45/86/77/583458677.db2.gz LAYZZPSSGMHAIF-SECBINFHSA-N 1 1 224.329 2.086 20 30 BEEDMO CO[C@@H](C)C[N@@H+](C)Cc1csc(C#N)c1 ZINC000894435151 583459167 /nfs/dbraw/zinc/45/91/67/583459167.db2.gz LAYZZPSSGMHAIF-VIFPVBQESA-N 1 1 224.329 2.086 20 30 BEEDMO C#CC[N@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000894469105 583467827 /nfs/dbraw/zinc/46/78/27/583467827.db2.gz CXKMEUGYTXHXQS-UHFFFAOYSA-N 1 1 237.249 2.268 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894469924 583469249 /nfs/dbraw/zinc/46/92/49/583469249.db2.gz RXRLQAOFVDTRKA-SNVBAGLBSA-N 1 1 244.298 2.050 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894532869 583479047 /nfs/dbraw/zinc/47/90/47/583479047.db2.gz OIKOODGKFWFIFR-UHFFFAOYSA-N 1 1 233.267 2.394 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1csc(C#N)c1 ZINC000894629158 583497443 /nfs/dbraw/zinc/49/74/43/583497443.db2.gz UNVYQBZOMGMPRL-DTWKUNHWSA-N 1 1 206.314 2.460 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1csc(C#N)c1 ZINC000894629158 583497445 /nfs/dbraw/zinc/49/74/45/583497445.db2.gz UNVYQBZOMGMPRL-DTWKUNHWSA-N 1 1 206.314 2.460 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000115548841 588908894 /nfs/dbraw/zinc/90/88/94/588908894.db2.gz SGCJPIMNYDXGEY-GFCCVEGCSA-N 1 1 227.348 2.452 20 30 BEEDMO Cc1cc(C[NH2+]CC2(C#N)CCC2)cnc1F ZINC000894965448 583559678 /nfs/dbraw/zinc/55/96/78/583559678.db2.gz FWWPLBXXMFISAY-UHFFFAOYSA-N 1 1 233.290 2.313 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccnn2C2CCC2)CCC1 ZINC000894965060 583559806 /nfs/dbraw/zinc/55/98/06/583559806.db2.gz AUIITOAVTFJNFF-UHFFFAOYSA-N 1 1 244.342 2.392 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ocnc2C)C1 ZINC000895078768 583581561 /nfs/dbraw/zinc/58/15/61/583581561.db2.gz QUPXAFOOTBNPSY-GFCCVEGCSA-N 1 1 218.300 2.218 20 30 BEEDMO CC(C)CCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000895105729 583590106 /nfs/dbraw/zinc/59/01/06/583590106.db2.gz BVIKRNDCZGHPRB-ZDUSSCGKSA-N 1 1 224.348 2.163 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857861268 588915389 /nfs/dbraw/zinc/91/53/89/588915389.db2.gz ZNVKKDUPABEUBF-ONGXEEELSA-N 1 1 205.305 2.341 20 30 BEEDMO N#CCC1(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857865843 588915574 /nfs/dbraw/zinc/91/55/74/588915574.db2.gz PBWMFZIHICSBNE-NSHDSACASA-N 1 1 230.315 2.071 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@H]1CO ZINC000895149726 583606171 /nfs/dbraw/zinc/60/61/71/583606171.db2.gz AMXZSLVTCIOCIU-OLZOCXBDSA-N 1 1 224.348 2.163 20 30 BEEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000895313681 583649008 /nfs/dbraw/zinc/64/90/08/583649008.db2.gz LGMUKJJULYAVIT-NSHDSACASA-N 1 1 234.299 2.414 20 30 BEEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000895313681 583649010 /nfs/dbraw/zinc/64/90/10/583649010.db2.gz LGMUKJJULYAVIT-NSHDSACASA-N 1 1 234.299 2.414 20 30 BEEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000895313680 583649015 /nfs/dbraw/zinc/64/90/15/583649015.db2.gz LGMUKJJULYAVIT-LLVKDONJSA-N 1 1 234.299 2.414 20 30 BEEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000895313680 583649016 /nfs/dbraw/zinc/64/90/16/583649016.db2.gz LGMUKJJULYAVIT-LLVKDONJSA-N 1 1 234.299 2.414 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000895562400 583691683 /nfs/dbraw/zinc/69/16/83/583691683.db2.gz GDOAJQUSVWXXPT-LBPRGKRZSA-N 1 1 243.354 2.143 20 30 BEEDMO C#CC1([NH2+]Cc2cc(F)ncc2F)CCCC1 ZINC000895675493 583704296 /nfs/dbraw/zinc/70/42/96/583704296.db2.gz RADBFEDJSGJJEJ-UHFFFAOYSA-N 1 1 236.265 2.395 20 30 BEEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCCF ZINC000895895710 583743863 /nfs/dbraw/zinc/74/38/63/583743863.db2.gz DBWIIDJJSMNDNA-UHFFFAOYSA-N 1 1 249.333 2.416 20 30 BEEDMO C=C1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896180457 583779823 /nfs/dbraw/zinc/77/98/23/583779823.db2.gz CRTSJYKWIPFYEE-GFCCVEGCSA-N 1 1 236.359 2.038 20 30 BEEDMO C#CC1([NH2+]Cc2nccn2C(C)C)CCCC1 ZINC000883362156 583783491 /nfs/dbraw/zinc/78/34/91/583783491.db2.gz VQRGBCJBZWVDRT-UHFFFAOYSA-N 1 1 231.343 2.500 20 30 BEEDMO COC1CCC(C[N@H+]2CCC[C@H](C#N)C2)CC1 ZINC000896500456 583807026 /nfs/dbraw/zinc/80/70/26/583807026.db2.gz FFSVAJFSXYVUJS-ROKHWSDSSA-N 1 1 236.359 2.427 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858039933 588930854 /nfs/dbraw/zinc/93/08/54/588930854.db2.gz AIQHZCREZKLVBQ-CQSZACIVSA-N 1 1 244.338 2.257 20 30 BEEDMO C=CCC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858038633 588931008 /nfs/dbraw/zinc/93/10/08/588931008.db2.gz NYPCTTOXPYYXFI-ZDUSSCGKSA-N 1 1 232.327 2.419 20 30 BEEDMO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)CCO1 ZINC000896577311 583813312 /nfs/dbraw/zinc/81/33/12/583813312.db2.gz BMJKMIKJBPEDEB-SNVBAGLBSA-N 1 1 236.340 2.231 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC000896577311 583813314 /nfs/dbraw/zinc/81/33/14/583813314.db2.gz BMJKMIKJBPEDEB-SNVBAGLBSA-N 1 1 236.340 2.231 20 30 BEEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2F)C1 ZINC000896636854 583819049 /nfs/dbraw/zinc/81/90/49/583819049.db2.gz FNRGCOYMGSMKOZ-ZJUUUORDSA-N 1 1 234.274 2.313 20 30 BEEDMO C=C1CC(c2noc(Cn3c[nH+]cc3C)n2)C1 ZINC000896873831 583842933 /nfs/dbraw/zinc/84/29/33/583842933.db2.gz GUWLOZKNWQQVNI-UHFFFAOYSA-N 1 1 230.271 2.056 20 30 BEEDMO CCO[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000897061817 583875843 /nfs/dbraw/zinc/87/58/43/583875843.db2.gz MJGHGCYORQTEDQ-NSHDSACASA-N 1 1 236.340 2.231 20 30 BEEDMO CC#CC[N@H+](C)Cc1cnc2c(C)cccn12 ZINC000897165779 583886503 /nfs/dbraw/zinc/88/65/03/583886503.db2.gz CBBDAERNIWYGEI-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cnc2c(C)cccn12 ZINC000897165779 583886504 /nfs/dbraw/zinc/88/65/04/583886504.db2.gz CBBDAERNIWYGEI-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO CC#CC[N@@H+](C)Cc1c(C)nn(CCC)c1C ZINC000897167833 583887487 /nfs/dbraw/zinc/88/74/87/583887487.db2.gz SYZQGFSXIOFWMK-UHFFFAOYSA-N 1 1 233.359 2.365 20 30 BEEDMO CC#CC[N@H+](C)Cc1c(C)nn(CCC)c1C ZINC000897167833 583887488 /nfs/dbraw/zinc/88/74/88/583887488.db2.gz SYZQGFSXIOFWMK-UHFFFAOYSA-N 1 1 233.359 2.365 20 30 BEEDMO CC#CC[N@H+](C)Cc1ccc(OC)cc1C ZINC000897168969 583888601 /nfs/dbraw/zinc/88/86/01/583888601.db2.gz JKWHFIPUCAGEIS-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C#CC[N@@H+](CC1CCSCC1)C(C)C ZINC000897171073 583889337 /nfs/dbraw/zinc/88/93/37/583889337.db2.gz POGNTCRQZBZZJA-UHFFFAOYSA-N 1 1 211.374 2.473 20 30 BEEDMO CC1(C)CC[N@@H+](CCNc2cccc(C#N)n2)C1 ZINC000897248905 583902828 /nfs/dbraw/zinc/90/28/28/583902828.db2.gz GXBAQCSSTNYPBM-UHFFFAOYSA-N 1 1 244.342 2.097 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(COC)o2)C1 ZINC000862445382 583963028 /nfs/dbraw/zinc/96/30/28/583963028.db2.gz SBTDYCNREKELDM-GFCCVEGCSA-N 1 1 233.311 2.271 20 30 BEEDMO C[N@H+]1CCC(=NO[C@H]2CCCCO2)CC1(C)C ZINC000863103913 583975582 /nfs/dbraw/zinc/97/55/82/583975582.db2.gz NYTWNITXOYCUMH-LBPRGKRZSA-N 1 1 240.347 2.390 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccccc1C#N ZINC000170938436 583980150 /nfs/dbraw/zinc/98/01/50/583980150.db2.gz UIALCRIFHRMRMF-UHFFFAOYSA-N 1 1 217.272 2.147 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(C#N)cs1 ZINC000897626486 584032469 /nfs/dbraw/zinc/03/24/69/584032469.db2.gz RFHUNUJWHMPYQJ-SECBINFHSA-N 1 1 248.355 2.433 20 30 BEEDMO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000897628575 584033058 /nfs/dbraw/zinc/03/30/58/584033058.db2.gz LAVABLNKZUFPLJ-NXEZZACHSA-N 1 1 246.339 2.187 20 30 BEEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000897685290 584040037 /nfs/dbraw/zinc/04/00/37/584040037.db2.gz IGDJBTBBSRHGHO-DOMZBBRYSA-N 1 1 247.338 2.064 20 30 BEEDMO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cncs1 ZINC000897930365 584061401 /nfs/dbraw/zinc/06/14/01/584061401.db2.gz OPYXGSMJVVUZQW-SECBINFHSA-N 1 1 244.323 2.261 20 30 BEEDMO C=CCCC[N@H+](CC)Cc1nccnc1OC ZINC000898244432 584099734 /nfs/dbraw/zinc/09/97/34/584099734.db2.gz KCWDNRAXALENOW-UHFFFAOYSA-N 1 1 235.331 2.273 20 30 BEEDMO C=CC(C)(C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000898458163 584137467 /nfs/dbraw/zinc/13/74/67/584137467.db2.gz YDTJZVFKOQPIJV-UHFFFAOYSA-N 1 1 242.326 2.322 20 30 BEEDMO C=C1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000898694527 584153816 /nfs/dbraw/zinc/15/38/16/584153816.db2.gz IEFQRKLPHLPLTP-AWEZNQCLSA-N 1 1 244.338 2.078 20 30 BEEDMO C=C1C[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000899899722 584248013 /nfs/dbraw/zinc/24/80/13/584248013.db2.gz AWVLIXXUMOBUGY-UHFFFAOYSA-N 1 1 248.301 2.335 20 30 BEEDMO C#CC[C@@H](CCOC)Nc1cc(CC)[nH+]c(C)n1 ZINC000858857753 588979292 /nfs/dbraw/zinc/97/92/92/588979292.db2.gz RWDHYKGFBNNHBB-ZDUSSCGKSA-N 1 1 247.342 2.188 20 30 BEEDMO C#CC[C@@H](CCOC)Nc1cccc(C)[nH+]1 ZINC000858857537 588979418 /nfs/dbraw/zinc/97/94/18/588979418.db2.gz PAFOVWCQRGYZQR-LBPRGKRZSA-N 1 1 218.300 2.230 20 30 BEEDMO C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC000901315533 584428778 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584589176 /nfs/dbraw/zinc/58/91/76/584589176.db2.gz CDQPNLDHMSMCEW-ZDUSSCGKSA-N 1 1 229.327 2.090 20 30 BEEDMO C=CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1N2)C1CC1 ZINC000902476268 584602883 /nfs/dbraw/zinc/60/28/83/584602883.db2.gz OMICHAHENAISLL-YIYPIFLZSA-N 1 1 220.360 2.214 20 30 BEEDMO C=CCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902476268 584602885 /nfs/dbraw/zinc/60/28/85/584602885.db2.gz OMICHAHENAISLL-YIYPIFLZSA-N 1 1 220.360 2.214 20 30 BEEDMO C=CCC[C@H](N[C@H]1C[NH2+]CC1(C)C)C1CC1 ZINC000902449062 584605918 /nfs/dbraw/zinc/60/59/18/584605918.db2.gz LKXZCBIXCAFFSA-STQMWFEESA-N 1 1 222.376 2.319 20 30 BEEDMO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H]2CC[C@H]1N2 ZINC000902469567 584615615 /nfs/dbraw/zinc/61/56/15/584615615.db2.gz XQFMDXNFVZORJR-WUHRBBMRSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@H](CC)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902469567 584615618 /nfs/dbraw/zinc/61/56/18/584615618.db2.gz XQFMDXNFVZORJR-WUHRBBMRSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1N2)C1CC1 ZINC000902471388 584616196 /nfs/dbraw/zinc/61/61/96/584616196.db2.gz OMICHAHENAISLL-IGQOVBAYSA-N 1 1 220.360 2.214 20 30 BEEDMO C=CCC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471388 584616197 /nfs/dbraw/zinc/61/61/97/584616197.db2.gz OMICHAHENAISLL-IGQOVBAYSA-N 1 1 220.360 2.214 20 30 BEEDMO C=CCCC[N@H+](CC)CN1C[C@@H](CC)CC1=O ZINC000902668752 584654247 /nfs/dbraw/zinc/65/42/47/584654247.db2.gz GAFDAYSYDYVWGK-ZDUSSCGKSA-N 1 1 238.375 2.491 20 30 BEEDMO C=CCCC[N@H+](CC)CN1C[C@H](C)[C@@H](C)C1=O ZINC000902668725 584654259 /nfs/dbraw/zinc/65/42/59/584654259.db2.gz FFCJYVPBLRVHBR-QWHCGFSZSA-N 1 1 238.375 2.346 20 30 BEEDMO C=CCCC[N@H+](CC)Cn1cc([N+](=O)[O-])cn1 ZINC000902669008 584654319 /nfs/dbraw/zinc/65/43/19/584654319.db2.gz HIBRBSUXRXPVHU-UHFFFAOYSA-N 1 1 238.291 2.037 20 30 BEEDMO N#Cc1ccnc(CO[NH+]=C(N)C2CCCC2)c1 ZINC000902698000 584654674 /nfs/dbraw/zinc/65/46/74/584654674.db2.gz MYBZEPHCTUBCMC-UHFFFAOYSA-N 1 1 244.298 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CCCCCCC=NN1CC[NH+](C)CC1 ZINC000755463949 585300086 /nfs/dbraw/zinc/30/00/86/585300086.db2.gz HJROWXFGCSOLSI-UHFFFAOYSA-N 1 1 211.353 2.190 20 30 BEEDMO CN(C)c1ncc(C=[NH+]NC2CCCC2)s1 ZINC000755689192 585304110 /nfs/dbraw/zinc/30/41/10/585304110.db2.gz MNMJXIIIXHGMMP-UHFFFAOYSA-N 1 1 238.360 2.075 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(C)cc1 ZINC000839532204 585307178 /nfs/dbraw/zinc/30/71/78/585307178.db2.gz RNEHEPSICDNFMA-UHFFFAOYSA-N 1 1 217.312 2.077 20 30 BEEDMO CC(C)[N@@H+]1CC(=NO[C@H]2CCCCO2)[C@@H](C)C1 ZINC000755821132 585308193 /nfs/dbraw/zinc/30/81/93/585308193.db2.gz BLXMJUJTCWYJJQ-AAEUAGOBSA-N 1 1 240.347 2.246 20 30 BEEDMO C[C@@H](C=NN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000756873324 585324651 /nfs/dbraw/zinc/32/46/51/585324651.db2.gz SAXQRNFNFZKLII-LBPRGKRZSA-N 1 1 249.333 2.162 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCCOC(C)(C)C ZINC000756880046 585324714 /nfs/dbraw/zinc/32/47/14/585324714.db2.gz FCLRACYDDNTDPD-UHFFFAOYSA-N 1 1 221.344 2.150 20 30 BEEDMO C#CCC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632467 585333016 /nfs/dbraw/zinc/33/30/16/585333016.db2.gz VKXDWICRJUSRPC-LLVKDONJSA-N 1 1 237.343 2.204 20 30 BEEDMO C#CCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632467 585333017 /nfs/dbraw/zinc/33/30/17/585333017.db2.gz VKXDWICRJUSRPC-LLVKDONJSA-N 1 1 237.343 2.204 20 30 BEEDMO CCCCCCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839670868 585336486 /nfs/dbraw/zinc/33/64/86/585336486.db2.gz IQLQLXORLSUUNQ-QWHCGFSZSA-N 1 1 229.364 2.038 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000839678957 585337288 /nfs/dbraw/zinc/33/72/88/585337288.db2.gz BHPMEONNYQHOTN-AAEUAGOBSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H](C#N)C[NH2+]Cc1cnc2ccccc2c1 ZINC000757907810 585346643 /nfs/dbraw/zinc/34/66/43/585346643.db2.gz PHVUNZJHDIXNBD-NSHDSACASA-N 1 1 225.295 2.484 20 30 BEEDMO N#Cc1ccc(C[N@@H+](CCF)C2CC2)cc1 ZINC000759330147 585367838 /nfs/dbraw/zinc/36/78/38/585367838.db2.gz FIWHPCOCHDGQOK-UHFFFAOYSA-N 1 1 218.275 2.492 20 30 BEEDMO N#Cc1ccc(C[N@H+](CCF)C2CC2)cc1 ZINC000759330147 585367839 /nfs/dbraw/zinc/36/78/39/585367839.db2.gz FIWHPCOCHDGQOK-UHFFFAOYSA-N 1 1 218.275 2.492 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cccc(C)c1 ZINC000760818556 585397701 /nfs/dbraw/zinc/39/77/01/585397701.db2.gz GPRGTLWYCWVQID-UHFFFAOYSA-N 1 1 231.339 2.467 20 30 BEEDMO C#CCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000760830191 585398117 /nfs/dbraw/zinc/39/81/17/585398117.db2.gz KZFDIBTVMOCUGM-GFCCVEGCSA-N 1 1 209.333 2.025 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](CCC#N)CC(C)C ZINC000760857630 585399977 /nfs/dbraw/zinc/39/99/77/585399977.db2.gz ZBWMLCHUYQWMBD-ZDUSSCGKSA-N 1 1 224.348 2.185 20 30 BEEDMO C=CCCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000805218506 585403610 /nfs/dbraw/zinc/40/36/10/585403610.db2.gz BQFRLDNFLVPWPF-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000761080518 585406718 /nfs/dbraw/zinc/40/67/18/585406718.db2.gz WQYZHKBGPCCHRP-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761080518 585406719 /nfs/dbraw/zinc/40/67/19/585406719.db2.gz WQYZHKBGPCCHRP-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@@H](C)C1 ZINC000761080518 585406720 /nfs/dbraw/zinc/40/67/20/585406720.db2.gz WQYZHKBGPCCHRP-QWHCGFSZSA-N 1 1 243.354 2.255 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000761109011 585409920 /nfs/dbraw/zinc/40/99/20/585409920.db2.gz MYELESICKHZCJI-LBPRGKRZSA-N 1 1 235.302 2.468 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc(F)cc2F)C[N@H+]1C ZINC000761795369 585418568 /nfs/dbraw/zinc/41/85/68/585418568.db2.gz ZJHCVEPRGSRPCM-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)COC2 ZINC000762795375 585437301 /nfs/dbraw/zinc/43/73/01/585437301.db2.gz VNKBNTYLHLUWIY-CQSZACIVSA-N 1 1 230.311 2.499 20 30 BEEDMO C#CC[N@H+](CCOc1cccc(C)c1)C1CC1 ZINC000763955212 585457707 /nfs/dbraw/zinc/45/77/07/585457707.db2.gz JTPNONDYFMUUJR-UHFFFAOYSA-N 1 1 229.323 2.471 20 30 BEEDMO C#CC[N@@H+](Cc1cc(C)oc1C)C1CC1 ZINC000764682878 585470911 /nfs/dbraw/zinc/47/09/11/585470911.db2.gz MJEMRTJBOOFEMB-UHFFFAOYSA-N 1 1 203.285 2.494 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)oc1C)C1CC1 ZINC000764682878 585470912 /nfs/dbraw/zinc/47/09/12/585470912.db2.gz MJEMRTJBOOFEMB-UHFFFAOYSA-N 1 1 203.285 2.494 20 30 BEEDMO Fc1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765570514 585489844 /nfs/dbraw/zinc/48/98/44/585489844.db2.gz CFSZFJJBMIGRMT-ZDUSSCGKSA-N 1 1 233.290 2.462 20 30 BEEDMO Cc1cccc(CNN=C2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765585268 585490441 /nfs/dbraw/zinc/49/04/41/585490441.db2.gz YOYXNMVTKJMVCE-HNNXBMFYSA-N 1 1 243.354 2.309 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc2nsnc21 ZINC000766043231 585496652 /nfs/dbraw/zinc/49/66/52/585496652.db2.gz HKKOJAGYIIOHIL-VIFPVBQESA-N 1 1 246.339 2.283 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2nsnc21 ZINC000766043231 585496653 /nfs/dbraw/zinc/49/66/53/585496653.db2.gz HKKOJAGYIIOHIL-VIFPVBQESA-N 1 1 246.339 2.283 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000766665419 585504700 /nfs/dbraw/zinc/50/47/00/585504700.db2.gz FUCUMVQDHLJNEM-GFCCVEGCSA-N 1 1 217.312 2.463 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000766664000 585504780 /nfs/dbraw/zinc/50/47/80/585504780.db2.gz PWXFALIIYGVSGH-LLVKDONJSA-N 1 1 233.311 2.163 20 30 BEEDMO C#CCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000766895180 585509286 /nfs/dbraw/zinc/50/92/86/585509286.db2.gz JUQDUUQDRJDCFP-GFCCVEGCSA-N 1 1 233.315 2.318 20 30 BEEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000766895180 585509287 /nfs/dbraw/zinc/50/92/87/585509287.db2.gz JUQDUUQDRJDCFP-GFCCVEGCSA-N 1 1 233.315 2.318 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000766895499 585509547 /nfs/dbraw/zinc/50/95/47/585509547.db2.gz KQHRTPYSFRYPDE-OAHLLOKOSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000766895499 585509548 /nfs/dbraw/zinc/50/95/48/585509548.db2.gz KQHRTPYSFRYPDE-OAHLLOKOSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCCC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000766896612 585509901 /nfs/dbraw/zinc/50/99/01/585509901.db2.gz VDMQHVAJEYXVRA-UHFFFAOYSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000766896612 585509902 /nfs/dbraw/zinc/50/99/02/585509902.db2.gz VDMQHVAJEYXVRA-UHFFFAOYSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000766903573 585510550 /nfs/dbraw/zinc/51/05/50/585510550.db2.gz SLHAAIHHDPUXBY-ZIAGYGMSSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000766903573 585510551 /nfs/dbraw/zinc/51/05/51/585510551.db2.gz SLHAAIHHDPUXBY-ZIAGYGMSSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000766903573 585510552 /nfs/dbraw/zinc/51/05/52/585510552.db2.gz SLHAAIHHDPUXBY-ZIAGYGMSSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000766903573 585510553 /nfs/dbraw/zinc/51/05/53/585510553.db2.gz SLHAAIHHDPUXBY-ZIAGYGMSSA-N 1 1 222.376 2.204 20 30 BEEDMO C#CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000766904085 585510799 /nfs/dbraw/zinc/51/07/99/585510799.db2.gz WDRKOCBLDSHMAD-HNNXBMFYSA-N 1 1 234.387 2.208 20 30 BEEDMO C#CCCC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000766903088 585510855 /nfs/dbraw/zinc/51/08/55/585510855.db2.gz PESDDQPQHYPPOU-CQSZACIVSA-N 1 1 222.376 2.206 20 30 BEEDMO C#CCCC[N@H+](C)CC[C@H]1CCCCN1C ZINC000766903088 585510856 /nfs/dbraw/zinc/51/08/56/585510856.db2.gz PESDDQPQHYPPOU-CQSZACIVSA-N 1 1 222.376 2.206 20 30 BEEDMO C#CCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000766906043 585510985 /nfs/dbraw/zinc/51/09/85/585510985.db2.gz MVKZHWDYXCGLPV-LBPRGKRZSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000766906043 585510986 /nfs/dbraw/zinc/51/09/86/585510986.db2.gz MVKZHWDYXCGLPV-LBPRGKRZSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000766905298 585511285 /nfs/dbraw/zinc/51/12/85/585511285.db2.gz JMYFJESXMRJPDA-UHFFFAOYSA-N 1 1 225.332 2.063 20 30 BEEDMO C#CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000766935962 585512144 /nfs/dbraw/zinc/51/21/44/585512144.db2.gz CVPVMQNFCOVQSF-UHFFFAOYSA-N 1 1 244.294 2.366 20 30 BEEDMO C=CC[N@H+](Cc1cc(C)n(C)n1)C(C)C ZINC000767891779 585527632 /nfs/dbraw/zinc/52/76/32/585527632.db2.gz RXIXYAOFZMOKLM-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO C=CC[N@@H+](Cc1cc(C)n(C)n1)C(C)C ZINC000767891779 585527633 /nfs/dbraw/zinc/52/76/33/585527633.db2.gz RXIXYAOFZMOKLM-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO CCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(O)c1 ZINC000768876631 585545332 /nfs/dbraw/zinc/54/53/32/585545332.db2.gz FHLVIHXMXGHIMG-NSHDSACASA-N 1 1 248.326 2.382 20 30 BEEDMO CCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(O)c1 ZINC000768876631 585545333 /nfs/dbraw/zinc/54/53/33/585545333.db2.gz FHLVIHXMXGHIMG-NSHDSACASA-N 1 1 248.326 2.382 20 30 BEEDMO COC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000769534184 585558912 /nfs/dbraw/zinc/55/89/12/585558912.db2.gz SPCYTWHUYIUIGQ-JTQLQIEISA-N 1 1 238.356 2.334 20 30 BEEDMO C=CC[N@H+](CCO[C@H]1CCCCO1)C(C)C ZINC000769711769 585562295 /nfs/dbraw/zinc/56/22/95/585562295.db2.gz XVOYHNUPRSNKJJ-ZDUSSCGKSA-N 1 1 227.348 2.426 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000769897282 585566054 /nfs/dbraw/zinc/56/60/54/585566054.db2.gz IIXJSGDVGVEYNP-QWRGUYRKSA-N 1 1 249.276 2.035 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCN1CCCc2ccccc21 ZINC000769978079 585568264 /nfs/dbraw/zinc/56/82/64/585568264.db2.gz OZAIQNVUIWTDFI-CQSZACIVSA-N 1 1 242.366 2.393 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000770025361 585569872 /nfs/dbraw/zinc/56/98/72/585569872.db2.gz LWRAWPRGAQRHOV-KGLIPLIRSA-N 1 1 245.370 2.401 20 30 BEEDMO C=CC[N@H+](CN1CC2(CCCC2)CC1=O)C1CC1 ZINC000771640294 585598275 /nfs/dbraw/zinc/59/82/75/585598275.db2.gz MGPWLTBCHOETEP-UHFFFAOYSA-N 1 1 248.370 2.387 20 30 BEEDMO C=CC[N@@H+](CN1CC2(CCCC2)CC1=O)C1CC1 ZINC000771640294 585598276 /nfs/dbraw/zinc/59/82/76/585598276.db2.gz MGPWLTBCHOETEP-UHFFFAOYSA-N 1 1 248.370 2.387 20 30 BEEDMO CC1=CCC[C@@H](C)[C@@H]1C=NN1CC[NH+](C)CC1 ZINC000773182037 585633328 /nfs/dbraw/zinc/63/33/28/585633328.db2.gz XXIBFKPOHVFWIG-ZIAGYGMSSA-N 1 1 235.375 2.212 20 30 BEEDMO CCOCCON=Cc1[nH+]c(C)n2ccccc12 ZINC000774436549 585658805 /nfs/dbraw/zinc/65/88/05/585658805.db2.gz KDLPTVVWTJOPPM-UHFFFAOYSA-N 1 1 247.298 2.030 20 30 BEEDMO C1CCC(ON=C2CC[N@H+]3CCC[C@H]23)C1 ZINC000774596337 585661627 /nfs/dbraw/zinc/66/16/27/585661627.db2.gz CTGUKXWWHVBKDD-GFCCVEGCSA-N 1 1 208.305 2.170 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000775061040 585671529 /nfs/dbraw/zinc/67/15/29/585671529.db2.gz PWUDTCQOSVOMPZ-CHWSQXEVSA-N 1 1 220.316 2.305 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000775061040 585671530 /nfs/dbraw/zinc/67/15/30/585671530.db2.gz PWUDTCQOSVOMPZ-CHWSQXEVSA-N 1 1 220.316 2.305 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C)c1O ZINC000775184253 585672968 /nfs/dbraw/zinc/67/29/68/585672968.db2.gz NUPAVAGESOPVFD-LLVKDONJSA-N 1 1 203.285 2.154 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000775180376 585673039 /nfs/dbraw/zinc/67/30/39/585673039.db2.gz WTUZDSRQMCQRMG-SNVBAGLBSA-N 1 1 213.284 2.016 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000775180376 585673040 /nfs/dbraw/zinc/67/30/40/585673040.db2.gz WTUZDSRQMCQRMG-SNVBAGLBSA-N 1 1 213.284 2.016 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1cncc(F)c1)[C@H]1CCCO1 ZINC000775572222 585680305 /nfs/dbraw/zinc/68/03/05/585680305.db2.gz PRGIRTXUVIPOQQ-DDTOSNHZSA-N 1 1 248.301 2.052 20 30 BEEDMO C[C@H]1CC(=NOC2CCCCC2)C[N@H+]1C ZINC000777458954 585712884 /nfs/dbraw/zinc/71/28/84/585712884.db2.gz MICQGLWPLXTTAX-JTQLQIEISA-N 1 1 210.321 2.416 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1=NOC1CCCCC1 ZINC000777458977 585712978 /nfs/dbraw/zinc/71/29/78/585712978.db2.gz MTNDACKEGZGNEP-SNVBAGLBSA-N 1 1 210.321 2.273 20 30 BEEDMO C#CCC[N@@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000777744328 585719610 /nfs/dbraw/zinc/71/96/10/585719610.db2.gz IKUHFMOKHYNSNM-UHFFFAOYSA-N 1 1 233.286 2.216 20 30 BEEDMO C#CCC[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000777744328 585719611 /nfs/dbraw/zinc/71/96/11/585719611.db2.gz IKUHFMOKHYNSNM-UHFFFAOYSA-N 1 1 233.286 2.216 20 30 BEEDMO C=C(C)C[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000777959555 585724354 /nfs/dbraw/zinc/72/43/54/585724354.db2.gz PTEIQMUDIUGFBZ-QWHCGFSZSA-N 1 1 236.359 2.243 20 30 BEEDMO C=C(C)C[N@@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000777959555 585724355 /nfs/dbraw/zinc/72/43/55/585724355.db2.gz PTEIQMUDIUGFBZ-QWHCGFSZSA-N 1 1 236.359 2.243 20 30 BEEDMO CCC(=NN1CC[NH+](C)CC1)c1ccccc1F ZINC000778533935 585736738 /nfs/dbraw/zinc/73/67/38/585736738.db2.gz LABGXYNIPREPLD-UHFFFAOYSA-N 1 1 249.333 2.187 20 30 BEEDMO Cc1cc(C=NNc2cc[nH+]cc2)cc(C)c1O ZINC000779807508 585765226 /nfs/dbraw/zinc/76/52/26/585765226.db2.gz ZOUDERGULMPRDC-UHFFFAOYSA-N 1 1 241.294 2.272 20 30 BEEDMO Cc1ccc(F)c(C=NNc2cc[nH+]cc2)c1 ZINC000779808713 585765570 /nfs/dbraw/zinc/76/55/70/585765570.db2.gz GLBZEYYVGROWBD-UHFFFAOYSA-N 1 1 229.258 2.397 20 30 BEEDMO Fc1ccc(C=NNc2cc[nH+]cc2)c(F)c1 ZINC000779809234 585765653 /nfs/dbraw/zinc/76/56/53/585765653.db2.gz VFNQHYHYFIZMRV-UHFFFAOYSA-N 1 1 233.221 2.228 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1cc(F)ccc1O ZINC000779809102 585765944 /nfs/dbraw/zinc/76/59/44/585765944.db2.gz SYEZDNBDBAYDMX-UHFFFAOYSA-N 1 1 245.257 2.184 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C#N)s1 ZINC000779811696 585766518 /nfs/dbraw/zinc/76/65/18/585766518.db2.gz QYSKILWWARCURO-UHFFFAOYSA-N 1 1 242.307 2.273 20 30 BEEDMO C[C@@H]1CCCC(=NN2CC[NH+](C)CC2)[C@H]1C ZINC000781114731 585790582 /nfs/dbraw/zinc/79/05/82/585790582.db2.gz BHENGYAOBSGCGO-NEPJUHHUSA-N 1 1 223.364 2.046 20 30 BEEDMO C[N@H+]1CCCC(N=Nc2ccnc(F)c2)CC1 ZINC000781128314 585790950 /nfs/dbraw/zinc/79/09/50/585790950.db2.gz UQOKLKIDPRZLBS-UHFFFAOYSA-N 1 1 236.294 2.104 20 30 BEEDMO C[C@@H](N[C@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423027 585795983 /nfs/dbraw/zinc/79/59/83/585795983.db2.gz OQMNABVFNABYSD-PWSUYJOCSA-N 1 1 247.317 2.052 20 30 BEEDMO C[C@@H](N[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423027 585795984 /nfs/dbraw/zinc/79/59/84/585795984.db2.gz OQMNABVFNABYSD-PWSUYJOCSA-N 1 1 247.317 2.052 20 30 BEEDMO CC1(C)CCC[C@H]1NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000782289973 585814078 /nfs/dbraw/zinc/81/40/78/585814078.db2.gz YMHFBHICDMJQPI-QWHCGFSZSA-N 1 1 235.375 2.379 20 30 BEEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNCCC(C)(C)C ZINC000782903684 585825016 /nfs/dbraw/zinc/82/50/16/585825016.db2.gz YICZAZUERRFTJU-NSHDSACASA-N 1 1 237.391 2.482 20 30 BEEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNCCC(C)(C)C ZINC000782903684 585825017 /nfs/dbraw/zinc/82/50/17/585825017.db2.gz YICZAZUERRFTJU-NSHDSACASA-N 1 1 237.391 2.482 20 30 BEEDMO CC[C@H]1CCC[C@H](C=NN2CC[NH+](C)CC2)C1 ZINC000783774384 585842836 /nfs/dbraw/zinc/84/28/36/585842836.db2.gz UZLZWGORWSJPSR-KBPBESRZSA-N 1 1 237.391 2.436 20 30 BEEDMO C#CC[N@H+](CC#CC)CCc1cccc(F)c1F ZINC000784164007 585852113 /nfs/dbraw/zinc/85/21/13/585852113.db2.gz XURUWTWXCCUBCZ-UHFFFAOYSA-N 1 1 247.288 2.466 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCc1cccc(F)c1F ZINC000784164007 585852114 /nfs/dbraw/zinc/85/21/14/585852114.db2.gz XURUWTWXCCUBCZ-UHFFFAOYSA-N 1 1 247.288 2.466 20 30 BEEDMO C#CC[NH+](CC#C)CCc1cccc(F)c1F ZINC000784162789 585852200 /nfs/dbraw/zinc/85/22/00/585852200.db2.gz IVSGEJLHAJLHGY-UHFFFAOYSA-N 1 1 233.261 2.076 20 30 BEEDMO C=CCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784401470 585858742 /nfs/dbraw/zinc/85/87/42/585858742.db2.gz ZUBVZPBIGMPDSM-UHFFFAOYSA-N 1 1 249.333 2.309 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000784455494 585860611 /nfs/dbraw/zinc/86/06/11/585860611.db2.gz VFBXYKDYFQRLGN-LSDHHAIUSA-N 1 1 244.338 2.346 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000784455494 585860612 /nfs/dbraw/zinc/86/06/12/585860612.db2.gz VFBXYKDYFQRLGN-LSDHHAIUSA-N 1 1 244.338 2.346 20 30 BEEDMO C=C(Cl)C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000784555723 585863471 /nfs/dbraw/zinc/86/34/71/585863471.db2.gz UDKRODAMGLUGMD-UHFFFAOYSA-N 1 1 244.766 2.118 20 30 BEEDMO 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/nfs/dbraw/zinc/29/70/15/588297015.db2.gz FFQGXQQQWUPWQY-CQSZACIVSA-N 1 1 245.370 2.259 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2oc(CC)nc2C)C1 ZINC000847018478 588302032 /nfs/dbraw/zinc/30/20/32/588302032.db2.gz KIMPTKSRLLUJOK-GFCCVEGCSA-N 1 1 232.327 2.391 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(CC)cn2)C1 ZINC000847018526 588302227 /nfs/dbraw/zinc/30/22/27/588302227.db2.gz KXEVOUIGPSMCII-AWEZNQCLSA-N 1 1 228.339 2.489 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000847019448 588302236 /nfs/dbraw/zinc/30/22/36/588302236.db2.gz QMAFIGOOSVCIPH-GFCCVEGCSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCCC(=O)CC)C1 ZINC000847019655 588302345 /nfs/dbraw/zinc/30/23/45/588302345.db2.gz SNNIUSUWTRZRCU-GFCCVEGCSA-N 1 1 207.317 2.091 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCCC(=O)CC)C1 ZINC000847019656 588302408 /nfs/dbraw/zinc/30/24/08/588302408.db2.gz SNNIUSUWTRZRCU-LBPRGKRZSA-N 1 1 207.317 2.091 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000847023195 588303334 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588304718 /nfs/dbraw/zinc/30/47/18/588304718.db2.gz PGTJLYBFJWPQPP-ZIAGYGMSSA-N 1 1 223.360 2.393 20 30 BEEDMO C#CCCC[NH+]1CCN(C(C)(C)CC)CC1 ZINC000847039697 588304811 /nfs/dbraw/zinc/30/48/11/588304811.db2.gz GXCMBVLBQZFZJY-UHFFFAOYSA-N 1 1 222.376 2.206 20 30 BEEDMO CC(C)CO[NH+]=Cc1cccc(F)c1N ZINC000848406624 588378492 /nfs/dbraw/zinc/37/84/92/588378492.db2.gz HNXQDMIDJFPEOG-UHFFFAOYSA-N 1 1 210.252 2.414 20 30 BEEDMO C=CCCc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848630486 588402626 /nfs/dbraw/zinc/40/26/26/588402626.db2.gz MMJDZPJKRHNESB-SNVBAGLBSA-N 1 1 234.303 2.272 20 30 BEEDMO C#C[C@@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000848751106 588411234 /nfs/dbraw/zinc/41/12/34/588411234.db2.gz WLWKJTUWAVGUGK-GFCCVEGCSA-N 1 1 200.285 2.240 20 30 BEEDMO C#C[C@@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000848750021 588411435 /nfs/dbraw/zinc/41/14/35/588411435.db2.gz PFADMCJHPUQVDW-GFCCVEGCSA-N 1 1 229.327 2.197 20 30 BEEDMO C=CC[N@@H+](Cc1cnc(Cl)n1C)C(C)C ZINC000848882067 588416018 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/nfs/dbraw/zinc/61/83/41/588618341.db2.gz QSPOBHHAEIDJPG-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+](Cc1ccco1)C(C)C ZINC000851739005 588620847 /nfs/dbraw/zinc/62/08/47/588620847.db2.gz ZOWAZENZPWOCGA-UHFFFAOYSA-N 1 1 221.300 2.140 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000851739152 588620998 /nfs/dbraw/zinc/62/09/98/588620998.db2.gz DITHINIKLHCUHQ-HNNXBMFYSA-N 1 1 229.323 2.126 20 30 BEEDMO CC[N@@H+](CC[C@H]1COC(C)(C)O1)C[C@@H](C)C#N ZINC000851742668 588621168 /nfs/dbraw/zinc/62/11/68/588621168.db2.gz OLNAYWWACDHISN-RYUDHWBXSA-N 1 1 240.347 2.010 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CC[C@@H](OC)C1 ZINC000851741202 588621207 /nfs/dbraw/zinc/62/12/07/588621207.db2.gz BRVHXTROZMMSBP-GRYCIOLGSA-N 1 1 210.321 2.035 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000851745919 588621880 /nfs/dbraw/zinc/62/18/80/588621880.db2.gz ODORKEYILHANRZ-OAHLLOKOSA-N 1 1 243.350 2.434 20 30 BEEDMO C=CCCC[N@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851777975 588626877 /nfs/dbraw/zinc/62/68/77/588626877.db2.gz BGVBUDPLGBTFDN-GFCCVEGCSA-N 1 1 227.348 2.426 20 30 BEEDMO C=CCCCCC[N@@H+](C)Cc1cnon1 ZINC000851781277 588627310 /nfs/dbraw/zinc/62/73/10/588627310.db2.gz SEKXYMAZDOLABC-UHFFFAOYSA-N 1 1 209.293 2.248 20 30 BEEDMO C=CCCCCC[N@H+](C)Cc1cnon1 ZINC000851781277 588627311 /nfs/dbraw/zinc/62/73/11/588627311.db2.gz SEKXYMAZDOLABC-UHFFFAOYSA-N 1 1 209.293 2.248 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC(C)(C)CC1 ZINC000851783022 588627921 /nfs/dbraw/zinc/62/79/21/588627921.db2.gz HDYFIYDYTJOQFD-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCOCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000851786379 588628671 /nfs/dbraw/zinc/62/86/71/588628671.db2.gz ZQJRKMCYTOWUCK-RDBSUJKOSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CCOCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000851786377 588628685 /nfs/dbraw/zinc/62/86/85/588628685.db2.gz ZQJRKMCYTOWUCK-MCIONIFRSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000851800520 588630646 /nfs/dbraw/zinc/63/06/46/588630646.db2.gz KRGLTDOYSGXDQK-CQSZACIVSA-N 1 1 215.296 2.083 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000851841622 588634457 /nfs/dbraw/zinc/63/44/57/588634457.db2.gz LLLVPFFCRUUBGA-LBPRGKRZSA-N 1 1 233.311 2.035 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000851920820 588643715 /nfs/dbraw/zinc/64/37/15/588643715.db2.gz SGJCLUJLEZHZAR-MELADBBJSA-N 1 1 221.344 2.147 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000851935414 588645656 /nfs/dbraw/zinc/64/56/56/588645656.db2.gz UXLAKFGZLKFBBI-HIFRSBDPSA-N 1 1 244.338 2.114 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000851977241 588650601 /nfs/dbraw/zinc/65/06/01/588650601.db2.gz UUWFOBDGQWWSBU-UPJWGTAASA-N 1 1 209.333 2.003 20 30 BEEDMO C#CC(C)(C)N(C)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851986235 588651660 /nfs/dbraw/zinc/65/16/60/588651660.db2.gz GECYUDFCOJSVOT-OKILXGFUSA-N 1 1 236.403 2.308 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000851990140 588652023 /nfs/dbraw/zinc/65/20/23/588652023.db2.gz OKGOMIFWOIWNQK-WCQYABFASA-N 1 1 209.333 2.145 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000851990084 588652691 /nfs/dbraw/zinc/65/26/91/588652691.db2.gz NZJAYAKVRKANAI-VIFPVBQESA-N 1 1 204.273 2.006 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000851990084 588652692 /nfs/dbraw/zinc/65/26/92/588652692.db2.gz NZJAYAKVRKANAI-VIFPVBQESA-N 1 1 204.273 2.006 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccn1 ZINC000851995701 588653383 /nfs/dbraw/zinc/65/33/83/588653383.db2.gz WSFSDDZUYCHXSA-OCCSQVGLSA-N 1 1 232.327 2.156 20 30 BEEDMO C#CCCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852019750 588656003 /nfs/dbraw/zinc/65/60/03/588656003.db2.gz GASJSGCAMZDYQX-UHFFFAOYSA-N 1 1 249.741 2.257 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000852150160 588667471 /nfs/dbraw/zinc/66/74/71/588667471.db2.gz QYRBJZUCBWSERY-ZDUSSCGKSA-N 1 1 223.360 2.394 20 30 BEEDMO C#CCOCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000852208979 588672084 /nfs/dbraw/zinc/67/20/84/588672084.db2.gz LIJIHAPMZFUCBF-AWEZNQCLSA-N 1 1 221.344 2.291 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(C3CC3)no2)C1 ZINC000852215881 588673298 /nfs/dbraw/zinc/67/32/98/588673298.db2.gz PVTSODPWPLENGH-NSHDSACASA-N 1 1 230.311 2.397 20 30 BEEDMO C#CCOCC[N@@H+]1CCc2ccc(C)cc2C1 ZINC000852404955 588680787 /nfs/dbraw/zinc/68/07/87/588680787.db2.gz XNYLZVUJUWGAPZ-UHFFFAOYSA-N 1 1 229.323 2.003 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](CCC(OC)OC)C1 ZINC000852410270 588681327 /nfs/dbraw/zinc/68/13/27/588681327.db2.gz KWNOBHIIDDFTGE-GFCCVEGCSA-N 1 1 227.348 2.284 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000852495379 588685252 /nfs/dbraw/zinc/68/52/52/588685252.db2.gz JKLPZFALRVWQDL-MELADBBJSA-N 1 1 249.354 2.063 20 30 BEEDMO C=CC[N@@H+](CCN1CCCC1)C(C)(C)C ZINC000852553738 588689508 /nfs/dbraw/zinc/68/95/08/588689508.db2.gz UULAEMQJGRIOCY-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CC[N@H+](CCN1CCCC1)C(C)(C)C ZINC000852553738 588689509 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C#CC[C@@H]1CCC[N@H+](Cc2cnc(C)o2)C1 ZINC000862400201 589209195 /nfs/dbraw/zinc/20/91/95/589209195.db2.gz PTWUCTGWRBRCGU-GFCCVEGCSA-N 1 1 218.300 2.218 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccnc(F)c2)CCCC1 ZINC000862400590 589209274 /nfs/dbraw/zinc/20/92/74/589209274.db2.gz BFGPLQMENISVCR-UHFFFAOYSA-N 1 1 233.290 2.394 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(Cl)n2C)C1 ZINC000862441050 589212869 /nfs/dbraw/zinc/21/28/69/589212869.db2.gz NUWMXZORLLVATA-SNVBAGLBSA-N 1 1 239.750 2.472 20 30 BEEDMO C=CC[C@H]1CC[N@H+](Cc2cnn(C)c2Cl)C1 ZINC000862440025 589212925 /nfs/dbraw/zinc/21/29/25/589212925.db2.gz DRGFEPCAZLNXKR-JTQLQIEISA-N 1 1 239.750 2.472 20 30 BEEDMO C#CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862441758 589213459 /nfs/dbraw/zinc/21/34/59/589213459.db2.gz VPBDXZRYCZIROP-OKILXGFUSA-N 1 1 227.307 2.150 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000862444600 589214099 /nfs/dbraw/zinc/21/40/99/589214099.db2.gz CZWNOXIBOICMSG-LLVKDONJSA-N 1 1 246.379 2.477 20 30 BEEDMO 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C=C(Cl)C[C@H]([NH3+])c1nc(C(C)C)no1 ZINC000872172395 589887947 /nfs/dbraw/zinc/88/79/47/589887947.db2.gz FXKZHCYZIROZAR-ZETCQYMHSA-N 1 1 215.684 2.335 20 30 BEEDMO C[C@@H]1C(N=Nc2ccc(F)cc2)CC[N@H+]1C ZINC000872326777 589912902 /nfs/dbraw/zinc/91/29/02/589912902.db2.gz XILIWJPOZVSECK-SECBINFHSA-N 1 1 221.279 2.318 20 30 BEEDMO C[C@H]1C(N=Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000872341708 589914823 /nfs/dbraw/zinc/91/48/23/589914823.db2.gz HFEXLOZDTJMTAY-JTQLQIEISA-N 1 1 228.299 2.050 20 30 BEEDMO C[C@H]1C(N=Nc2ncccc2Cl)CC[N@H+]1C ZINC000872344289 589915486 /nfs/dbraw/zinc/91/54/86/589915486.db2.gz RMLZZXPGHXXMBP-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO C[C@H]1C(N=Nc2c(F)cccc2F)CC[N@H+]1C ZINC000872353175 589916945 /nfs/dbraw/zinc/91/69/45/589916945.db2.gz XROMETZNCVRPDJ-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO C[C@H]1C(N=Nc2ccc(Cl)nc2)CC[N@H+]1C ZINC000872354136 589917086 /nfs/dbraw/zinc/91/70/86/589917086.db2.gz WSSBDHNHVHVULQ-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](C)[C@@H]1C ZINC000872371117 589923379 /nfs/dbraw/zinc/92/33/79/589923379.db2.gz JOXLHXOLVUSOLR-SNVBAGLBSA-N 1 1 247.346 2.092 20 30 BEEDMO C=C[C@@H](C)ON=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872387513 589930588 /nfs/dbraw/zinc/93/05/88/589930588.db2.gz RQPBJJDQVAOFRV-ZYHUDNBSSA-N 1 1 240.372 2.145 20 30 BEEDMO C(=[NH+]n1cccn1)C1([C@@H]2CCCCO2)CCC1 ZINC000872393031 589931696 /nfs/dbraw/zinc/93/16/96/589931696.db2.gz IHTIIZQWUWNRSM-LBPRGKRZSA-N 1 1 233.315 2.456 20 30 BEEDMO CSc1nnc(SC)n1[NH+]=CC(C)C ZINC000872417830 589937473 /nfs/dbraw/zinc/93/74/73/589937473.db2.gz QCAUPYFNXPJNTR-UHFFFAOYSA-N 1 1 230.362 2.212 20 30 BEEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1N ZINC000873279605 590017517 /nfs/dbraw/zinc/01/75/17/590017517.db2.gz JLFITTDJJKPGQH-VXGBXAGGSA-N 1 1 210.365 2.448 20 30 BEEDMO CC[C@H](C#N)OC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000125348823 590162091 /nfs/dbraw/zinc/16/20/91/590162091.db2.gz HJIDKVFUGUSDFD-NWDGAFQWSA-N 1 1 238.331 2.096 20 30 BEEDMO CC[C@H](C#N)OC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000125348417 590162195 /nfs/dbraw/zinc/16/21/95/590162195.db2.gz HJIDKVFUGUSDFD-VXGBXAGGSA-N 1 1 238.331 2.096 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1CO ZINC000876526470 590208350 /nfs/dbraw/zinc/20/83/50/590208350.db2.gz VAFWPQDSGHYAQL-AWEZNQCLSA-N 1 1 223.360 2.417 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1CO ZINC000876563093 590216377 /nfs/dbraw/zinc/21/63/77/590216377.db2.gz XVWGXWKLYPKHNJ-CYBMUJFWSA-N 1 1 209.333 2.027 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000876594871 590219850 /nfs/dbraw/zinc/21/98/50/590219850.db2.gz SNRQQWJYISGFEN-CYBMUJFWSA-N 1 1 237.343 2.065 20 30 BEEDMO C#CCCCCCC[N@H+]1CCCOCC1 ZINC000876618553 590222429 /nfs/dbraw/zinc/22/24/29/590222429.db2.gz YTBWTVHATGZLKE-UHFFFAOYSA-N 1 1 209.333 2.292 20 30 BEEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876636936 590224253 /nfs/dbraw/zinc/22/42/53/590224253.db2.gz NPLXYGNJRHKHDN-SECBINFHSA-N 1 1 235.718 2.448 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876636936 590224254 /nfs/dbraw/zinc/22/42/54/590224254.db2.gz NPLXYGNJRHKHDN-SECBINFHSA-N 1 1 235.718 2.448 20 30 BEEDMO C#CC[N@H+](CC)Cc1c(C)cccc1OC ZINC000876638467 590225073 /nfs/dbraw/zinc/22/50/73/590225073.db2.gz AZQHQBDQYYHXSD-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C#CC[N@H+](CC#CC)CC1CCSCC1 ZINC000876749566 590237308 /nfs/dbraw/zinc/23/73/08/590237308.db2.gz MLDBRDJANQNODI-UHFFFAOYSA-N 1 1 221.369 2.088 20 30 BEEDMO C#CCCCCCC[N@H+](CC)Cc1cn(C)nn1 ZINC000877192496 590299240 /nfs/dbraw/zinc/29/92/40/590299240.db2.gz MCONRZMLRDSBJD-UHFFFAOYSA-N 1 1 248.374 2.221 20 30 BEEDMO C#CCCCCCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000877424992 590325495 /nfs/dbraw/zinc/32/54/95/590325495.db2.gz VVMUTPRVFQBBRZ-AWEZNQCLSA-N 1 1 246.358 2.109 20 30 BEEDMO C#CCCCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000877472402 590334839 /nfs/dbraw/zinc/33/48/39/590334839.db2.gz SBECTOSRTOQRIL-CYBMUJFWSA-N 1 1 246.358 2.238 20 30 BEEDMO C#CCCCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000877472402 590334842 /nfs/dbraw/zinc/33/48/42/590334842.db2.gz SBECTOSRTOQRIL-CYBMUJFWSA-N 1 1 246.358 2.238 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000877480405 590337114 /nfs/dbraw/zinc/33/71/14/590337114.db2.gz UWHSMAMQGDPBCN-CABCVRRESA-N 1 1 242.366 2.466 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1N(C)C ZINC000877479318 590337287 /nfs/dbraw/zinc/33/72/87/590337287.db2.gz ARUXVCIBGYCXQU-NSHDSACASA-N 1 1 234.318 2.345 20 30 BEEDMO C#CCCCCCC[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877486469 590338890 /nfs/dbraw/zinc/33/88/90/590338890.db2.gz NUSFBPZOAJPEAJ-CYBMUJFWSA-N 1 1 223.360 2.273 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(OC)cccc1OC ZINC000877513016 590343526 /nfs/dbraw/zinc/34/35/26/590343526.db2.gz JAVJKMHDXXHZHJ-NSHDSACASA-N 1 1 233.311 2.205 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1nc2ccccc2o1 ZINC000877512895 590343991 /nfs/dbraw/zinc/34/39/91/590343991.db2.gz FIYNCKGEDUQGSY-JTQLQIEISA-N 1 1 214.268 2.329 20 30 BEEDMO C#CCCCCCC[N@H+](C)C[C@H](O)C1CC1 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CC[N@@H+](CCn1cccn1)C1CCC(C#N)CC1 ZINC001256970284 971048907 /nfs/dbraw/zinc/04/89/07/971048907.db2.gz WVVCASJGESWFCO-UHFFFAOYSA-N 1 1 246.358 2.287 20 30 BEEDMO C[C@]1(C#N)CC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256971190 971049130 /nfs/dbraw/zinc/04/91/30/971049130.db2.gz DHKUVJDCTOZAQB-WXRRBKDZSA-N 1 1 217.316 2.304 20 30 BEEDMO N#Cc1ccc(CCC[NH+]2CCC(=O)CC2)cc1 ZINC001208855995 1169509298 /nfs/dbraw/zinc/50/92/98/1169509298.db2.gz IHXKWFPEIAQUTJ-UHFFFAOYSA-N 1 1 242.322 2.156 20 30 BEEDMO C[N@@H+](CCCc1ccc(C#N)cc1)C1(C)COC1 ZINC001208862256 1169509052 /nfs/dbraw/zinc/50/90/52/1169509052.db2.gz FVROLDJKALCTMQ-UHFFFAOYSA-N 1 1 244.338 2.212 20 30 BEEDMO C[C@H](C#N)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307701051 971176023 /nfs/dbraw/zinc/17/60/23/971176023.db2.gz MPCYLQKUKZHDGR-VNHYZAJKSA-N 1 1 243.354 2.151 20 30 BEEDMO C=CCCCC[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405486020 971264716 /nfs/dbraw/zinc/26/47/16/971264716.db2.gz ODQKEWOWNPTHMQ-RYUDHWBXSA-N 1 1 208.349 2.202 20 30 BEEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@H](C)C#C ZINC000809683996 971277493 /nfs/dbraw/zinc/27/74/93/971277493.db2.gz VGDQWNMADQAMCZ-LLVKDONJSA-N 1 1 247.725 2.463 20 30 BEEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001131894627 971287631 /nfs/dbraw/zinc/28/76/31/971287631.db2.gz AJKDCRQQEFXYPO-CHWSQXEVSA-N 1 1 238.375 2.332 20 30 BEEDMO CC[C@@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001257447239 971363698 /nfs/dbraw/zinc/36/36/98/971363698.db2.gz CBTYUFHDYALFJM-LLVKDONJSA-N 1 1 230.311 2.420 20 30 BEEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CC)C1 ZINC001257448517 971366263 /nfs/dbraw/zinc/36/62/63/971366263.db2.gz UITHURJZJSHSIM-NEPJUHHUSA-N 1 1 240.347 2.162 20 30 BEEDMO CC(C)(C)[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001225243811 1169580625 /nfs/dbraw/zinc/58/06/25/1169580625.db2.gz ZHIIKXISUGHSAH-UHFFFAOYSA-N 1 1 230.311 2.420 20 30 BEEDMO C=CCCCCCO[C@@H]1C[NH2+]CC1(F)F ZINC001217844911 971439670 /nfs/dbraw/zinc/43/96/70/971439670.db2.gz QXBYKNXYUSLYFN-SNVBAGLBSA-N 1 1 219.275 2.357 20 30 BEEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257891750 971523323 /nfs/dbraw/zinc/52/33/23/971523323.db2.gz NZMLOQOXKFKKLX-PIGZVRMJSA-N 1 1 249.354 2.369 20 30 BEEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[C@H]3C(=O)O4)C[C@H](C1)C2 ZINC001257893917 971526707 /nfs/dbraw/zinc/52/67/07/971526707.db2.gz DGTJQPBTGBDUEA-AEBFUODCSA-N 1 1 247.338 2.121 20 30 BEEDMO CCCCCCC[C@@H](C)n1nnc(C[NH3+])n1 ZINC001258038996 971561533 /nfs/dbraw/zinc/56/15/33/971561533.db2.gz IQQGKPHNGXAMRG-SNVBAGLBSA-N 1 1 225.340 2.053 20 30 BEEDMO C=C1CC[NH2+]C[C@@H]1Oc1nc2ccc(C)cc2[nH]1 ZINC001218203895 971627926 /nfs/dbraw/zinc/62/79/26/971627926.db2.gz JSSMXBBSSXGKLU-ZDUSSCGKSA-N 1 1 243.310 2.168 20 30 BEEDMO C=CCc1ccccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218237654 971646799 /nfs/dbraw/zinc/64/67/99/971646799.db2.gz WXEOUHVRKDVGEK-LBPRGKRZSA-N 1 1 239.265 2.401 20 30 BEEDMO C=CCc1cccc(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218241367 971647710 /nfs/dbraw/zinc/64/77/10/971647710.db2.gz XSUZJNUCHDVBHT-LBPRGKRZSA-N 1 1 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228.295 2.248 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001233387554 1169688041 /nfs/dbraw/zinc/68/80/41/1169688041.db2.gz NIIJYYYTGRSVAR-WCQYABFASA-N 1 1 228.295 2.248 20 30 BEEDMO CC[C@H](C)OCC[C@@H](C)[N@@H+](C)CCC#N ZINC001172333939 974600174 /nfs/dbraw/zinc/60/01/74/974600174.db2.gz AXNFNHLERMGACO-NEPJUHHUSA-N 1 1 212.337 2.426 20 30 BEEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+](C)CCC#N ZINC001172333947 974601223 /nfs/dbraw/zinc/60/12/23/974601223.db2.gz AXNFNHLERMGACO-VXGBXAGGSA-N 1 1 212.337 2.426 20 30 BEEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001276801488 971976158 /nfs/dbraw/zinc/97/61/58/971976158.db2.gz PWTJKTQEIQLAFN-BWODNOAJSA-N 1 1 236.359 2.109 20 30 BEEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CC[C@@H](C#N)C1 ZINC001172353898 974624891 /nfs/dbraw/zinc/62/48/91/974624891.db2.gz PGXUSDGNDDDFHV-AGIUHOORSA-N 1 1 224.348 2.426 20 30 BEEDMO CCCNc1nc(NCCCS)[nH+]cc1C ZINC001170999739 972224939 /nfs/dbraw/zinc/22/49/39/972224939.db2.gz OWYHHDCHTXCDEE-UHFFFAOYSA-N 1 1 240.376 2.339 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)C[C@@H]1C ZINC000705269114 957029025 /nfs/dbraw/zinc/02/90/25/957029025.db2.gz WUVXPMVKLRGPHW-SWLSCSKDSA-N 1 1 244.338 2.212 20 30 BEEDMO CC1(C)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402122244 957058036 /nfs/dbraw/zinc/05/80/36/957058036.db2.gz BYCGCYHUOPFYQY-AWEZNQCLSA-N 1 1 244.338 2.466 20 30 BEEDMO C[N@@H+]1CC=C(Nc2c(C#N)cccc2C#N)CC1 ZINC001208838676 957180919 /nfs/dbraw/zinc/18/09/19/957180919.db2.gz RFJIJRLGLBHZCT-UHFFFAOYSA-N 1 1 238.294 2.061 20 30 BEEDMO CCOC1C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208844355 957185036 /nfs/dbraw/zinc/18/50/36/957185036.db2.gz HINRFKOSXQYYHU-UHFFFAOYSA-N 1 1 244.338 2.212 20 30 BEEDMO C=CC[N@H+](C)CCNC(=O)[C@@H](CC)CC(C)C ZINC001266347801 957321796 /nfs/dbraw/zinc/32/17/96/957321796.db2.gz RSJCTOGJQTWIAM-ZDUSSCGKSA-N 1 1 240.391 2.293 20 30 BEEDMO C#CCCC[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001209265741 957372404 /nfs/dbraw/zinc/37/24/04/957372404.db2.gz HDZVIWQFVFDIHG-OAHLLOKOSA-N 1 1 234.387 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C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693117665 957682157 /nfs/dbraw/zinc/68/21/57/957682157.db2.gz DQFMAEXGDURVAD-XQQFMLRXSA-N 1 1 223.360 2.434 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cccc2c1OCC2 ZINC000693175756 957798574 /nfs/dbraw/zinc/79/85/74/957798574.db2.gz RSAPISCFUVTEDB-UHFFFAOYSA-N 1 1 223.703 2.464 20 30 BEEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H](C)C1CC1 ZINC001266558278 957822644 /nfs/dbraw/zinc/82/26/44/957822644.db2.gz KINYOJLQNYYCRS-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OC)c(C)c2)C1 ZINC001137006129 972320256 /nfs/dbraw/zinc/32/02/56/972320256.db2.gz DZZQKTJHUCOESA-ZDUSSCGKSA-N 1 1 244.338 2.244 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187924550 958164383 /nfs/dbraw/zinc/16/43/83/958164383.db2.gz QQEHDCBOHKVBLB-KOLCDFICSA-N 1 1 217.740 2.222 20 30 BEEDMO C[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402182791 958183092 /nfs/dbraw/zinc/18/30/92/958183092.db2.gz DYNZZAASAANGTF-BYCMXARLSA-N 1 1 244.338 2.179 20 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N#C[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000310663109 959822000 /nfs/dbraw/zinc/82/20/00/959822000.db2.gz FGMRZNWOPFCQHR-UKRRQHHQSA-N 1 1 244.338 2.346 20 30 BEEDMO C=CCC[N@@H+](CC)CCNC(=O)CC(C)C ZINC001480959016 959835679 /nfs/dbraw/zinc/83/56/79/959835679.db2.gz IBVCFOGLLULZTN-UHFFFAOYSA-N 1 1 226.364 2.047 20 30 BEEDMO C=CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001481002619 959882433 /nfs/dbraw/zinc/88/24/33/959882433.db2.gz QXEJMQYFQNWACO-CHWSQXEVSA-N 1 1 238.375 2.047 20 30 BEEDMO N#C[C@@H]1CCCCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140807242 959888939 /nfs/dbraw/zinc/88/89/39/959888939.db2.gz RPUREGUWBHCHEX-LBPRGKRZSA-N 1 1 240.310 2.441 20 30 BEEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001481087536 960028948 /nfs/dbraw/zinc/02/89/48/960028948.db2.gz XFWFDKUPOFGVFV-CQSZACIVSA-N 1 1 248.370 2.111 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267731261 960249618 /nfs/dbraw/zinc/24/96/18/960249618.db2.gz VNVWEKYQCUKUSV-STQMWFEESA-N 1 1 238.375 2.045 20 30 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/nfs/dbraw/zinc/24/49/23/134244923.db2.gz DIZGKLOBJGMPSM-UHFFFAOYSA-N 1 1 236.363 2.373 20 30 BEEDMO C[N@@H+](CCCC#N)Cc1ccc2c(c1)OCO2 ZINC000053133686 358081348 /nfs/dbraw/zinc/08/13/48/358081348.db2.gz YDLCWJOFRZOMPD-UHFFFAOYSA-N 1 1 232.283 2.151 20 30 BEEDMO CCC(=O)CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000640030358 358121484 /nfs/dbraw/zinc/12/14/84/358121484.db2.gz SXHCZRRBXLUFRU-DGCLKSJQSA-N 1 1 222.332 2.370 20 30 BEEDMO CCC(=O)CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000640030358 358121487 /nfs/dbraw/zinc/12/14/87/358121487.db2.gz SXHCZRRBXLUFRU-DGCLKSJQSA-N 1 1 222.332 2.370 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640034710 358127327 /nfs/dbraw/zinc/12/73/27/358127327.db2.gz BBJZYSYCDLZEBA-STQMWFEESA-N 1 1 209.333 2.025 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@](O)(CC)C1 ZINC000640034707 358127685 /nfs/dbraw/zinc/12/76/85/358127685.db2.gz BBJZYSYCDLZEBA-CHWSQXEVSA-N 1 1 209.333 2.025 20 30 BEEDMO CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC000052071678 358145329 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/nfs/dbraw/zinc/24/65/76/202246576.db2.gz JITWYEADADPUTF-UHFFFAOYSA-N 1 1 216.288 2.004 20 30 BEEDMO C=CC[N@H+](C)CCCc1cc(CC)no1 ZINC000450754990 202254977 /nfs/dbraw/zinc/25/49/77/202254977.db2.gz DJUCBDXUURKYKF-UHFFFAOYSA-N 1 1 208.305 2.287 20 30 BEEDMO C=CCCc1noc(C[N@@H+](C)CCC)n1 ZINC000351130473 366420352 /nfs/dbraw/zinc/42/03/52/366420352.db2.gz JVNWKPOEVPNSSS-UHFFFAOYSA-N 1 1 209.293 2.030 20 30 BEEDMO C=CCCc1noc(C[N@H+](C)CCC)n1 ZINC000351130473 366420359 /nfs/dbraw/zinc/42/03/59/366420359.db2.gz JVNWKPOEVPNSSS-UHFFFAOYSA-N 1 1 209.293 2.030 20 30 BEEDMO Cc1c2ccccc2n(C)c1C[NH2+]CCC#N ZINC000227519052 358359695 /nfs/dbraw/zinc/35/96/95/358359695.db2.gz XRKLHBQXTDFFFY-UHFFFAOYSA-N 1 1 227.311 2.490 20 30 BEEDMO C[C@H](C#N)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000230686862 358409670 /nfs/dbraw/zinc/40/96/70/358409670.db2.gz VPISOMPAWRVTAF-SNVBAGLBSA-N 1 1 213.284 2.417 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)CCCOCC(F)(F)F ZINC000042324246 358521614 /nfs/dbraw/zinc/52/16/14/358521614.db2.gz 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1 229.327 2.250 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CCc2ccncc2)C1 ZINC000612159427 359707851 /nfs/dbraw/zinc/70/78/51/359707851.db2.gz BCKAMUZEGPCPEA-CQSZACIVSA-N 1 1 229.327 2.250 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+](CCCSCC#N)C1 ZINC000612160818 359711599 /nfs/dbraw/zinc/71/15/99/359711599.db2.gz MHHPSSCAHTYANS-GFCCVEGCSA-N 1 1 237.372 2.259 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CCCSCC#N)C1 ZINC000612160818 359711602 /nfs/dbraw/zinc/71/16/02/359711602.db2.gz MHHPSSCAHTYANS-GFCCVEGCSA-N 1 1 237.372 2.259 20 30 BEEDMO C=CCC[C@H](CO)Nc1cc[nH+]c2ccsc21 ZINC000450897435 202304066 /nfs/dbraw/zinc/30/40/66/202304066.db2.gz PTQOISPZJFRYGW-SNVBAGLBSA-N 1 1 248.351 2.457 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000514840124 259498147 /nfs/dbraw/zinc/49/81/47/259498147.db2.gz NAJDYVIVHWNTCO-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CC[N@@H+](C)CCOc1ccc(F)cc1 ZINC000057951643 359812044 /nfs/dbraw/zinc/81/20/44/359812044.db2.gz LSLCCEWXFPNRPA-UHFFFAOYSA-N 1 1 209.264 2.322 20 30 BEEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000612406780 359833740 /nfs/dbraw/zinc/83/37/40/359833740.db2.gz SYLFMLZHQOJXFG-MCIONIFRSA-N 1 1 236.359 2.427 20 30 BEEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCC(C)(C)C#N)[C@H]1[C@H]3C2 ZINC000352680034 366561692 /nfs/dbraw/zinc/56/16/92/366561692.db2.gz IWMZHLLMJGHUMX-HTVCTNPSSA-N 1 1 248.370 2.281 20 30 BEEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCCC#N)C1 ZINC000578435604 366566461 /nfs/dbraw/zinc/56/64/61/366566461.db2.gz JCIHLWIAWUUCRA-GFCCVEGCSA-N 1 1 223.364 2.000 20 30 BEEDMO CC(C)[N@@H+](CC1(C#N)CCC1)[C@H]1CCOC1 ZINC000451049158 202338631 /nfs/dbraw/zinc/33/86/31/202338631.db2.gz IHDKBVIBPCYWCR-LBPRGKRZSA-N 1 1 222.332 2.180 20 30 BEEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000087595259 359919539 /nfs/dbraw/zinc/91/95/39/359919539.db2.gz BNUGNWAQWZCELR-NWDGAFQWSA-N 1 1 224.348 2.426 20 30 BEEDMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451261541 202389921 /nfs/dbraw/zinc/38/99/21/202389921.db2.gz 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BEEDMO C=CCCC[N@H+](C)Cc1cc(C)ncn1 ZINC000428228492 206054492 /nfs/dbraw/zinc/05/44/92/206054492.db2.gz CDOOYWMISKIUHK-UHFFFAOYSA-N 1 1 205.305 2.183 20 30 BEEDMO C=C(CC)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000429525843 206061161 /nfs/dbraw/zinc/06/11/61/206061161.db2.gz FLIPDDGMARAKFO-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456984743 206119802 /nfs/dbraw/zinc/11/98/02/206119802.db2.gz IBQANIXYCQWYFL-AWEZNQCLSA-N 1 1 244.338 2.126 20 30 BEEDMO CN(C)CC(C)(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000459544699 206134261 /nfs/dbraw/zinc/13/42/61/206134261.db2.gz FCYCNDXDBKUECM-UHFFFAOYSA-N 1 1 248.345 2.107 20 30 BEEDMO OC1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000267402237 183028579 /nfs/dbraw/zinc/02/85/79/183028579.db2.gz PQQFZXJHBAQJGW-UHFFFAOYSA-N 1 1 249.741 2.148 20 30 BEEDMO OC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000151225272 183122929 /nfs/dbraw/zinc/12/29/29/183122929.db2.gz ZFSSRCTXDULCJU-CYBMUJFWSA-N 1 1 249.741 2.006 20 30 BEEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000290930375 169125914 /nfs/dbraw/zinc/12/59/14/169125914.db2.gz YUCZOHJAILCBMW-GFCCVEGCSA-N 1 1 246.358 2.486 20 30 BEEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)O ZINC000192968498 169175237 /nfs/dbraw/zinc/17/52/37/169175237.db2.gz CFVONAVHNYVAPY-GFCCVEGCSA-N 1 1 232.327 2.151 20 30 BEEDMO CCC[N@H+]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000353131128 169196295 /nfs/dbraw/zinc/19/62/95/169196295.db2.gz ASLJJUSWGQXWEQ-GFCCVEGCSA-N 1 1 247.342 2.115 20 30 BEEDMO CCCN1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000353131128 169196297 /nfs/dbraw/zinc/19/62/97/169196297.db2.gz ASLJJUSWGQXWEQ-GFCCVEGCSA-N 1 1 247.342 2.115 20 30 BEEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccns1 ZINC001644059370 1172521935 /nfs/dbraw/zinc/52/19/35/1172521935.db2.gz VTBLVTOYLXFFFS-SECBINFHSA-N 1 1 244.323 2.261 20 30 BEEDMO CCC[C@@H](C)C[N@H+](CCC#N)CCOC ZINC000070846130 169357674 /nfs/dbraw/zinc/35/76/74/169357674.db2.gz KKXGHFOESDMGPB-GFCCVEGCSA-N 1 1 212.337 2.285 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001644370634 1172550736 /nfs/dbraw/zinc/55/07/36/1172550736.db2.gz BKXSBOQOPPPXLZ-OLZOCXBDSA-N 1 1 244.342 2.348 20 30 BEEDMO C#CC[C@H]1CC[N@H+](CCN(C)c2ccccc2)C1 ZINC001644470286 1172562405 /nfs/dbraw/zinc/56/24/05/1172562405.db2.gz WJTMERCCDFWAFB-HNNXBMFYSA-N 1 1 242.366 2.468 20 30 BEEDMO C#CC[N@@H+](CC#CC)C[C@@H]1CCC2(CCC2)CO1 ZINC001644702113 1172598890 /nfs/dbraw/zinc/59/88/90/1172598890.db2.gz UVMFFJDCOVEZLP-HNNXBMFYSA-N 1 1 245.366 2.294 20 30 BEEDMO C#CC[N@H+](CC#CC)C[C@@H]1CCC2(CCC2)CO1 ZINC001644702113 1172598893 /nfs/dbraw/zinc/59/88/93/1172598893.db2.gz UVMFFJDCOVEZLP-HNNXBMFYSA-N 1 1 245.366 2.294 20 30 BEEDMO C=C(Cn1cc[nH+]c1C(C)C)C(=O)OCC ZINC000069907316 383850929 /nfs/dbraw/zinc/85/09/29/383850929.db2.gz NJQXIASCZHVWMF-UHFFFAOYSA-N 1 1 222.288 2.126 20 30 BEEDMO C[N@@H+](CCc1ccncc1)CCC(C)(C)C#N ZINC000087595205 383851045 /nfs/dbraw/zinc/85/10/45/383851045.db2.gz DLIAVFIUQVXEJL-UHFFFAOYSA-N 1 1 231.343 2.496 20 30 BEEDMO Cn1ccnc1C[N@H+](C)CCCC(C)(C)C#N ZINC000087608717 383853437 /nfs/dbraw/zinc/85/34/37/383853437.db2.gz LKPZUZVHJYZZES-UHFFFAOYSA-N 1 1 234.347 2.182 20 30 BEEDMO Cn1ccnc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608717 383853441 /nfs/dbraw/zinc/85/34/41/383853441.db2.gz LKPZUZVHJYZZES-UHFFFAOYSA-N 1 1 234.347 2.182 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCOC1 ZINC000334427140 383876899 /nfs/dbraw/zinc/87/68/99/383876899.db2.gz ZSYMANPFCWNWGH-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO CC(C)[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000283660339 383877733 /nfs/dbraw/zinc/87/77/33/383877733.db2.gz BTBQRZBACXASEK-AWEZNQCLSA-N 1 1 232.327 2.007 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)cc1 ZINC000036679097 383908151 /nfs/dbraw/zinc/90/81/51/383908151.db2.gz WRUZCDUWZRVLPF-LBPRGKRZSA-N 1 1 218.300 2.477 20 30 BEEDMO CCCC(N)=[NH+]OCc1nc(C)cs1 ZINC000088520368 383909078 /nfs/dbraw/zinc/90/90/78/383909078.db2.gz VMTPKDFLXBUYEC-UHFFFAOYSA-N 1 1 213.306 2.040 20 30 BEEDMO CC[C@H](CSC)[N@@H+](C)CCCC#N ZINC000091097200 383925995 /nfs/dbraw/zinc/92/59/95/383925995.db2.gz UQUFOENMAGZIKP-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO COc1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000088162081 383883313 /nfs/dbraw/zinc/88/33/13/383883313.db2.gz IQVFVBCKOMIDCQ-SNVBAGLBSA-N 1 1 204.273 2.259 20 30 BEEDMO C=CC[N@@H+](CC(=O)N(C)CC)Cc1ccccc1 ZINC000298442547 383897829 /nfs/dbraw/zinc/89/78/29/383897829.db2.gz DBBFJPTYAVRPOK-UHFFFAOYSA-N 1 1 246.354 2.153 20 30 BEEDMO C=CC[N@H+](CC(=O)N(C)CC)Cc1ccccc1 ZINC000298442547 383897834 /nfs/dbraw/zinc/89/78/34/383897834.db2.gz DBBFJPTYAVRPOK-UHFFFAOYSA-N 1 1 246.354 2.153 20 30 BEEDMO C=CCCCC[N@H+](C)CCN1CCCC1 ZINC000560218277 383979557 /nfs/dbraw/zinc/97/95/57/383979557.db2.gz SAVDJSOLBDRGCO-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C=CCCCCN(C)CC[NH+]1CCCC1 ZINC000560218277 383979563 /nfs/dbraw/zinc/97/95/63/383979563.db2.gz SAVDJSOLBDRGCO-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000336156487 383941852 /nfs/dbraw/zinc/94/18/52/383941852.db2.gz QLIDJYJSQMOCMG-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCCOC1 ZINC000336156487 383941855 /nfs/dbraw/zinc/94/18/55/383941855.db2.gz QLIDJYJSQMOCMG-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H](O)c1ccccc1Cl ZINC000299177467 384122556 /nfs/dbraw/zinc/12/25/56/384122556.db2.gz YZMNUCOBBMKPDR-CYBMUJFWSA-N 1 1 237.730 2.329 20 30 BEEDMO C=CC1CC[NH+](Cc2nnc(CC)s2)CC1 ZINC000680052674 487528584 /nfs/dbraw/zinc/52/85/84/487528584.db2.gz JMPUUFIWKJQCPK-UHFFFAOYSA-N 1 1 237.372 2.499 20 30 BEEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000560618681 384158225 /nfs/dbraw/zinc/15/82/25/384158225.db2.gz KERZVPAZLXODAE-OAHLLOKOSA-N 1 1 243.354 2.084 20 30 BEEDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000560618681 384158241 /nfs/dbraw/zinc/15/82/41/384158241.db2.gz KERZVPAZLXODAE-OAHLLOKOSA-N 1 1 243.354 2.084 20 30 BEEDMO C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000300120852 384171886 /nfs/dbraw/zinc/17/18/86/384171886.db2.gz QDQWIMYQBIUZQS-QWHCGFSZSA-N 1 1 238.375 2.409 20 30 BEEDMO CCCC(N)=[NH+]OCc1cccc(C#N)c1 ZINC000092314558 384173088 /nfs/dbraw/zinc/17/30/88/384173088.db2.gz LQYYKSAKPGAAIV-UHFFFAOYSA-N 1 1 217.272 2.147 20 30 BEEDMO COc1cc(C[NH+]2CCSCC2)ccc1C#N ZINC000234990875 384169699 /nfs/dbraw/zinc/16/96/99/384169699.db2.gz XHQYKMVXOYGXPW-UHFFFAOYSA-N 1 1 248.351 2.116 20 30 BEEDMO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000070074540 384232013 /nfs/dbraw/zinc/23/20/13/384232013.db2.gz UWIAXGLPDNVAJN-SWLSCSKDSA-N 1 1 243.354 2.117 20 30 BEEDMO C[N@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000336515617 384232584 /nfs/dbraw/zinc/23/25/84/384232584.db2.gz SSKVCXSUWWYMON-UHFFFAOYSA-N 1 1 204.248 2.292 20 30 BEEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000336515617 384232587 /nfs/dbraw/zinc/23/25/87/384232587.db2.gz SSKVCXSUWWYMON-UHFFFAOYSA-N 1 1 204.248 2.292 20 30 BEEDMO CC(C)[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336328288 384212472 /nfs/dbraw/zinc/21/24/72/384212472.db2.gz LDGMXHOBDHEEKZ-SNVBAGLBSA-N 1 1 235.356 2.493 20 30 BEEDMO CC(C)[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336328288 384212474 /nfs/dbraw/zinc/21/24/74/384212474.db2.gz LDGMXHOBDHEEKZ-SNVBAGLBSA-N 1 1 235.356 2.493 20 30 BEEDMO CO[C@H]1CC[N@@H+](CCCCC#N)[C@H](C)C1 ZINC000308773122 384249329 /nfs/dbraw/zinc/24/93/29/384249329.db2.gz YFFDIEAWGVAITG-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H](C[NH2+]Cc1nc(C#N)cs1)C(F)(F)F ZINC000336739137 384262203 /nfs/dbraw/zinc/26/22/03/384262203.db2.gz KXCNWSCAZIPPPX-LURJTMIESA-N 1 1 249.261 2.303 20 30 BEEDMO N#Cc1csc(C[NH2+]CCC(F)(F)F)n1 ZINC000336738552 384262906 /nfs/dbraw/zinc/26/29/06/384262906.db2.gz RIGXVEFYDUSFML-UHFFFAOYSA-N 1 1 235.234 2.057 20 30 BEEDMO CC[C@H](C)[N@@H+](C)CCCSCC#N ZINC000174134633 384305221 /nfs/dbraw/zinc/30/52/21/384305221.db2.gz CXEXPDOFHGSDBS-JTQLQIEISA-N 1 1 200.351 2.364 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cnc2cnccn12 ZINC000158993503 384313662 /nfs/dbraw/zinc/31/36/62/384313662.db2.gz HMVPQMOOOPDTCT-UHFFFAOYSA-N 1 1 230.315 2.127 20 30 BEEDMO Cc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1C#N ZINC000335406109 384282793 /nfs/dbraw/zinc/28/27/93/384282793.db2.gz HMRWMWXXRUUNMA-ZDUSSCGKSA-N 1 1 218.275 2.411 20 30 BEEDMO Cc1cc(C[N@H+]2CC[C@H](F)C2)ccc1C#N ZINC000335406109 384282798 /nfs/dbraw/zinc/28/27/98/384282798.db2.gz HMRWMWXXRUUNMA-ZDUSSCGKSA-N 1 1 218.275 2.411 20 30 BEEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)o1 ZINC000289802823 384300391 /nfs/dbraw/zinc/30/03/91/384300391.db2.gz KZXQINVTKNDNOB-GFCCVEGCSA-N 1 1 249.358 2.361 20 30 BEEDMO CC[N@H+](CCNCc1cc(C#N)cs1)C1CC1 ZINC000177694368 384344945 /nfs/dbraw/zinc/34/49/45/384344945.db2.gz OAMVWMMJOQLVKU-UHFFFAOYSA-N 1 1 249.383 2.194 20 30 BEEDMO CC[N@@H+](CCNCc1cc(C#N)cs1)C1CC1 ZINC000177694368 384344949 /nfs/dbraw/zinc/34/49/49/384344949.db2.gz OAMVWMMJOQLVKU-UHFFFAOYSA-N 1 1 249.383 2.194 20 30 BEEDMO C=CCC[NH2+]C(C)(C)c1noc(CC)n1 ZINC000330363878 384365188 /nfs/dbraw/zinc/36/51/88/384365188.db2.gz XDMVXOQXCOVIAT-UHFFFAOYSA-N 1 1 209.293 2.033 20 30 BEEDMO C=CC[N@H+](C[C@@H](O)CCC(C)C)C1CC1 ZINC000361302884 384367561 /nfs/dbraw/zinc/36/75/61/384367561.db2.gz AAOBSGPYKGLTIF-ZDUSSCGKSA-N 1 1 211.349 2.434 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000490743019 384372509 /nfs/dbraw/zinc/37/25/09/384372509.db2.gz ZVGOYTYLCVNSHQ-OAHLLOKOSA-N 1 1 231.339 2.292 20 30 BEEDMO Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)[nH+]c1 ZINC000335602326 384377758 /nfs/dbraw/zinc/37/77/58/384377758.db2.gz RXGMEAAAYOZCBF-WDEREUQCSA-N 1 1 201.273 2.494 20 30 BEEDMO Cc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1C#N ZINC000335863221 384383357 /nfs/dbraw/zinc/38/33/57/384383357.db2.gz CEEOCFPOTDAOJO-AWEZNQCLSA-N 1 1 230.311 2.087 20 30 BEEDMO C#CC[N@@H+](CC)CCOCCOc1ccccc1 ZINC000490779459 384387086 /nfs/dbraw/zinc/38/70/86/384387086.db2.gz WMSMZXJKERTVOF-UHFFFAOYSA-N 1 1 247.338 2.037 20 30 BEEDMO CC#CC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000159623101 384457385 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387490507 /nfs/dbraw/zinc/49/05/07/387490507.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000274799377 387490510 /nfs/dbraw/zinc/49/05/10/387490510.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000274799377 387490515 /nfs/dbraw/zinc/49/05/15/387490515.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000274799377 387490517 /nfs/dbraw/zinc/49/05/17/387490517.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000274799377 387490524 /nfs/dbraw/zinc/49/05/24/387490524.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H]1O ZINC000270220041 387589532 /nfs/dbraw/zinc/58/95/32/387589532.db2.gz YZVLNFAABWWRRS-HUUCEWRRSA-N 1 1 244.338 2.151 20 30 BEEDMO CCOc1cccc(C[NH+]2CCC(C#N)CC2)n1 ZINC000123717513 387592696 /nfs/dbraw/zinc/59/26/96/387592696.db2.gz SLJRSQVLKUSWIF-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430276145 387604594 /nfs/dbraw/zinc/60/45/94/387604594.db2.gz LOVNJMZYNIDQRJ-CYBMUJFWSA-N 1 1 248.370 2.085 20 30 BEEDMO C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C[NH+](C)C ZINC000293730142 387553505 /nfs/dbraw/zinc/55/35/05/387553505.db2.gz PZZZNSWPXSMWIK-STQMWFEESA-N 1 1 245.370 2.407 20 30 BEEDMO C=C(C)C[N@@H+](CC(=O)NCC)Cc1ccccc1 ZINC000279268566 387562913 /nfs/dbraw/zinc/56/29/13/387562913.db2.gz IXSNKGDZWWZVIR-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO C=C(C)C[N@H+](CC(=O)NCC)Cc1ccccc1 ZINC000279268566 387562917 /nfs/dbraw/zinc/56/29/17/387562917.db2.gz IXSNKGDZWWZVIR-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO CC#CCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619029 387639510 /nfs/dbraw/zinc/63/95/10/387639510.db2.gz HUWKBARXIIFUSF-UHFFFAOYSA-N 1 1 243.354 2.372 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](COC)CC1 ZINC000452073260 387724770 /nfs/dbraw/zinc/72/47/70/387724770.db2.gz ASKNMODVRGHXRV-UONOGXRCSA-N 1 1 241.375 2.062 20 30 BEEDMO COC[C@H]1CCC[N@@H+](CC2(C#N)CC2)CC1 ZINC000452107148 387737205 /nfs/dbraw/zinc/73/72/05/387737205.db2.gz SATRGGQUKYUMKS-LBPRGKRZSA-N 1 1 222.332 2.039 20 30 BEEDMO CC(C)[N@H+]1CC[C@H](N(C)CCC(C)(C)C#N)C1 ZINC000452114605 387739972 /nfs/dbraw/zinc/73/99/72/387739972.db2.gz KOKRKJOHTUBHAS-ZDUSSCGKSA-N 1 1 237.391 2.341 20 30 BEEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000294468504 387795450 /nfs/dbraw/zinc/79/54/50/387795450.db2.gz VJZYARBQJSZXDD-CYBMUJFWSA-N 1 1 232.352 2.496 20 30 BEEDMO N#CCCCC[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000422972090 387820911 /nfs/dbraw/zinc/82/09/11/387820911.db2.gz KPMWAEGQULRLAC-KBPBESRZSA-N 1 1 229.327 2.415 20 30 BEEDMO CC#CC[C@@H](CO)Nc1[nH+]ccc2ccccc21 ZINC000528045423 387837156 /nfs/dbraw/zinc/83/71/56/387837156.db2.gz YQUXAKGEBXKZOG-ZDUSSCGKSA-N 1 1 240.306 2.421 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000442792980 387840991 /nfs/dbraw/zinc/84/09/91/387840991.db2.gz AILOPUUSGWVHHE-YRGRVCCFSA-N 1 1 238.375 2.140 20 30 BEEDMO C=C(C)C[N@@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442831547 387848521 /nfs/dbraw/zinc/84/85/21/387848521.db2.gz WOFAWDWAGYRJKR-UHFFFAOYSA-N 1 1 233.237 2.436 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442831547 387848524 /nfs/dbraw/zinc/84/85/24/387848524.db2.gz WOFAWDWAGYRJKR-UHFFFAOYSA-N 1 1 233.237 2.436 20 30 BEEDMO CN(C)CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442836461 387848620 /nfs/dbraw/zinc/84/86/20/387848620.db2.gz HTWBSKXJISOODI-UONOGXRCSA-N 1 1 249.402 2.390 20 30 BEEDMO C=CCn1cc(C[NH2+]Cc2ccc(C)s2)nn1 ZINC000424167097 387853856 /nfs/dbraw/zinc/85/38/56/387853856.db2.gz BVBBIBPIDOJWHN-UHFFFAOYSA-N 1 1 248.355 2.124 20 30 BEEDMO C=CC[N@H+]1CCc2cccc(OC)c2CC1 ZINC000193717794 387861215 /nfs/dbraw/zinc/86/12/15/387861215.db2.gz FLUGLEQCUPIVNJ-UHFFFAOYSA-N 1 1 217.312 2.282 20 30 BEEDMO C[C@@H]([NH2+]CCCCC(C)(C)C#N)c1ncn(C)n1 ZINC000392125602 387818072 /nfs/dbraw/zinc/81/80/72/387818072.db2.gz WPMPXODBYLBZFA-LLVKDONJSA-N 1 1 249.362 2.186 20 30 BEEDMO CCCc1[nH+]ccn1CCCSCC#N ZINC000158099506 387897048 /nfs/dbraw/zinc/89/70/48/387897048.db2.gz WCZRRIHSORCJHS-UHFFFAOYSA-N 1 1 223.345 2.482 20 30 BEEDMO C=C(C)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000452724252 387899340 /nfs/dbraw/zinc/89/93/40/387899340.db2.gz QCIWYKFZVNABGV-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO C=C(C)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC000452724252 387899345 /nfs/dbraw/zinc/89/93/45/387899345.db2.gz QCIWYKFZVNABGV-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000452775402 387915940 /nfs/dbraw/zinc/91/59/40/387915940.db2.gz OETNVBNUNGYGFO-RYUDHWBXSA-N 1 1 238.375 2.045 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC(=O)C[C@H]1C ZINC001172492166 974839925 /nfs/dbraw/zinc/83/99/25/974839925.db2.gz JDCSUDOGXSFBPQ-WDEREUQCSA-N 1 1 208.305 2.122 20 30 BEEDMO CC#CC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245467607 387948016 /nfs/dbraw/zinc/94/80/16/387948016.db2.gz KBVOFIKKXIRVPB-SJKOYZFVSA-N 1 1 249.379 2.440 20 30 BEEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245467607 387948022 /nfs/dbraw/zinc/94/80/22/387948022.db2.gz KBVOFIKKXIRVPB-SJKOYZFVSA-N 1 1 249.379 2.440 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172492150 974840088 /nfs/dbraw/zinc/84/00/88/974840088.db2.gz JBAQGTOHYBRKBY-QWRGUYRKSA-N 1 1 246.301 2.018 20 30 BEEDMO C=CC[N@H+](CC[C@H](C)O)Cc1ccccc1 ZINC000438991631 387967394 /nfs/dbraw/zinc/96/73/94/387967394.db2.gz DCDRLORSETVEIY-ZDUSSCGKSA-N 1 1 219.328 2.446 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245913792 387993968 /nfs/dbraw/zinc/99/39/68/387993968.db2.gz RQTZTWASIBYZLM-RYUDHWBXSA-N 1 1 227.373 2.159 20 30 BEEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424374484 387998927 /nfs/dbraw/zinc/99/89/27/387998927.db2.gz LFNGDFFOUOYEQE-WUHRBBMRSA-N 1 1 210.365 2.447 20 30 BEEDMO CSCCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000439472371 387999892 /nfs/dbraw/zinc/99/98/92/387999892.db2.gz SREBQPOHMXBSGZ-LLVKDONJSA-N 1 1 225.361 2.115 20 30 BEEDMO CSCCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000439472372 388001118 /nfs/dbraw/zinc/00/11/18/388001118.db2.gz SREBQPOHMXBSGZ-NSHDSACASA-N 1 1 225.361 2.115 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000246074066 388006582 /nfs/dbraw/zinc/00/65/82/388006582.db2.gz ZTHPDKCJXLIUBW-AVGNSLFASA-N 1 1 211.349 2.291 20 30 BEEDMO C=CCCCC[C@@H](C)NC[C@H]1CCC[NH2+]1 ZINC000423240427 388024138 /nfs/dbraw/zinc/02/41/38/388024138.db2.gz TYMUMHWGFVKPGJ-CHWSQXEVSA-N 1 1 210.365 2.463 20 30 BEEDMO C=C(CC)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000453344650 388050817 /nfs/dbraw/zinc/05/08/17/388050817.db2.gz DXRXJTLNMGWCKF-MGPQQGTHSA-N 1 1 222.376 2.415 20 30 BEEDMO CCC[C@@]1(COC)CCC[N@H+]1CCC#N ZINC000447405207 388071070 /nfs/dbraw/zinc/07/10/70/388071070.db2.gz WUMMBXPXGUPPCJ-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO CCC([NH3+])(CC)CN[C@H]1CCC[C@@H](C#N)C1 ZINC000423286361 388071562 /nfs/dbraw/zinc/07/15/62/388071562.db2.gz GUADZDIRPWJUNT-NEPJUHHUSA-N 1 1 223.364 2.176 20 30 BEEDMO N#CCCCCn1c[nH+]c2c1CCCC2 ZINC000160706507 388085542 /nfs/dbraw/zinc/08/55/42/388085542.db2.gz SRYDFSANJWAKDX-UHFFFAOYSA-N 1 1 203.289 2.456 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000080643123 388096799 /nfs/dbraw/zinc/09/67/99/388096799.db2.gz VPZKSFKZHWNWMP-QWHCGFSZSA-N 1 1 238.375 2.045 20 30 BEEDMO C=C(CC)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447848801 388096927 /nfs/dbraw/zinc/09/69/27/388096927.db2.gz NBKZAAZGVSEHDI-MELADBBJSA-N 1 1 239.359 2.221 20 30 BEEDMO CC(C)(C)[C@@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000447837267 388096991 /nfs/dbraw/zinc/09/69/91/388096991.db2.gz SXEQCHBVDJWZIP-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO N#CCCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000160968616 388106611 /nfs/dbraw/zinc/10/66/11/388106611.db2.gz GIXDJWHTFUKDMD-GFCCVEGCSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+]CC(F)(F)CO ZINC000449247518 388157138 /nfs/dbraw/zinc/15/71/38/388157138.db2.gz GVLWEAHVBDHJOI-SNVBAGLBSA-N 1 1 221.291 2.339 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000249399899 388119171 /nfs/dbraw/zinc/11/91/71/388119171.db2.gz UUWPFPTVVKNILC-TYNCELHUSA-N 1 1 244.338 2.322 20 30 BEEDMO CC1=CC[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000590605248 388127213 /nfs/dbraw/zinc/12/72/13/388127213.db2.gz GGGXOPDBKOPEDX-UHFFFAOYSA-N 1 1 213.284 2.105 20 30 BEEDMO CC1=CC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000590605248 388127217 /nfs/dbraw/zinc/12/72/17/388127217.db2.gz GGGXOPDBKOPEDX-UHFFFAOYSA-N 1 1 213.284 2.105 20 30 BEEDMO C=CCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449661789 388249699 /nfs/dbraw/zinc/24/96/99/388249699.db2.gz JIIAIVQWEDSAEJ-QWRGUYRKSA-N 1 1 213.321 2.271 20 30 BEEDMO C#CC[N@H+](Cc1ccnc(OC)c1)C1CCCC1 ZINC000490892641 388257988 /nfs/dbraw/zinc/25/79/88/388257988.db2.gz NQQJMQIIFQELSH-UHFFFAOYSA-N 1 1 244.338 2.468 20 30 BEEDMO C#CC[N@@H+](CC1(C#N)CC1)C1CCCC1 ZINC000490897763 388258759 /nfs/dbraw/zinc/25/87/59/388258759.db2.gz FIKVNJFUJWBQAO-UHFFFAOYSA-N 1 1 202.301 2.168 20 30 BEEDMO C=CCCCCC[N@@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000489037048 388203173 /nfs/dbraw/zinc/20/31/73/388203173.db2.gz HZNFHIDBPAZKJS-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000489392645 388210879 /nfs/dbraw/zinc/21/08/79/388210879.db2.gz AVVRHTHVCWKMSF-CYBMUJFWSA-N 1 1 219.332 2.314 20 30 BEEDMO C[N@@H+](CCCSCC#N)[C@H]1CC1(C)C ZINC000489411360 388211351 /nfs/dbraw/zinc/21/13/51/388211351.db2.gz IQGJQNHWOSKFOG-JTQLQIEISA-N 1 1 212.362 2.364 20 30 BEEDMO C=C[C@H]1CCCCN1Cc1n[nH]c(C2CC2)n1 ZINC000489431907 388213778 /nfs/dbraw/zinc/21/37/78/388213778.db2.gz QSMGJBGQXJPPQF-NSHDSACASA-N 1 1 232.331 2.223 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCCCCC ZINC000489444640 388214501 /nfs/dbraw/zinc/21/45/01/388214501.db2.gz DXOHGAHNZCYREB-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC000489449107 388215370 /nfs/dbraw/zinc/21/53/70/388215370.db2.gz NMYHFQWUHBCVGB-CQSZACIVSA-N 1 1 244.338 2.326 20 30 BEEDMO C=CCCC[N@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000489467703 388215744 /nfs/dbraw/zinc/21/57/44/388215744.db2.gz VRJBZKXPTGZTNH-QWHCGFSZSA-N 1 1 227.348 2.078 20 30 BEEDMO C=CCCC[N@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000489467701 388216367 /nfs/dbraw/zinc/21/63/67/388216367.db2.gz VRJBZKXPTGZTNH-CHWSQXEVSA-N 1 1 227.348 2.078 20 30 BEEDMO C=CCCCC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000517855244 256553486 /nfs/dbraw/zinc/55/34/86/256553486.db2.gz DOBKHJALZXNCDU-DOMZBBRYSA-N 1 1 229.389 2.043 20 30 BEEDMO C=C(CC)C[N@@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000489470571 388217375 /nfs/dbraw/zinc/21/73/75/388217375.db2.gz GBSUHAWUZPFRKL-OLZOCXBDSA-N 1 1 227.348 2.078 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)CCOC(C)C ZINC000489500646 388219266 /nfs/dbraw/zinc/21/92/66/388219266.db2.gz SSXBLPKHDRWFJM-UONOGXRCSA-N 1 1 241.375 2.203 20 30 BEEDMO C#CC[N@H+](Cc1c(C)n[nH]c1C)C1CCCC1 ZINC000490900404 388259562 /nfs/dbraw/zinc/25/95/62/388259562.db2.gz VKEHFEFCPZRPBE-UHFFFAOYSA-N 1 1 231.343 2.404 20 30 BEEDMO C#CC[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000490593935 388241439 /nfs/dbraw/zinc/24/14/39/388241439.db2.gz GVFPHKSQZBXNQG-CYBMUJFWSA-N 1 1 217.312 2.329 20 30 BEEDMO C#CC[N@H+](CC)C1CC(OC(C)(C)C)C1 ZINC000491264355 388281209 /nfs/dbraw/zinc/28/12/09/388281209.db2.gz GFCMAGSJIBQRSH-UHFFFAOYSA-N 1 1 209.333 2.288 20 30 BEEDMO CC#CCC[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451556195 388281291 /nfs/dbraw/zinc/28/12/91/388281291.db2.gz KSYPZTDUHXPBOG-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000491286406 388282334 /nfs/dbraw/zinc/28/23/34/388282334.db2.gz IIMHRNVWURMGNE-NSHDSACASA-N 1 1 227.311 2.096 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccccc1 ZINC000491316438 388284751 /nfs/dbraw/zinc/28/47/51/388284751.db2.gz VQPFPQUSYJPDMM-UHFFFAOYSA-N 1 1 217.312 2.409 20 30 BEEDMO CC#CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621380 388284840 /nfs/dbraw/zinc/28/48/40/388284840.db2.gz VRISUYMONSRCQA-KGLIPLIRSA-N 1 1 233.355 2.291 20 30 BEEDMO C#CC[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491361365 388286295 /nfs/dbraw/zinc/28/62/95/388286295.db2.gz KYGVXHYLWGFBAL-LBPRGKRZSA-N 1 1 241.693 2.078 20 30 BEEDMO CC#CCC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645899 388287608 /nfs/dbraw/zinc/28/76/08/388287608.db2.gz GNGRVGZIGRKPBT-UHFFFAOYSA-N 1 1 245.322 2.303 20 30 BEEDMO CC#CCC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000451645899 388287610 /nfs/dbraw/zinc/28/76/10/388287610.db2.gz GNGRVGZIGRKPBT-UHFFFAOYSA-N 1 1 245.322 2.303 20 30 BEEDMO N#CCCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451646957 388288134 /nfs/dbraw/zinc/28/81/34/388288134.db2.gz LEYPGLOYOVZHLM-NSHDSACASA-N 1 1 210.346 2.118 20 30 BEEDMO C#CC[N@@H+](CC)Cc1oc(CC)nc1C ZINC000491361793 388288232 /nfs/dbraw/zinc/28/82/32/388288232.db2.gz NPDBRCAVEJDESR-UHFFFAOYSA-N 1 1 206.289 2.001 20 30 BEEDMO C#CC[N@H+](CC)Cc1oc(CC)nc1C ZINC000491361793 388288233 /nfs/dbraw/zinc/28/82/33/388288233.db2.gz NPDBRCAVEJDESR-UHFFFAOYSA-N 1 1 206.289 2.001 20 30 BEEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C)c(C)o1 ZINC000451675391 388289224 /nfs/dbraw/zinc/28/92/24/388289224.db2.gz PTGHSULRWYMFJY-NEPJUHHUSA-N 1 1 236.315 2.115 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000491374657 388289539 /nfs/dbraw/zinc/28/95/39/388289539.db2.gz RXYJLAJTPQOXJZ-JTQLQIEISA-N 1 1 248.282 2.057 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000491374657 388289541 /nfs/dbraw/zinc/28/95/41/388289541.db2.gz RXYJLAJTPQOXJZ-JTQLQIEISA-N 1 1 248.282 2.057 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCN(C)c1ccccc1 ZINC000491375586 388290011 /nfs/dbraw/zinc/29/00/11/388290011.db2.gz WQXQUJBKGWVCBO-ZDUSSCGKSA-N 1 1 216.328 2.076 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000491438961 388294846 /nfs/dbraw/zinc/29/48/46/388294846.db2.gz HDSCNFVFLUOYPC-GWCFXTLKSA-N 1 1 237.730 2.327 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1oc(CCC)nc1C ZINC000491442135 388295316 /nfs/dbraw/zinc/29/53/16/388295316.db2.gz ZXCKSGJDTPIJDS-JTQLQIEISA-N 1 1 220.316 2.389 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1oc(CCC)nc1C ZINC000491442135 388295317 /nfs/dbraw/zinc/29/53/17/388295317.db2.gz ZXCKSGJDTPIJDS-JTQLQIEISA-N 1 1 220.316 2.389 20 30 BEEDMO C[N@@H+](CCCCC#N)[C@H](CO)CC(C)(C)C ZINC000451781176 388295590 /nfs/dbraw/zinc/29/55/90/388295590.db2.gz OPDNGVIXYZNLJS-LBPRGKRZSA-N 1 1 226.364 2.409 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000491454191 388295926 /nfs/dbraw/zinc/29/59/26/388295926.db2.gz WRYKMQGXGSEEBC-UHFFFAOYSA-N 1 1 239.322 2.331 20 30 BEEDMO C#CC[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000491466005 388296630 /nfs/dbraw/zinc/29/66/30/388296630.db2.gz YRDBAMBVFHQUAF-ZFWWWQNUSA-N 1 1 235.371 2.415 20 30 BEEDMO C[N@@H+](CC1(C#N)CC1)[C@H](CO)CC(C)(C)C ZINC000451788414 388296894 /nfs/dbraw/zinc/29/68/94/388296894.db2.gz KWFHOJNDGDDAMS-NSHDSACASA-N 1 1 224.348 2.019 20 30 BEEDMO C#CC[N@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000491475712 388297618 /nfs/dbraw/zinc/29/76/18/388297618.db2.gz ZFQPLSMREBGJJI-TZMCWYRMSA-N 1 1 217.312 2.064 20 30 BEEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000451821875 388298185 /nfs/dbraw/zinc/29/81/85/388298185.db2.gz ILVJXDLZGHMGOA-GFCCVEGCSA-N 1 1 240.391 2.435 20 30 BEEDMO C#CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000491494181 388298664 /nfs/dbraw/zinc/29/86/64/388298664.db2.gz BAJXZANRZNFZMW-MRVPVSSYSA-N 1 1 206.116 2.135 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000491495593 388298844 /nfs/dbraw/zinc/29/88/44/388298844.db2.gz JVGUXGQXBILIGG-LLVKDONJSA-N 1 1 232.283 2.357 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451844852 388300314 /nfs/dbraw/zinc/30/03/14/388300314.db2.gz WMHDXKGIUJBTND-NEPJUHHUSA-N 1 1 209.333 2.452 20 30 BEEDMO C=C(C)C[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451844854 388300351 /nfs/dbraw/zinc/30/03/51/388300351.db2.gz WMHDXKGIUJBTND-RYUDHWBXSA-N 1 1 209.333 2.452 20 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C#C[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000491565799 388304051 /nfs/dbraw/zinc/30/40/51/388304051.db2.gz CJBIGVNDWJXGME-JTQLQIEISA-N 1 1 216.259 2.151 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCc1cnccc1C ZINC000491618229 388305097 /nfs/dbraw/zinc/30/50/97/388305097.db2.gz CPHTWTSYZODPLI-CYBMUJFWSA-N 1 1 216.328 2.276 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000491632955 388306829 /nfs/dbraw/zinc/30/68/29/388306829.db2.gz RCJLDNHEQWEYRX-QGZVFWFLSA-N 1 1 249.379 2.138 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC[S@@](=O)c1ccccc1 ZINC000491632955 388306830 /nfs/dbraw/zinc/30/68/30/388306830.db2.gz RCJLDNHEQWEYRX-QGZVFWFLSA-N 1 1 249.379 2.138 20 30 BEEDMO C#CC[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000491636971 388307325 /nfs/dbraw/zinc/30/73/25/388307325.db2.gz UHFGGPZPUBRHRW-UHFFFAOYSA-N 1 1 229.110 2.453 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000491636971 388307326 /nfs/dbraw/zinc/30/73/26/388307326.db2.gz UHFGGPZPUBRHRW-UHFFFAOYSA-N 1 1 229.110 2.453 20 30 BEEDMO C#CC[N@@H+](C)CCOC1CCCCCC1 ZINC000491659281 388308779 /nfs/dbraw/zinc/30/87/79/388308779.db2.gz CIJLXGSWZUGTSY-UHFFFAOYSA-N 1 1 209.333 2.291 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1F ZINC000491658719 388308829 /nfs/dbraw/zinc/30/88/29/388308829.db2.gz HRRFATFCUUXICI-LLVKDONJSA-N 1 1 221.275 2.158 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2ccccc2o1 ZINC000491673154 388309915 /nfs/dbraw/zinc/30/99/15/388309915.db2.gz ICTFSCBNVUWEGT-SNVBAGLBSA-N 1 1 214.268 2.281 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000491673154 388309916 /nfs/dbraw/zinc/30/99/16/388309916.db2.gz ICTFSCBNVUWEGT-SNVBAGLBSA-N 1 1 214.268 2.281 20 30 BEEDMO C#CC[N@H+](C)C[C@@]1(C)CC1(Cl)Cl ZINC000491710461 388313685 /nfs/dbraw/zinc/31/36/85/388313685.db2.gz SNUXOAZVNJQREN-MRVPVSSYSA-N 1 1 206.116 2.135 20 30 BEEDMO C#C[C@@H](CC)NC(=O)C[N@H+](C)CCCCCC ZINC000491710344 388313841 /nfs/dbraw/zinc/31/38/41/388313841.db2.gz UCBQFUYSJGBIBL-ZDUSSCGKSA-N 1 1 238.375 2.027 20 30 BEEDMO 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242.322 2.230 20 30 BEEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000893471378 583149945 /nfs/dbraw/zinc/14/99/45/583149945.db2.gz QNXLEMWNVQTSAX-UHFFFAOYSA-N 1 1 234.299 2.414 20 30 BEEDMO C=C1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000894005904 583273597 /nfs/dbraw/zinc/27/35/97/583273597.db2.gz NMROUEBVQKWBLX-UHFFFAOYSA-N 1 1 205.305 2.179 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CC1CCC(OC)CC1 ZINC000894058863 583291358 /nfs/dbraw/zinc/29/13/58/583291358.db2.gz AHKONLGFRWPVLL-PNESKVBLSA-N 1 1 209.333 2.145 20 30 BEEDMO C#Cc1cccnc1NCC[N@H+](C)[C@H](C)CC ZINC000853257092 588729823 /nfs/dbraw/zinc/72/98/23/588729823.db2.gz LKFXLGFHEUNFBX-GFCCVEGCSA-N 1 1 231.343 2.205 20 30 BEEDMO C[C@H]1CCCCN1N=C1CCC[N@@H+](C)CC1 ZINC000853379654 588738772 /nfs/dbraw/zinc/73/87/72/588738772.db2.gz LGERMXIAMJLXRM-LBPRGKRZSA-N 1 1 223.364 2.333 20 30 BEEDMO Cc1ccc(F)cc1N=NC1C[N@H+](C)C[C@@H]1C ZINC000853394022 588740462 /nfs/dbraw/zinc/74/04/62/588740462.db2.gz WJFMJAAKHJSARD-JTQLQIEISA-N 1 1 235.306 2.484 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](Cn2cc[nH]c2=S)C1 ZINC000853537390 588748147 /nfs/dbraw/zinc/74/81/47/588748147.db2.gz WSCKIKTZFOGIDG-NSHDSACASA-N 1 1 237.372 2.417 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](CC)CC1=O ZINC000853598159 588750194 /nfs/dbraw/zinc/75/01/94/588750194.db2.gz MOZHAMHIRXGTHY-MCIONIFRSA-N 1 1 248.370 2.385 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](C)[C@@H](C)C1=O ZINC000853598381 588750347 /nfs/dbraw/zinc/75/03/47/588750347.db2.gz QCURSOAXFTYIPR-SYQHCUMBSA-N 1 1 248.370 2.241 20 30 BEEDMO N#Cc1ccc(CCO[NH+]=C(N)CC2CC2)cc1 ZINC000853672628 588754620 /nfs/dbraw/zinc/75/46/20/588754620.db2.gz HZOWVCXEAHLDBL-UHFFFAOYSA-N 1 1 243.310 2.399 20 30 BEEDMO C#Cc1cccnc1NCCC[N@H+](C)CC(C)C ZINC000853709997 588758529 /nfs/dbraw/zinc/75/85/29/588758529.db2.gz OTTUOYAMDIIQCZ-UHFFFAOYSA-N 1 1 245.370 2.453 20 30 BEEDMO Cc1ccc(CO[NH+]=C(N)C2CCOCC2)cc1 ZINC000112087148 588782440 /nfs/dbraw/zinc/78/24/40/588782440.db2.gz ZSPPAYYMGFBPJO-UHFFFAOYSA-N 1 1 248.326 2.210 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000890550436 582472282 /nfs/dbraw/zinc/47/22/82/582472282.db2.gz XKKQHAUJUMIFNU-NWDGAFQWSA-N 1 1 236.359 2.036 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC000890550041 582472424 /nfs/dbraw/zinc/47/24/24/582472424.db2.gz SMNXGSQHAHRFOQ-LBPRGKRZSA-N 1 1 247.342 2.184 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000890562514 582478165 /nfs/dbraw/zinc/47/81/65/582478165.db2.gz ABPNAASMAUOECH-QWHCGFSZSA-N 1 1 236.359 2.038 20 30 BEEDMO C[C@H]1CC(=NOC/C=C\Cl)CC[N@H+]1C ZINC000811669748 582487788 /nfs/dbraw/zinc/48/77/88/582487788.db2.gz UAUAKBYUAKPQQU-YBHBEIIISA-N 1 1 216.712 2.226 20 30 BEEDMO C=CCCCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000890814107 582572770 /nfs/dbraw/zinc/57/27/70/582572770.db2.gz VFJUGAOIYMIKFX-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)CCCCC ZINC000121273150 582756814 /nfs/dbraw/zinc/75/68/14/582756814.db2.gz HZWQNTDMOZPNRQ-GFCCVEGCSA-N 1 1 226.364 2.189 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)CCCCC ZINC000121273150 582756815 /nfs/dbraw/zinc/75/68/15/582756815.db2.gz HZWQNTDMOZPNRQ-GFCCVEGCSA-N 1 1 226.364 2.189 20 30 BEEDMO C#C[C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000852216319 583010165 /nfs/dbraw/zinc/01/01/65/583010165.db2.gz ZETKKPQRSLTDJV-OWCLPIDISA-N 1 1 248.414 2.310 20 30 BEEDMO C#C[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000852216320 583010438 /nfs/dbraw/zinc/01/04/38/583010438.db2.gz ZETKKPQRSLTDJV-XHSDSOJGSA-N 1 1 248.414 2.310 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccc(CC)cn1 ZINC000852749317 583016963 /nfs/dbraw/zinc/01/69/63/583016963.db2.gz WABVJIZNWLCCID-UHFFFAOYSA-N 1 1 246.354 2.116 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccnc(Cl)c1 ZINC000853395115 583049201 /nfs/dbraw/zinc/04/92/01/583049201.db2.gz LKTYDZQXYICPHM-QMMMGPOBSA-N 1 1 238.722 2.084 20 30 BEEDMO C=C[C@@H](C)[NH2+]Cc1nnc(C(C)C)s1 ZINC000893112841 583051021 /nfs/dbraw/zinc/05/10/21/583051021.db2.gz IFWVMEAKEQHYOK-MRVPVSSYSA-N 1 1 211.334 2.326 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000893349866 583118095 /nfs/dbraw/zinc/11/80/95/583118095.db2.gz BTBBVRWYEWXCJF-UHFFFAOYSA-N 1 1 214.671 2.371 20 30 BEEDMO CCCCCCCCc1nc(C[NH3+])no1 ZINC000114576812 583122014 /nfs/dbraw/zinc/12/20/14/583122014.db2.gz QHPNNERDSPOVRI-UHFFFAOYSA-N 1 1 211.309 2.431 20 30 BEEDMO CCn1cc(C[NH+]2CCC(C)(C#N)CC2)c(C)n1 ZINC000893471135 583149886 /nfs/dbraw/zinc/14/98/86/583149886.db2.gz OXALCKILELANKI-UHFFFAOYSA-N 1 1 246.358 2.337 20 30 BEEDMO Cc1cc(F)ncc1C[NH2+]CC(C)(C)C#N ZINC000893550892 583162664 /nfs/dbraw/zinc/16/26/64/583162664.db2.gz IHKJXIKKQVKJJJ-UHFFFAOYSA-N 1 1 221.279 2.169 20 30 BEEDMO C[C@@H]1[C@H](C)N(Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000893668724 583192368 /nfs/dbraw/zinc/19/23/68/583192368.db2.gz HIEFZTRFUPQHKD-MNOVXSKESA-N 1 1 249.383 2.144 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2nccnc2C)C1 ZINC000857049628 588884275 /nfs/dbraw/zinc/88/42/75/588884275.db2.gz NKZCBYSPRTUSOD-ZDUSSCGKSA-N 1 1 229.327 2.020 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1 ZINC000857060892 588884599 /nfs/dbraw/zinc/88/45/99/588884599.db2.gz FUQPQNWIFWMQCZ-BBRMVZONSA-N 1 1 243.350 2.118 20 30 BEEDMO C=CCC[N@H+](C)Cc1cn(CC)nc1C ZINC000893929211 583250529 /nfs/dbraw/zinc/25/05/29/583250529.db2.gz DTSYQWMWFCZRQD-UHFFFAOYSA-N 1 1 207.321 2.219 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(C)cc(OC)c1OC ZINC000893976622 583266194 /nfs/dbraw/zinc/26/61/94/583266194.db2.gz VKZDIMGTJZOBMK-UHFFFAOYSA-N 1 1 247.338 2.467 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(C)cc(OC)c1OC ZINC000893976622 583266197 /nfs/dbraw/zinc/26/61/97/583266197.db2.gz VKZDIMGTJZOBMK-UHFFFAOYSA-N 1 1 247.338 2.467 20 30 BEEDMO C=CC[N@@H+](CCOC)Cc1cnc(F)cc1C ZINC000893994047 583267351 /nfs/dbraw/zinc/26/73/51/583267351.db2.gz ZJZHHIJHSSPYBO-UHFFFAOYSA-N 1 1 238.306 2.164 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1cnc(F)cc1C ZINC000893994047 583267352 /nfs/dbraw/zinc/26/73/52/583267352.db2.gz ZJZHHIJHSSPYBO-UHFFFAOYSA-N 1 1 238.306 2.164 20 30 BEEDMO C=CC[N@@H+](CCOC)Cc1csc(C#N)c1 ZINC000893992629 583268114 /nfs/dbraw/zinc/26/81/14/583268114.db2.gz LZRODIOMUWLFDM-UHFFFAOYSA-N 1 1 236.340 2.254 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1csc(C#N)c1 ZINC000893992629 583268116 /nfs/dbraw/zinc/26/81/16/583268116.db2.gz LZRODIOMUWLFDM-UHFFFAOYSA-N 1 1 236.340 2.254 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000894059428 583291640 /nfs/dbraw/zinc/29/16/40/583291640.db2.gz JCGUMQYCUBGBOU-NWDGAFQWSA-N 1 1 229.323 2.464 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC000894060769 583292681 /nfs/dbraw/zinc/29/26/81/583292681.db2.gz YAGFKXVDHBZDHS-AEJSXWLSSA-N 1 1 230.149 2.113 20 30 BEEDMO C=C(CC)CNc1nccn2c[nH+]cc12 ZINC000894117457 583310342 /nfs/dbraw/zinc/31/03/42/583310342.db2.gz GUJKCUIWTXNTCP-UHFFFAOYSA-N 1 1 202.261 2.107 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)C ZINC000877513760 583320586 /nfs/dbraw/zinc/32/05/86/583320586.db2.gz ZAOPVPCTTFUORH-LBPRGKRZSA-N 1 1 247.729 2.354 20 30 BEEDMO CC(C)(CC#N)CNc1nccn2c[nH+]cc12 ZINC000894159676 583320932 /nfs/dbraw/zinc/32/09/32/583320932.db2.gz OLQNWHOIMHBUMC-UHFFFAOYSA-N 1 1 229.287 2.081 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CC2CCSCC2)C1 ZINC000877617185 583339805 /nfs/dbraw/zinc/33/98/05/583339805.db2.gz MMAIBSTXKWRZNQ-LBPRGKRZSA-N 1 1 223.385 2.475 20 30 BEEDMO C[N@H+]1CCCC(=NOCCC2CC2)CC1 ZINC000814245377 583351431 /nfs/dbraw/zinc/35/14/31/583351431.db2.gz QDFYQIBKCDSXHG-UHFFFAOYSA-N 1 1 210.321 2.275 20 30 BEEDMO CC[C@H](C=NN1CC[NH+](C)CC1)c1ccccc1 ZINC000814684964 583364395 /nfs/dbraw/zinc/36/43/95/583364395.db2.gz FZQXLMUDTVLTPE-CQSZACIVSA-N 1 1 245.370 2.413 20 30 BEEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000878406960 583372683 /nfs/dbraw/zinc/37/26/83/583372683.db2.gz HLUMSNSJDYOPKA-QWHCGFSZSA-N 1 1 239.359 2.426 20 30 BEEDMO C=CC[N@H+](CCOC)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878503836 583377323 /nfs/dbraw/zinc/37/73/23/583377323.db2.gz YSEKOAOUUVJYAR-MELADBBJSA-N 1 1 239.359 2.078 20 30 BEEDMO CC(C)C(=O)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879310651 583422256 /nfs/dbraw/zinc/42/22/56/583422256.db2.gz XTGMVTSAKNZVOI-RYUDHWBXSA-N 1 1 222.332 2.226 20 30 BEEDMO CC(C)C(=O)CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879310651 583422258 /nfs/dbraw/zinc/42/22/58/583422258.db2.gz XTGMVTSAKNZVOI-RYUDHWBXSA-N 1 1 222.332 2.226 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894468803 583467885 /nfs/dbraw/zinc/46/78/85/583467885.db2.gz DIJGEBWADXBAHY-LLVKDONJSA-N 1 1 244.298 2.313 20 30 BEEDMO Cc1nnc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)[nH]1 ZINC000894467021 583468509 /nfs/dbraw/zinc/46/85/09/583468509.db2.gz GCQNYPMEROMIIU-IUCAKERBSA-N 1 1 235.335 2.092 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894469921 583469015 /nfs/dbraw/zinc/46/90/15/583469015.db2.gz RXRLQAOFVDTRKA-JTQLQIEISA-N 1 1 244.298 2.050 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894533575 583478759 /nfs/dbraw/zinc/47/87/59/583478759.db2.gz SVCLFHALOUSCIU-UHFFFAOYSA-N 1 1 231.299 2.276 20 30 BEEDMO CC[N@H+](Cc1csc(C#N)c1)C[C@@H](C)OC ZINC000894577415 583487318 /nfs/dbraw/zinc/48/73/18/583487318.db2.gz WGPKVSXFTHJBSH-SNVBAGLBSA-N 1 1 238.356 2.477 20 30 BEEDMO COCCC1(C)C[NH+](CC#Cc2ccccc2)C1 ZINC000894841722 583530273 /nfs/dbraw/zinc/53/02/73/583530273.db2.gz YXLGWMUEHGUZPV-UHFFFAOYSA-N 1 1 243.350 2.397 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000894861228 583534537 /nfs/dbraw/zinc/53/45/37/583534537.db2.gz CDDQURHKTPMBES-NWDGAFQWSA-N 1 1 243.354 2.464 20 30 BEEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000894867188 583538261 /nfs/dbraw/zinc/53/82/61/583538261.db2.gz LJVBBGWXPRHLLA-ONGXEEELSA-N 1 1 236.365 2.309 20 30 BEEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cs1 ZINC000894867188 583538262 /nfs/dbraw/zinc/53/82/62/583538262.db2.gz LJVBBGWXPRHLLA-ONGXEEELSA-N 1 1 236.365 2.309 20 30 BEEDMO C=CCOCC[N@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880461912 583541639 /nfs/dbraw/zinc/54/16/39/583541639.db2.gz KUYPQCYDRWWQBJ-HNNXBMFYSA-N 1 1 249.354 2.245 20 30 BEEDMO C#CCCC[N@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880461557 583541763 /nfs/dbraw/zinc/54/17/63/583541763.db2.gz INQSSNJCUKTREZ-HNNXBMFYSA-N 1 1 231.339 2.455 20 30 BEEDMO CC1(CNN=C2CC[N@H+]3CCC[C@@H]23)CCCC1 ZINC000793082347 583552597 /nfs/dbraw/zinc/55/25/97/583552597.db2.gz WMLPKYKSBGVRIO-ZDUSSCGKSA-N 1 1 235.375 2.380 20 30 BEEDMO C[C@@H](N=NC1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000793114627 583553403 /nfs/dbraw/zinc/55/34/03/583553403.db2.gz IDBKZUTZOLQRAW-GHMZBOCLSA-N 1 1 225.380 2.481 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc3c2OCC3)CCC1 ZINC000894965661 583559662 /nfs/dbraw/zinc/55/96/62/583559662.db2.gz IEINOEQMIVAPHR-UHFFFAOYSA-N 1 1 242.322 2.405 20 30 BEEDMO C=C(C)C[N@H+](CC)CC(OCC)OCC ZINC000123695143 583569248 /nfs/dbraw/zinc/56/92/48/583569248.db2.gz HJKPJOPKXDAITE-UHFFFAOYSA-N 1 1 215.337 2.284 20 30 BEEDMO CC(C)CON=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000749636545 583595785 /nfs/dbraw/zinc/59/57/85/583595785.db2.gz PMETURKCUUOKLQ-SNVBAGLBSA-N 1 1 210.321 2.272 20 30 BEEDMO CC(C)CO[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000749631251 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223.364 2.377 20 30 BEEDMO CCC(CC)NN=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753961179 585273668 /nfs/dbraw/zinc/27/36/68/585273668.db2.gz XSTXSMYQJYSWCW-SNVBAGLBSA-N 1 1 223.364 2.377 20 30 BEEDMO C=CC[N@H+](Cc1ccnc(N(C)C)c1)C1CC1 ZINC000754097931 585278439 /nfs/dbraw/zinc/27/84/39/585278439.db2.gz RPAGCLRNMCTWGH-UHFFFAOYSA-N 1 1 231.343 2.298 20 30 BEEDMO CCCCNN=C1C[N@H+](C(C)C)C[C@@H]1C ZINC000754256425 585280963 /nfs/dbraw/zinc/28/09/63/585280963.db2.gz BLTLHTONWXKYRZ-NSHDSACASA-N 1 1 211.353 2.092 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000754239363 585281025 /nfs/dbraw/zinc/28/10/25/585281025.db2.gz ZCDXKEJOMNKZJF-CHWSQXEVSA-N 1 1 223.360 2.129 20 30 BEEDMO CC(C)[N@@H+]1CC(N=Nc2ccccn2)[C@@H](C)C1 ZINC000754253333 585281194 /nfs/dbraw/zinc/28/11/94/585281194.db2.gz CXFAUPRSXUGRGL-NSHDSACASA-N 1 1 232.331 2.210 20 30 BEEDMO C=CC[N@H+](CCC1OCCCO1)C(C)C ZINC000754641820 585288524 /nfs/dbraw/zinc/28/85/24/585288524.db2.gz VIQQTPJZYQWAFI-UHFFFAOYSA-N 1 1 213.321 2.036 20 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CCC[N@@H+](CC#CCOC)Cc1ccccc1O ZINC000762926280 585439594 /nfs/dbraw/zinc/43/95/94/585439594.db2.gz PEPYHHRUTJYYRU-UHFFFAOYSA-N 1 1 247.338 2.254 20 30 BEEDMO C=CC[N@H+](CCCc1nc(C)no1)C(C)C ZINC000763495387 585449063 /nfs/dbraw/zinc/44/90/63/585449063.db2.gz LCKZCOJBIVRELV-UHFFFAOYSA-N 1 1 223.320 2.207 20 30 BEEDMO C#CCOc1ccccc1C[N@H+](CC#C)C1CC1 ZINC000764676893 585470699 /nfs/dbraw/zinc/47/06/99/585470699.db2.gz OFVTYWJLLUQZLC-UHFFFAOYSA-N 1 1 239.318 2.296 20 30 BEEDMO C#CCOc1ccccc1C[N@@H+](CC#C)C1CC1 ZINC000764676893 585470700 /nfs/dbraw/zinc/47/07/00/585470700.db2.gz OFVTYWJLLUQZLC-UHFFFAOYSA-N 1 1 239.318 2.296 20 30 BEEDMO C[C@H]1C[N@H+](C2CC2)CC1=NOCC(F)(F)F ZINC000764845349 585475632 /nfs/dbraw/zinc/47/56/32/585475632.db2.gz UYUHCZWGKMWTNQ-ZETCQYMHSA-N 1 1 236.237 2.035 20 30 BEEDMO C#CCCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000765004865 585479389 /nfs/dbraw/zinc/47/93/89/585479389.db2.gz BVJCTZJSSFELQX-OAHLLOKOSA-N 1 1 228.339 2.359 20 30 BEEDMO c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 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/nfs/dbraw/zinc/55/96/52/585559652.db2.gz YCWKMECABKHXFO-CHWSQXEVSA-N 1 1 237.391 2.436 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000770002114 585569002 /nfs/dbraw/zinc/56/90/02/585569002.db2.gz PURUKRPZSVHWLA-CQSZACIVSA-N 1 1 237.343 2.208 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000770025351 585569804 /nfs/dbraw/zinc/56/98/04/585569804.db2.gz LWRAWPRGAQRHOV-KBPBESRZSA-N 1 1 245.370 2.401 20 30 BEEDMO C=CCCCC(=O)OCCn1cc[nH+]c1C ZINC000771985419 585606151 /nfs/dbraw/zinc/60/61/51/585606151.db2.gz WOYJJKKKMBNYEV-UHFFFAOYSA-N 1 1 222.288 2.091 20 30 BEEDMO C=CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000772382298 585614062 /nfs/dbraw/zinc/61/40/62/585614062.db2.gz PPMFKODKRTYZQG-HNNXBMFYSA-N 1 1 242.322 2.242 20 30 BEEDMO CCC(CC)CNN=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000774477782 585659996 /nfs/dbraw/zinc/65/99/96/585659996.db2.gz YOQONTZCDLFBOP-NSHDSACASA-N 1 1 237.391 2.482 20 30 BEEDMO CCC(CC)CNN=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000774477782 585659997 /nfs/dbraw/zinc/65/99/97/585659997.db2.gz YOQONTZCDLFBOP-NSHDSACASA-N 1 1 237.391 2.482 20 30 BEEDMO C[C@H]1CC(=NOC2CCCC2)CC[N@H+]1C ZINC000774603102 585661780 /nfs/dbraw/zinc/66/17/80/585661780.db2.gz LVHZUHSCNKLCNM-JTQLQIEISA-N 1 1 210.321 2.416 20 30 BEEDMO C[C@@H]1CC(=NOC2CCCC2)CC[N@H+]1C ZINC000774603103 585661865 /nfs/dbraw/zinc/66/18/65/585661865.db2.gz LVHZUHSCNKLCNM-SNVBAGLBSA-N 1 1 210.321 2.416 20 30 BEEDMO C[C@H]1C[N@H+](C2CC2)CC1=NOC1CCCC1 ZINC000774607895 585662065 /nfs/dbraw/zinc/66/20/65/585662065.db2.gz JKWPMAXXHFULOX-JTQLQIEISA-N 1 1 222.332 2.416 20 30 BEEDMO C#CC[C@@H](NCC[NH+]1CCCC1)c1ccccc1 ZINC000775398745 585677534 /nfs/dbraw/zinc/67/75/34/585677534.db2.gz ATUUSFYTCGIBNS-MRXNPFEDSA-N 1 1 242.366 2.436 20 30 BEEDMO C[C@H]1CCOCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000775566843 585679973 /nfs/dbraw/zinc/67/99/73/585679973.db2.gz FLIYKBIRLUBVIB-NSHDSACASA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H]1CCOCC[N@H+]1Cc1cccc(C#N)c1F ZINC000775566843 585679974 /nfs/dbraw/zinc/67/99/74/585679974.db2.gz FLIYKBIRLUBVIB-NSHDSACASA-N 1 1 248.301 2.308 20 30 BEEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000775590587 585681012 /nfs/dbraw/zinc/68/10/12/585681012.db2.gz BXIHDOSOMNBENU-GFCCVEGCSA-N 1 1 225.332 2.180 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC(C)C)C(C)C ZINC000776578479 585700964 /nfs/dbraw/zinc/70/09/64/585700964.db2.gz GGVUFNGOUYEWAV-UHFFFAOYSA-N 1 1 213.321 2.082 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC(C)C)C(C)C ZINC000776578479 585700965 /nfs/dbraw/zinc/70/09/65/585700965.db2.gz GGVUFNGOUYEWAV-UHFFFAOYSA-N 1 1 213.321 2.082 20 30 BEEDMO C#CC[N@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000859252935 589024771 /nfs/dbraw/zinc/02/47/71/589024771.db2.gz UJBIXJOQDUGHFZ-UHFFFAOYSA-N 1 1 224.307 2.464 20 30 BEEDMO C=C(Cl)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805611647 585738182 /nfs/dbraw/zinc/73/81/82/585738182.db2.gz YIHXQTXNJMACRB-UHFFFAOYSA-N 1 1 231.723 2.157 20 30 BEEDMO C#CCOc1ccccc1C[N@@H+]1CC=CCC1 ZINC000779159498 585746038 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/nfs/dbraw/zinc/79/07/13/585790713.db2.gz LSFYJFKZDZFXFE-VIFPVBQESA-N 1 1 248.305 2.103 20 30 BEEDMO C[C@@H]1C[N@H+](C)CC1=NN[C@@H]1CCCC1(C)C ZINC000782289827 585814267 /nfs/dbraw/zinc/81/42/67/585814267.db2.gz WBHBTIZIJAVQMM-ZYHUDNBSSA-N 1 1 223.364 2.092 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1=NN[C@@H]1CCCC1(C)C ZINC000782289827 585814268 /nfs/dbraw/zinc/81/42/68/585814268.db2.gz WBHBTIZIJAVQMM-ZYHUDNBSSA-N 1 1 223.364 2.092 20 30 BEEDMO COC[C@@H](C)C[N@@H+](CCC#N)CC(C)C ZINC000783506996 585835719 /nfs/dbraw/zinc/83/57/19/585835719.db2.gz VGZRQCGIHOHNPO-LBPRGKRZSA-N 1 1 212.337 2.141 20 30 BEEDMO COC[C@H](C)C[N@@H+](CCC#N)CC(C)C ZINC000783506995 585835761 /nfs/dbraw/zinc/83/57/61/585835761.db2.gz VGZRQCGIHOHNPO-GFCCVEGCSA-N 1 1 212.337 2.141 20 30 BEEDMO CC[C@@H]1CCC[C@@H](C=NN2CC[NH+](C)CC2)C1 ZINC000783774387 585842856 /nfs/dbraw/zinc/84/28/56/585842856.db2.gz UZLZWGORWSJPSR-ZIAGYGMSSA-N 1 1 237.391 2.436 20 30 BEEDMO C#CCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000784382716 585857734 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585880259 /nfs/dbraw/zinc/88/02/59/585880259.db2.gz IXHDFPGAMCSLDS-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO Cc1cc(C[N@H+]2CCN(C)[C@@H](C)C2)ccc1C#N ZINC000785765954 585880260 /nfs/dbraw/zinc/88/02/60/585880260.db2.gz IXHDFPGAMCSLDS-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1[C@H](C)C(=O)OCCC ZINC000785997217 585885163 /nfs/dbraw/zinc/88/51/63/585885163.db2.gz KCBDACURZBBWSZ-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1[C@H](C)C(=O)OCCC ZINC000785997217 585885164 /nfs/dbraw/zinc/88/51/64/585885164.db2.gz KCBDACURZBBWSZ-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO C1C[C@@H]2C(=NNC3CCCCC3)CC[N@@H+]2C1 ZINC000786042845 585885861 /nfs/dbraw/zinc/88/58/61/585885861.db2.gz BBGLJUNKQYGQCO-CYBMUJFWSA-N 1 1 221.348 2.133 20 30 BEEDMO C[N@H+]1CCCC(=NNC2CCCCC2)CC1 ZINC000786043774 585886323 /nfs/dbraw/zinc/88/63/23/585886323.db2.gz XGPMLAUFEQDNNA-UHFFFAOYSA-N 1 1 223.364 2.380 20 30 BEEDMO C=CCC[N@H+](C)Cn1ncc(Cl)c1C ZINC000786102713 585887333 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CCWUNKYNIPMYIC-LBPRGKRZSA-N 1 1 248.326 2.317 20 30 BEEDMO C#CCCCCC(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810612340 586542731 /nfs/dbraw/zinc/54/27/31/586542731.db2.gz CCWUNKYNIPMYIC-GFCCVEGCSA-N 1 1 248.326 2.317 20 30 BEEDMO C#CCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810839753 586547856 /nfs/dbraw/zinc/54/78/56/586547856.db2.gz XQTJAYKIYLSHQZ-UONOGXRCSA-N 1 1 249.354 2.350 20 30 BEEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811489776 586559976 /nfs/dbraw/zinc/55/99/76/586559976.db2.gz INMNTGZHFXYRSP-RWMBFGLXSA-N 1 1 238.375 2.188 20 30 BEEDMO C=CCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811766447 586566614 /nfs/dbraw/zinc/56/66/14/586566614.db2.gz QCZOVNFGSFLOFQ-GFCCVEGCSA-N 1 1 236.359 2.099 20 30 BEEDMO C#CCON=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000812234430 586571396 /nfs/dbraw/zinc/57/13/96/586571396.db2.gz HMDPRAYEOHLRCE-ZDUSSCGKSA-N 1 1 242.322 2.287 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOC2CCC2)[C@@H](C)C1 ZINC000812238442 586572020 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587616572 /nfs/dbraw/zinc/61/65/72/587616572.db2.gz PDSCWHFHCAPVJS-WCBMZHEXSA-N 1 1 248.164 2.252 20 30 BEEDMO C=C(Br)C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000831528399 587616574 /nfs/dbraw/zinc/61/65/74/587616574.db2.gz PDSCWHFHCAPVJS-WCBMZHEXSA-N 1 1 248.164 2.252 20 30 BEEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(C(C)C)o1 ZINC000831678667 587627372 /nfs/dbraw/zinc/62/73/72/587627372.db2.gz DZQBJKFNQKTZCG-MNOVXSKESA-N 1 1 236.315 2.231 20 30 BEEDMO C#CCCC[N@@H+]1CCOc2ccc(OC)cc2C1 ZINC000831772886 587631449 /nfs/dbraw/zinc/63/14/49/587631449.db2.gz COXWGCJMLHRLMJ-UHFFFAOYSA-N 1 1 245.322 2.303 20 30 BEEDMO C#CCC[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832054407 587644062 /nfs/dbraw/zinc/64/40/62/587644062.db2.gz KASLSTBMAOBNRE-KGLIPLIRSA-N 1 1 249.354 2.017 20 30 BEEDMO C#CCC[N@H+]1CCOCC12CCCCC2 ZINC000832174968 587648859 /nfs/dbraw/zinc/64/88/59/587648859.db2.gz DKCQPYBRAYTJLI-UHFFFAOYSA-N 1 1 207.317 2.045 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000832336992 587655164 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588303579 /nfs/dbraw/zinc/30/35/79/588303579.db2.gz OAAAMQWTCKUDDK-QWHCGFSZSA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccncc2)C1 ZINC000847025670 588303601 /nfs/dbraw/zinc/30/36/01/588303601.db2.gz OAAAMQWTCKUDDK-STQMWFEESA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OCCCC)C1 ZINC000847027433 588304015 /nfs/dbraw/zinc/30/40/15/588304015.db2.gz SRBRVBJMQCAXDS-STQMWFEESA-N 1 1 237.343 2.063 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)OCCCC)C1 ZINC000847027433 588304016 /nfs/dbraw/zinc/30/40/16/588304016.db2.gz SRBRVBJMQCAXDS-STQMWFEESA-N 1 1 237.343 2.063 20 30 BEEDMO C=CCN(C(=O)[C@@H](C)Cc1cnc[nH]1)C(C)C ZINC000847438782 588313153 /nfs/dbraw/zinc/31/31/53/588313153.db2.gz ORMFPBMPYFSWFK-NSHDSACASA-N 1 1 235.331 2.011 20 30 BEEDMO C=CC(C)(C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847821026 588333972 /nfs/dbraw/zinc/33/39/72/588333972.db2.gz XTEWCCPGGVXGSZ-NSHDSACASA-N 1 1 225.332 2.084 20 30 BEEDMO C=CCCCC(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847822803 588334288 /nfs/dbraw/zinc/33/42/88/588334288.db2.gz BFODFORYVQTHOV-LBPRGKRZSA-N 1 1 225.332 2.228 20 30 BEEDMO CC[C@H](C)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848409510 588379364 /nfs/dbraw/zinc/37/93/64/588379364.db2.gz YEISZYLMGQWDQZ-AAEUAGOBSA-N 1 1 223.364 2.379 20 30 BEEDMO CC[C@H](C)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848409512 588379552 /nfs/dbraw/zinc/37/95/52/588379552.db2.gz YEISZYLMGQWDQZ-WCQYABFASA-N 1 1 223.364 2.379 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000848521119 588390747 /nfs/dbraw/zinc/39/07/47/588390747.db2.gz SIXCZWOZJMHQPS-CABZTGNLSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)c(F)c1 ZINC000848521157 588391138 /nfs/dbraw/zinc/39/11/38/588391138.db2.gz RLXKLXDDUXMVKR-GZMMTYOYSA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000848520277 588391314 /nfs/dbraw/zinc/39/13/14/588391314.db2.gz PVJVYMCPGZOUHZ-KCJUWKMLSA-N 1 1 247.273 2.352 20 30 BEEDMO C=CCCc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848630485 588402745 /nfs/dbraw/zinc/40/27/45/588402745.db2.gz MMJDZPJKRHNESB-JTQLQIEISA-N 1 1 234.303 2.272 20 30 BEEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107801416 588409539 /nfs/dbraw/zinc/40/95/39/588409539.db2.gz SKRANFPLRNJZQP-JTQLQIEISA-N 1 1 203.713 2.097 20 30 BEEDMO C=CCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848774202 588413192 /nfs/dbraw/zinc/41/31/92/588413192.db2.gz KKVNLIWIXXJJJP-AWEZNQCLSA-N 1 1 245.322 2.238 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(CC)c1O ZINC000848907064 588419444 /nfs/dbraw/zinc/41/94/44/588419444.db2.gz HXTIFGKXHBFPDE-NSHDSACASA-N 1 1 217.312 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2(OC)CCCC2)C1 ZINC000848923259 588421344 /nfs/dbraw/zinc/42/13/44/588421344.db2.gz CAIHKOIFMYEFJN-CYBMUJFWSA-N 1 1 221.344 2.291 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000848923433 588421407 /nfs/dbraw/zinc/42/14/07/588421407.db2.gz DWWXYKVUVDTUNH-LLVKDONJSA-N 1 1 246.379 2.477 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000848923433 588421408 /nfs/dbraw/zinc/42/14/08/588421408.db2.gz DWWXYKVUVDTUNH-LLVKDONJSA-N 1 1 246.379 2.477 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000848924286 588421623 /nfs/dbraw/zinc/42/16/23/588421623.db2.gz PFIIGVSJVXJQLP-LBPRGKRZSA-N 1 1 232.302 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000848924308 588421629 /nfs/dbraw/zinc/42/16/29/588421629.db2.gz PPVPHNWVHKFHRF-RYUDHWBXSA-N 1 1 209.358 2.085 20 30 BEEDMO C#CCOCC[N@H+]1CCc2sccc2[C@H]1C ZINC000851717098 588616475 /nfs/dbraw/zinc/61/64/75/588616475.db2.gz HTPYKHSOAPDZAD-LLVKDONJSA-N 1 1 235.352 2.317 20 30 BEEDMO C#CCOCC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000851720598 588617063 /nfs/dbraw/zinc/61/70/63/588617063.db2.gz OKHNOKDXJUCVFD-ZDUSSCGKSA-N 1 1 229.323 2.256 20 30 BEEDMO C#CCOCC[N@H+](CC)CC(CC)CC ZINC000851726394 588618144 /nfs/dbraw/zinc/61/81/44/588618144.db2.gz QGJAMCVZLRXUEY-UHFFFAOYSA-N 1 1 211.349 2.394 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccs1 ZINC000851727938 588618566 /nfs/dbraw/zinc/61/85/66/588618566.db2.gz BNJUXWQJRLXDOW-NSHDSACASA-N 1 1 223.341 2.391 20 30 BEEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C#N)CC2)C1 ZINC000851739677 588620783 /nfs/dbraw/zinc/62/07/83/588620783.db2.gz DVXRSWOEDZISBV-OKILXGFUSA-N 1 1 249.402 2.200 20 30 BEEDMO C#CCOCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000851738117 588621008 /nfs/dbraw/zinc/62/10/08/588621008.db2.gz ARIDOUZNDBXPOH-UHFFFAOYSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CCOCC[N@H+](CC)CCc1cccs1 ZINC000851739290 588621031 /nfs/dbraw/zinc/62/10/31/588621031.db2.gz IESSULWZKXVJBG-UHFFFAOYSA-N 1 1 237.368 2.262 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000851750754 588623367 /nfs/dbraw/zinc/62/33/67/588623367.db2.gz JOYKWWJAVOXUGG-UHFFFAOYSA-N 1 1 247.338 2.085 20 30 BEEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851781542 588628017 /nfs/dbraw/zinc/62/80/17/588628017.db2.gz ZVXOGIIDZLMTQE-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C#CC[N@H+](CC#CC)CCOCc1ccccc1 ZINC000851784553 588628270 /nfs/dbraw/zinc/62/82/70/588628270.db2.gz KCFBVSUFUOPZDD-UHFFFAOYSA-N 1 1 241.334 2.162 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCOCc1ccccc1 ZINC000851784553 588628271 /nfs/dbraw/zinc/62/82/71/588628271.db2.gz KCFBVSUFUOPZDD-UHFFFAOYSA-N 1 1 241.334 2.162 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000851792502 588629059 /nfs/dbraw/zinc/62/90/59/588629059.db2.gz POLGDBZDMOZKHT-CHWSQXEVSA-N 1 1 241.400 2.242 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000851824087 588633456 /nfs/dbraw/zinc/63/34/56/588633456.db2.gz BVPPJGNYYZBUJA-OAHLLOKOSA-N 1 1 245.322 2.179 20 30 BEEDMO CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000851922656 588644107 /nfs/dbraw/zinc/64/41/07/588644107.db2.gz JRBHZJLLNFUESQ-XQQFMLRXSA-N 1 1 222.332 2.180 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000851924541 588644243 /nfs/dbraw/zinc/64/42/43/588644243.db2.gz PLNRZESVUKVZPN-LBPRGKRZSA-N 1 1 209.333 2.004 20 30 BEEDMO C#CC[N@H+](C[C@H](OC)C1CCCC1)C1CC1 ZINC000851938425 588646280 /nfs/dbraw/zinc/64/62/80/588646280.db2.gz PICAGXQNXPPPOF-AWEZNQCLSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1conc1CC ZINC000851986612 588651739 /nfs/dbraw/zinc/65/17/39/588651739.db2.gz MDIKJHJRIVFIHE-UHFFFAOYSA-N 1 1 206.289 2.081 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1conc1CC ZINC000851986612 588651740 /nfs/dbraw/zinc/65/17/40/588651740.db2.gz MDIKJHJRIVFIHE-UHFFFAOYSA-N 1 1 206.289 2.081 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000851990550 588653051 /nfs/dbraw/zinc/65/30/51/588653051.db2.gz UKVHTFOVOAXXBP-LLVKDONJSA-N 1 1 225.295 2.083 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000851990550 588653052 /nfs/dbraw/zinc/65/30/52/588653052.db2.gz UKVHTFOVOAXXBP-LLVKDONJSA-N 1 1 225.295 2.083 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc2ccccc2n1 ZINC000851990551 588653123 /nfs/dbraw/zinc/65/31/23/588653123.db2.gz UKVHTFOVOAXXBP-NSHDSACASA-N 1 1 225.295 2.083 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc2ccccc2n1 ZINC000851990551 588653124 /nfs/dbraw/zinc/65/31/24/588653124.db2.gz UKVHTFOVOAXXBP-NSHDSACASA-N 1 1 225.295 2.083 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851995702 588653335 /nfs/dbraw/zinc/65/33/35/588653335.db2.gz WSFSDDZUYCHXSA-TZMCWYRMSA-N 1 1 232.327 2.156 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccn1 ZINC000851995699 588653449 /nfs/dbraw/zinc/65/34/49/588653449.db2.gz WSFSDDZUYCHXSA-GXTWGEPZSA-N 1 1 232.327 2.156 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1cccc(C)c1C ZINC000852076692 588659710 /nfs/dbraw/zinc/65/97/10/588659710.db2.gz YGHQJARRGNRLLX-UHFFFAOYSA-N 1 1 231.339 2.385 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(C2CC2)no1 ZINC000852104122 588663526 /nfs/dbraw/zinc/66/35/26/588663526.db2.gz BMTIQOXGIUYAAB-CYBMUJFWSA-N 1 1 218.300 2.444 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000852105138 588663885 /nfs/dbraw/zinc/66/38/85/588663885.db2.gz SRUOCHKUKPXTTQ-CQSZACIVSA-N 1 1 231.343 2.111 20 30 BEEDMO C#CCOCC[N@H+](CC)C1CC(C)(C)C1 ZINC000852176010 588669425 /nfs/dbraw/zinc/66/94/25/588669425.db2.gz PSZCVJXFIBSUQT-UHFFFAOYSA-N 1 1 209.333 2.147 20 30 BEEDMO C=C(Cl)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000852289095 588676368 /nfs/dbraw/zinc/67/63/68/588676368.db2.gz XUHGOLJLHSNFHS-CYBMUJFWSA-N 1 1 239.746 2.274 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000852289095 588676369 /nfs/dbraw/zinc/67/63/69/588676369.db2.gz XUHGOLJLHSNFHS-CYBMUJFWSA-N 1 1 239.746 2.274 20 30 BEEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852319277 588677801 /nfs/dbraw/zinc/67/78/01/588677801.db2.gz JGUMXNNAIHMVDU-JHJVBQTASA-N 1 1 222.332 2.180 20 30 BEEDMO CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326261 588678676 /nfs/dbraw/zinc/67/86/76/588678676.db2.gz MWMBMZHNSSHMCX-CQSZACIVSA-N 1 1 229.327 2.349 20 30 BEEDMO CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326261 588678677 /nfs/dbraw/zinc/67/86/77/588678677.db2.gz MWMBMZHNSSHMCX-CQSZACIVSA-N 1 1 229.327 2.349 20 30 BEEDMO C=CC[N@H+](Cc1cccc(F)n1)[C@H](C)COC ZINC000852356427 588679527 /nfs/dbraw/zinc/67/95/27/588679527.db2.gz DQAFWVQUUSCIRS-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@@H+](Cc1cccc(F)n1)[C@H](C)COC ZINC000852356427 588679528 /nfs/dbraw/zinc/67/95/28/588679528.db2.gz DQAFWVQUUSCIRS-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@H+](Cc1ccc(F)cn1)[C@H](C)COC ZINC000852356291 588679534 /nfs/dbraw/zinc/67/95/34/588679534.db2.gz AEBDLZJJIAVSMY-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@@H+](Cc1ccc(F)cn1)[C@H](C)COC ZINC000852356291 588679535 /nfs/dbraw/zinc/67/95/35/588679535.db2.gz AEBDLZJJIAVSMY-LLVKDONJSA-N 1 1 238.306 2.244 20 30 BEEDMO C=CC[N@@H+](C/C=C\Cl)[C@@H](C)COC ZINC000852357601 588679910 /nfs/dbraw/zinc/67/99/10/588679910.db2.gz DYMLTDKDRYDLKC-OMMCCPJFSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852410289 588681262 /nfs/dbraw/zinc/68/12/62/588681262.db2.gz LCROAUBTJYYSGS-QWHCGFSZSA-N 1 1 239.359 2.426 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000852411800 588681391 /nfs/dbraw/zinc/68/13/91/588681391.db2.gz VMQOJLJTADLTHC-NSHDSACASA-N 1 1 221.304 2.166 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000852410478 588681510 /nfs/dbraw/zinc/68/15/10/588681510.db2.gz MMZQIFAKGQASTG-LBPRGKRZSA-N 1 1 225.332 2.038 20 30 BEEDMO C=CC[N@H+](CCC1OCCCO1)C(C)(C)C ZINC000852554090 588689441 /nfs/dbraw/zinc/68/94/41/588689441.db2.gz BWBUGASTOPVTEQ-UHFFFAOYSA-N 1 1 227.348 2.426 20 30 BEEDMO C#CCCC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637059 588693659 /nfs/dbraw/zinc/69/36/59/588693659.db2.gz RASFADDPBRILSG-ZDUSSCGKSA-N 1 1 221.344 2.433 20 30 BEEDMO C#CCCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852648625 588694080 /nfs/dbraw/zinc/69/40/80/588694080.db2.gz BJSIQCDHDGPVHU-UHFFFAOYSA-N 1 1 233.355 2.291 20 30 BEEDMO C#CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000852675978 588694817 /nfs/dbraw/zinc/69/48/17/588694817.db2.gz FZFCURMGUNKXTF-JTQLQIEISA-N 1 1 244.121 2.250 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccn1 ZINC000852687352 588696278 /nfs/dbraw/zinc/69/62/78/588696278.db2.gz IWTLQYAPIWWOHT-GUTXKFCHSA-N 1 1 244.338 2.298 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@H](C)C#N ZINC000852687643 588696506 /nfs/dbraw/zinc/69/65/06/588696506.db2.gz MEPBUFUNAHJGDJ-UPJWGTAASA-N 1 1 220.316 2.098 20 30 BEEDMO Cc1c[nH+]cn1CC(=O)OCC(C)(C)CCC#N ZINC000860735814 589117202 /nfs/dbraw/zinc/11/72/02/589117202.db2.gz QEJNLQVYVNKBAU-UHFFFAOYSA-N 1 1 249.314 2.065 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cnc(C2CC2)o1 ZINC000862233687 589196386 /nfs/dbraw/zinc/19/63/86/589196386.db2.gz QGCSQWSYQJKBOC-UHFFFAOYSA-N 1 1 204.273 2.007 20 30 BEEDMO C#CC[N@H+](CC)Cc1cnc(C2CC2)o1 ZINC000862233687 589196388 /nfs/dbraw/zinc/19/63/88/589196388.db2.gz QGCSQWSYQJKBOC-UHFFFAOYSA-N 1 1 204.273 2.007 20 30 BEEDMO C#CC[N@H+](Cc1cnc(C)o1)C1CCCC1 ZINC000862250834 589197338 /nfs/dbraw/zinc/19/73/38/589197338.db2.gz QNVMBJIALUNUFC-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO C#CC[N@@H+](Cc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000862250095 589197678 /nfs/dbraw/zinc/19/76/78/589197678.db2.gz DNKAPEUQEBPIHS-UHFFFAOYSA-N 1 1 231.343 2.404 20 30 BEEDMO C#CC[N@H+](Cc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000862250095 589197679 /nfs/dbraw/zinc/19/76/79/589197679.db2.gz DNKAPEUQEBPIHS-UHFFFAOYSA-N 1 1 231.343 2.404 20 30 BEEDMO C#CC[N@@H+](Cc1nc(C)c[nH]1)C1CCCC1 ZINC000862251189 589197757 /nfs/dbraw/zinc/19/77/57/589197757.db2.gz XGCATQHJPWZYQX-UHFFFAOYSA-N 1 1 217.316 2.096 20 30 BEEDMO C#CC[N@H+](Cc1nc(C)c[nH]1)C1CCCC1 ZINC000862251189 589197758 /nfs/dbraw/zinc/19/77/58/589197758.db2.gz XGCATQHJPWZYQX-UHFFFAOYSA-N 1 1 217.316 2.096 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccnc(F)c1C ZINC000862325484 589201087 /nfs/dbraw/zinc/20/10/87/589201087.db2.gz CGCSWDGDAUKJAB-NSHDSACASA-N 1 1 221.279 2.311 20 30 BEEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369286 589203259 /nfs/dbraw/zinc/20/32/59/589203259.db2.gz ROQDPUNFMGWTSO-OLZOCXBDSA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369286 589203260 /nfs/dbraw/zinc/20/32/60/589203260.db2.gz ROQDPUNFMGWTSO-OLZOCXBDSA-N 1 1 236.403 2.497 20 30 BEEDMO Cc1c(F)nccc1C[NH2+]CC1(C#N)CCC1 ZINC000862396267 589208749 /nfs/dbraw/zinc/20/87/49/589208749.db2.gz KCTFTJAGHLEAPF-UHFFFAOYSA-N 1 1 233.290 2.313 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000862403389 589209421 /nfs/dbraw/zinc/20/94/21/589209421.db2.gz ZNBYAORJXRLBTK-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862439960 589212771 /nfs/dbraw/zinc/21/27/71/589212771.db2.gz CLNXHOCAJIDGJM-FPMFFAJLSA-N 1 1 242.322 2.429 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000862442108 589213273 /nfs/dbraw/zinc/21/32/73/589213273.db2.gz AODFDAMAIQOWOY-LBPRGKRZSA-N 1 1 215.296 2.237 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000862443006 589213494 /nfs/dbraw/zinc/21/34/94/589213494.db2.gz KIXFSQQSTPFCFE-GFCCVEGCSA-N 1 1 218.300 2.137 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000862444626 589213979 /nfs/dbraw/zinc/21/39/79/589213979.db2.gz DQQRAHRGMMGCFN-AWEZNQCLSA-N 1 1 245.370 2.365 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000862443735 589214122 /nfs/dbraw/zinc/21/41/22/589214122.db2.gz SVYPRDQAVJFWFQ-ZDUSSCGKSA-N 1 1 241.334 2.467 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCC)n2)C1 ZINC000862444768 589214324 /nfs/dbraw/zinc/21/43/24/589214324.db2.gz GUDKTXSZRDSXOA-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC000862445510 589214841 /nfs/dbraw/zinc/21/48/41/589214841.db2.gz VQHDCRBQQQDBJB-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccnn2CC(C)C)C1 ZINC000862448054 589215236 /nfs/dbraw/zinc/21/52/36/589215236.db2.gz WEEMXTIQVOINBV-AWEZNQCLSA-N 1 1 245.370 2.384 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC)C[C@H](C)CC ZINC000119059982 589237433 /nfs/dbraw/zinc/23/74/33/589237433.db2.gz ASJYNYUPUBJZBQ-LLVKDONJSA-N 1 1 213.321 2.084 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC)C[C@H](C)CC ZINC000119059982 589237434 /nfs/dbraw/zinc/23/74/34/589237434.db2.gz ASJYNYUPUBJZBQ-LLVKDONJSA-N 1 1 213.321 2.084 20 30 BEEDMO C[N@H+]1CCC(=NOCC(F)F)CC1(C)C ZINC000863108838 589257459 /nfs/dbraw/zinc/25/74/59/589257459.db2.gz XUQQPYYLLZHHJL-UHFFFAOYSA-N 1 1 220.263 2.128 20 30 BEEDMO C=CCN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863112423 589258316 /nfs/dbraw/zinc/25/83/16/589258316.db2.gz RPQZXANYLGWNKR-UHFFFAOYSA-N 1 1 239.269 2.140 20 30 BEEDMO CCOC(=O)[C@@H]1CCC(=[NH+]n2cccn2)C[C@@H]1C ZINC000863164814 589266588 /nfs/dbraw/zinc/26/65/88/589266588.db2.gz VYUCNTNEUMRIDO-CMPLNLGQSA-N 1 1 249.314 2.087 20 30 BEEDMO Cc1cn(Cc2ccc(OCC#N)cc2)c(C)[nH+]1 ZINC000865361054 589425750 /nfs/dbraw/zinc/42/57/50/589425750.db2.gz KQYQUOLFPSIBJH-UHFFFAOYSA-N 1 1 241.294 2.451 20 30 BEEDMO CCc1[nH+]c(C)cn1CC1(C#N)CCC1 ZINC000865394697 589431524 /nfs/dbraw/zinc/43/15/24/589431524.db2.gz VHYMJJLYIOTIJW-UHFFFAOYSA-N 1 1 203.289 2.448 20 30 BEEDMO CCc1[nH+]c(C)cn1Cc1nc(C#N)cs1 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C#C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)o1 ZINC000934509658 631890347 /nfs/dbraw/zinc/89/03/47/631890347.db2.gz OWGSYVKDRSZXRZ-NSHDSACASA-N 1 1 247.294 2.054 20 30 BEEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)o1 ZINC000934509657 631890583 /nfs/dbraw/zinc/89/05/83/631890583.db2.gz OWGSYVKDRSZXRZ-LLVKDONJSA-N 1 1 247.294 2.054 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)o1 ZINC000934509657 631890589 /nfs/dbraw/zinc/89/05/89/631890589.db2.gz OWGSYVKDRSZXRZ-LLVKDONJSA-N 1 1 247.294 2.054 20 30 BEEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC000972236511 631891989 /nfs/dbraw/zinc/89/19/89/631891989.db2.gz AWCMNBDFKDIVPQ-ZDUSSCGKSA-N 1 1 248.370 2.061 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1CCCCCOC ZINC000934512127 631894377 /nfs/dbraw/zinc/89/43/77/631894377.db2.gz ZMGAWUFDIAAFNB-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC000934512044 631894545 /nfs/dbraw/zinc/89/45/45/631894545.db2.gz YAANGMCLUCKNSQ-GJZGRUSLSA-N 1 1 247.313 2.347 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](C)O1 ZINC000934516667 631896766 /nfs/dbraw/zinc/89/67/66/631896766.db2.gz NEUSQTFZQFNTTC-UPJWGTAASA-N 1 1 207.317 2.042 20 30 BEEDMO C#C[C@H]1CCCC[N@@H+]1CC[C@@H]1COC(C)(C)O1 ZINC000934515053 631897017 /nfs/dbraw/zinc/89/70/17/631897017.db2.gz GFHWKZZPRSVDRX-QWHCGFSZSA-N 1 1 237.343 2.016 20 30 BEEDMO Cc1cc(C#N)ccc1C[NH+]1CC(O)(C(C)C)C1 ZINC000166236038 631985695 /nfs/dbraw/zinc/98/56/95/631985695.db2.gz SKSNEBFNFRFASR-UHFFFAOYSA-N 1 1 244.338 2.069 20 30 BEEDMO CCC(CC)C[N@H+](CCC#N)CC(OC)OC ZINC000161389793 631987466 /nfs/dbraw/zinc/98/74/66/631987466.db2.gz VKUMRZTXFXVPQT-UHFFFAOYSA-N 1 1 242.363 2.257 20 30 BEEDMO CCC(CC)C[N@@H+](CCC#N)CC(OC)OC ZINC000161389793 631987479 /nfs/dbraw/zinc/98/74/79/631987479.db2.gz VKUMRZTXFXVPQT-UHFFFAOYSA-N 1 1 242.363 2.257 20 30 BEEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccccn1 ZINC000934648018 632001961 /nfs/dbraw/zinc/00/19/61/632001961.db2.gz UKWQHHPRUJWSSK-AWEZNQCLSA-N 1 1 234.343 2.403 20 30 BEEDMO CCn1ccnc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000051923563 632014004 /nfs/dbraw/zinc/01/40/04/632014004.db2.gz OZRBTGHMYDIDMT-UHFFFAOYSA-N 1 1 240.310 2.064 20 30 BEEDMO C[C@]12CSC[C@H]1C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000934765064 632062433 /nfs/dbraw/zinc/06/24/33/632062433.db2.gz BRESLIIZPJUKDC-NDBYEHHHSA-N 1 1 236.384 2.364 20 30 BEEDMO Cn1cc(-c2ccc(C[NH2+]CCC#N)s2)cn1 ZINC000338958709 635819412 /nfs/dbraw/zinc/81/94/12/635819412.db2.gz ULKVRCCLZHFZFG-UHFFFAOYSA-N 1 1 246.339 2.152 20 30 BEEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)o1)[C@@H]1CCCO1 ZINC000309520474 632468639 /nfs/dbraw/zinc/46/86/39/632468639.db2.gz BGUOWXJLSKCYBZ-QWRGUYRKSA-N 1 1 239.702 2.203 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1C ZINC000235361547 632677820 /nfs/dbraw/zinc/67/78/20/632677820.db2.gz QUVMETARRYZOPW-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000235361547 632677825 /nfs/dbraw/zinc/67/78/25/632677825.db2.gz QUVMETARRYZOPW-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000235361547 632677828 /nfs/dbraw/zinc/67/78/28/632677828.db2.gz QUVMETARRYZOPW-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000310852757 633011145 /nfs/dbraw/zinc/01/11/45/633011145.db2.gz RSCMFDHORBCMAL-UKRRQHHQSA-N 1 1 244.338 2.405 20 30 BEEDMO CC(C)(C)CCNN=C1CC[N@H+]2CCC[C@H]12 ZINC000782902411 633030909 /nfs/dbraw/zinc/03/09/09/633030909.db2.gz AHFZGOKYAWMJAF-GFCCVEGCSA-N 1 1 223.364 2.236 20 30 BEEDMO CCCCCCCC(=O)NCC(F)(F)C[NH3+] ZINC000164889132 633084623 /nfs/dbraw/zinc/08/46/23/633084623.db2.gz ZWRQZCIQURBCSF-UHFFFAOYSA-N 1 1 236.306 2.057 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(C)=O)C1 ZINC001025306357 633098139 /nfs/dbraw/zinc/09/81/39/633098139.db2.gz DTKHPUBUDFTKBR-JSGCOSHPSA-N 1 1 238.375 2.189 20 30 BEEDMO C#CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000169044468 633153101 /nfs/dbraw/zinc/15/31/01/633153101.db2.gz PWNGSBQVJVZMRI-UHFFFAOYSA-N 1 1 234.387 2.350 20 30 BEEDMO C[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1O ZINC000309501910 633181429 /nfs/dbraw/zinc/18/14/29/633181429.db2.gz VCMBKELUKMRPCB-SECBINFHSA-N 1 1 222.263 2.486 20 30 BEEDMO CN(Cc1csc(C#N)c1)C[C@H]1CCC[N@H+]1C ZINC000894980113 636011594 /nfs/dbraw/zinc/01/15/94/636011594.db2.gz CSRPUHDWJZEGLN-GFCCVEGCSA-N 1 1 249.383 2.146 20 30 BEEDMO NC(=[NH+]OCc1ccon1)C1CCCCCC1 ZINC000179004236 636061673 /nfs/dbraw/zinc/06/16/73/636061673.db2.gz HNTRQYQGKVJHKF-UHFFFAOYSA-N 1 1 237.303 2.434 20 30 BEEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccnnc1 ZINC000926874608 633759705 /nfs/dbraw/zinc/75/97/05/633759705.db2.gz RIYJZKNQVIVWCV-LLVKDONJSA-N 1 1 230.315 2.211 20 30 BEEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000895598837 636163321 /nfs/dbraw/zinc/16/33/21/636163321.db2.gz VSIFPAYYGXLLME-SRVKXCTJSA-N 1 1 225.332 2.130 20 30 BEEDMO C=C[C@@H](CC)CC(=O)OCCn1cc[nH+]c1C ZINC000909525935 636167531 /nfs/dbraw/zinc/16/75/31/636167531.db2.gz SNDPEFHHHKUCJU-LBPRGKRZSA-N 1 1 236.315 2.337 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC000930886050 634151582 /nfs/dbraw/zinc/15/15/82/634151582.db2.gz QIJLVOBKUFQJGJ-ZBFHGGJFSA-N 1 1 243.350 2.374 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(COC2)O1 ZINC000931061988 634207224 /nfs/dbraw/zinc/20/72/24/634207224.db2.gz GDGLUWMFDKPYDE-MJBXVCDLSA-N 1 1 249.354 2.117 20 30 BEEDMO CC(C)(CCC#N)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925671405 634253690 /nfs/dbraw/zinc/25/36/90/634253690.db2.gz DHIFAJSKBDJJRH-GFCCVEGCSA-N 1 1 235.375 2.191 20 30 BEEDMO C=CC(C)(C)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925683755 634292247 /nfs/dbraw/zinc/29/22/47/634292247.db2.gz VPLBSTWUJYLHDK-LLVKDONJSA-N 1 1 208.349 2.073 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000893552234 635148821 /nfs/dbraw/zinc/14/88/21/635148821.db2.gz SIJMPPXLNFGPOP-UHFFFAOYSA-N 1 1 232.331 2.247 20 30 BEEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1C ZINC000258876520 635217371 /nfs/dbraw/zinc/21/73/71/635217371.db2.gz ILPMQPLQMJMLAN-UHFFFAOYSA-N 1 1 230.311 2.397 20 30 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C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC000989887514 636890353 /nfs/dbraw/zinc/89/03/53/636890353.db2.gz HLYMYQZTBPLZNL-DZGCQCFKSA-N 1 1 248.370 2.086 20 30 BEEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC3)CCC[C@H]12 ZINC000989891635 636890924 /nfs/dbraw/zinc/89/09/24/636890924.db2.gz AOAKWWDIILWXCY-DZGCQCFKSA-N 1 1 248.370 2.086 20 30 BEEDMO C=CCCCOC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923891210 637003864 /nfs/dbraw/zinc/00/38/64/637003864.db2.gz XPFFXHSFABOLRC-GFCCVEGCSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(CC)COC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000923890833 637005669 /nfs/dbraw/zinc/00/56/69/637005669.db2.gz UXNAKANVAPXUDL-GFCCVEGCSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc(CC2CC2)no1 ZINC000904550984 637435887 /nfs/dbraw/zinc/43/58/87/637435887.db2.gz IWZGADYOZLDXLA-JTQLQIEISA-N 1 1 221.304 2.378 20 30 BEEDMO C=C(CC)Cn1cc(C[N@H+](C)C(C)C)nn1 ZINC000905057443 637592911 /nfs/dbraw/zinc/59/29/11/637592911.db2.gz PIOOJIHPOISHON-UHFFFAOYSA-N 1 1 222.336 2.085 20 30 BEEDMO C=C(CC)Cn1cc(C[N@@H+](C)C(C)C)nn1 ZINC000905057443 637592918 /nfs/dbraw/zinc/59/29/18/637592918.db2.gz PIOOJIHPOISHON-UHFFFAOYSA-N 1 1 222.336 2.085 20 30 BEEDMO C#CCC1(c2nc(C3([NH3+])CC3)no2)CCCCC1 ZINC000905324776 637753577 /nfs/dbraw/zinc/75/35/77/637753577.db2.gz FTSGSFBFIKXBJM-UHFFFAOYSA-N 1 1 245.326 2.243 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC)CC(CC)CC ZINC000148951867 637795410 /nfs/dbraw/zinc/79/54/10/637795410.db2.gz JXESTFATVPGWMX-UHFFFAOYSA-N 1 1 227.348 2.474 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC)CC(CC)CC ZINC000148951867 637795415 /nfs/dbraw/zinc/79/54/15/637795415.db2.gz JXESTFATVPGWMX-UHFFFAOYSA-N 1 1 227.348 2.474 20 30 BEEDMO C=CC[C@H]([NH2+]CCC=C(C)C)C(=O)OC ZINC000905762077 637915816 /nfs/dbraw/zinc/91/58/16/637915816.db2.gz GPGURTKYVBGXCR-NSHDSACASA-N 1 1 211.305 2.050 20 30 BEEDMO C=CC[C@@H]([NH2+]CC1(C)CC(F)(F)C1)C(=O)OC ZINC000905776244 637905946 /nfs/dbraw/zinc/90/59/46/637905946.db2.gz HVEQWFMMURLJMV-SECBINFHSA-N 1 1 247.285 2.129 20 30 BEEDMO 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/nfs/dbraw/zinc/39/38/50/969393850.db2.gz MFNWKOXSYYRQBW-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)/C(C)=C/C ZINC001754479107 1166380230 /nfs/dbraw/zinc/38/02/30/1166380230.db2.gz UGEFBPMCAGYSIZ-YFTXEMMHSA-N 1 1 236.359 2.109 20 30 BEEDMO COCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209218657 969406086 /nfs/dbraw/zinc/40/60/86/969406086.db2.gz KQPLEIUXPVTJIK-XYYAHUGASA-N 1 1 222.332 2.180 20 30 BEEDMO COC1CCC(C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001209395776 969461189 /nfs/dbraw/zinc/46/11/89/969461189.db2.gz LZUONMFFOIPBPD-CPCZMJQVSA-N 1 1 222.332 2.037 20 30 BEEDMO C=CCCCCCC[N@H+](C)CC(=O)NCC ZINC001209430929 969499977 /nfs/dbraw/zinc/49/99/77/969499977.db2.gz DRSXIEYPECCOET-UHFFFAOYSA-N 1 1 226.364 2.191 20 30 BEEDMO C#CC[N@@H+](C)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209756426 969606348 /nfs/dbraw/zinc/60/63/48/969606348.db2.gz ZHSQCIVGFVHBLD-UHFFFAOYSA-N 1 1 233.702 2.281 20 30 BEEDMO C#CC[N@H+](C)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209756426 969606355 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/nfs/dbraw/zinc/77/20/94/969772094.db2.gz IRILFGPFBXVEHN-BDAKNGLRSA-N 1 1 214.259 2.408 20 30 BEEDMO CO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254678471 969783878 /nfs/dbraw/zinc/78/38/78/969783878.db2.gz FCXBRNOZOHXUCR-MROQNXINSA-N 1 1 222.332 2.178 20 30 BEEDMO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254678478 969783065 /nfs/dbraw/zinc/78/30/65/969783065.db2.gz FCXBRNOZOHXUCR-YVECIDJPSA-N 1 1 222.332 2.178 20 30 BEEDMO C[C@@H]1C[C@@H](C[N@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000724865953 1166536858 /nfs/dbraw/zinc/53/68/58/1166536858.db2.gz XYJHKIXUPAVEMA-CRWXNKLISA-N 1 1 236.359 2.426 20 30 BEEDMO CC[C@@H](CC#N)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001255161249 969968839 /nfs/dbraw/zinc/96/88/39/969968839.db2.gz WQMRSZCBTWDWLT-QWHCGFSZSA-N 1 1 235.375 2.285 20 30 BEEDMO CC[C@@H](CC#N)[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001255167316 969981488 /nfs/dbraw/zinc/98/14/88/969981488.db2.gz YHCUMMCJLFVFHY-WCQYABFASA-N 1 1 224.348 2.162 20 30 BEEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001752394325 1166569706 /nfs/dbraw/zinc/56/97/06/1166569706.db2.gz ASKFCEDLOFPDBW-GFCCVEGCSA-N 1 1 238.375 2.188 20 30 BEEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC001699438352 1166720361 /nfs/dbraw/zinc/72/03/61/1166720361.db2.gz PZWORHPKKPJWNZ-QWHCGFSZSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CCCCCC[N@H+](C)[C@@H](C)CNC(C)=O ZINC001755288463 1166872735 /nfs/dbraw/zinc/87/27/35/1166872735.db2.gz VBLLGGAMIJWOJJ-LBPRGKRZSA-N 1 1 226.364 2.189 20 30 BEEDMO CC[C@H]1C[C@@H]([N@@H+](CC)CCC#N)CCO1 ZINC001170224730 970625207 /nfs/dbraw/zinc/62/52/07/970625207.db2.gz VLSQSWATIRIDDC-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001170225861 970628789 /nfs/dbraw/zinc/62/87/89/970628789.db2.gz CSBIOIDCUSAYSW-YNEHKIRRSA-N 1 1 222.332 2.180 20 30 BEEDMO Cc1cc(NCC(C)(C)S)nc(C)[nH+]1 ZINC001170301684 970690191 /nfs/dbraw/zinc/69/01/91/970690191.db2.gz BBYIWTAHMIVWNY-UHFFFAOYSA-N 1 1 211.334 2.214 20 30 BEEDMO C[N@H+]1CC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC000304474599 1166921297 /nfs/dbraw/zinc/92/12/97/1166921297.db2.gz GDGYZGDFARMRAI-LLVKDONJSA-N 1 1 236.702 2.295 20 30 BEEDMO C=CCOC1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC001173322015 975269055 /nfs/dbraw/zinc/26/90/55/975269055.db2.gz VDJYXNFUSNSUAF-IYXRBSQSSA-N 1 1 239.359 2.221 20 30 BEEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cn1)C(C)C ZINC000383677097 1167149454 /nfs/dbraw/zinc/14/94/54/1167149454.db2.gz XURMWGKVDHFYCZ-UHFFFAOYSA-N 1 1 248.326 2.265 20 30 BEEDMO CC[N@@H+](CCC#N)[C@@H](C)CCCCC(=O)OC ZINC001173455858 975397309 /nfs/dbraw/zinc/39/73/09/975397309.db2.gz VQHGZOYLOTXDFR-LBPRGKRZSA-N 1 1 240.347 2.344 20 30 BEEDMO C=CC[C@H]([NH2+][C@H](C)C(C)C)C(=O)OCC ZINC000309043401 1167243411 /nfs/dbraw/zinc/24/34/11/1167243411.db2.gz MTWGMYJNKADAPV-MNOVXSKESA-N 1 1 213.321 2.128 20 30 BEEDMO C=C[C@@H](COC)[NH2+]Cc1cc(F)ccc1F ZINC000309406247 1167300510 /nfs/dbraw/zinc/30/05/10/1167300510.db2.gz AXGZWTFZALUUKV-NSHDSACASA-N 1 1 227.254 2.255 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC001088518631 1167414937 /nfs/dbraw/zinc/41/49/37/1167414937.db2.gz PLBZYPGARIUGTM-OCCSQVGLSA-N 1 1 248.370 2.252 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682637 977293677 /nfs/dbraw/zinc/29/36/77/977293677.db2.gz WYNIIXYTESXKLV-ZDUSSCGKSA-N 1 1 236.359 2.061 20 30 BEEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000381149376 1167533350 /nfs/dbraw/zinc/53/33/50/1167533350.db2.gz AFDOOZCGHKOXKN-GXSJLCMTSA-N 1 1 224.279 2.072 20 30 BEEDMO C[C@@H](CCC#N)C[NH+]1CCN(C(C)(C)C)CC1 ZINC001336723054 977882974 /nfs/dbraw/zinc/88/29/74/977882974.db2.gz XBIUBMFMZGECFF-ZDUSSCGKSA-N 1 1 237.391 2.342 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232270163 977988187 /nfs/dbraw/zinc/98/81/87/977988187.db2.gz WCEPJOOWSNFIJZ-UHFFFAOYSA-N 1 1 239.702 2.119 20 30 BEEDMO CCCCCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000157329915 1167646641 /nfs/dbraw/zinc/64/66/41/1167646641.db2.gz JKWZMIKMZRJCDA-GFCCVEGCSA-N 1 1 226.364 2.297 20 30 BEEDMO C#C[C@@H](C)[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000381470172 1167650942 /nfs/dbraw/zinc/65/09/42/1167650942.db2.gz MHDLAEUGLBGWMC-VHSXEESVSA-N 1 1 234.368 2.379 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232675138 978245891 /nfs/dbraw/zinc/24/58/91/978245891.db2.gz LVJQITBOIIMKHR-SNVBAGLBSA-N 1 1 218.300 2.494 20 30 BEEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC)CC(C)(C)C1 ZINC001089283287 1167729035 /nfs/dbraw/zinc/72/90/35/1167729035.db2.gz JXPGJJWBCAAUGE-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCCCCCN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235259571 1167784794 /nfs/dbraw/zinc/78/47/94/1167784794.db2.gz MJCIFIZCWOJVJL-UONOGXRCSA-N 1 1 222.376 2.417 20 30 BEEDMO C=CC[N@@H+](C)CCCNC(=O)CC(C)(C)C ZINC001234004962 978750368 /nfs/dbraw/zinc/75/03/68/978750368.db2.gz DMDBHKWYIDXFIN-UHFFFAOYSA-N 1 1 226.364 2.047 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128146 978781733 /nfs/dbraw/zinc/78/17/33/978781733.db2.gz ATDMIBGQIWSZPC-KXXVWKPMSA-N 1 1 236.359 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ZINC000559459556 398328845 /nfs/dbraw/zinc/32/88/45/398328845.db2.gz VKZZHYWBSOGOMF-UHFFFAOYSA-N 1 1 238.718 2.199 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000602651123 349659625 /nfs/dbraw/zinc/65/96/25/349659625.db2.gz FXHVCPDFKVOAPW-ZJUUUORDSA-N 1 1 232.274 2.240 20 30 BEEDMO CC#CC[N@H+](C)Cc1cnc(OC)c(Cl)c1 ZINC000559459556 398328849 /nfs/dbraw/zinc/32/88/49/398328849.db2.gz VKZZHYWBSOGOMF-UHFFFAOYSA-N 1 1 238.718 2.199 20 30 BEEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000495198027 529441879 /nfs/dbraw/zinc/44/18/79/529441879.db2.gz ZSOZGWYQPVTEMQ-HNNXBMFYSA-N 1 1 244.338 2.099 20 30 BEEDMO C=C(C)CC[N@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000351722589 136249634 /nfs/dbraw/zinc/24/96/34/136249634.db2.gz VURDPXFWFLULIP-OLZOCXBDSA-N 1 1 210.365 2.367 20 30 BEEDMO C=C(C)CCN1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000351722589 136249635 /nfs/dbraw/zinc/24/96/35/136249635.db2.gz VURDPXFWFLULIP-OLZOCXBDSA-N 1 1 210.365 2.367 20 30 BEEDMO C=C(C)CCN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000351722589 136249636 /nfs/dbraw/zinc/24/96/36/136249636.db2.gz VURDPXFWFLULIP-OLZOCXBDSA-N 1 1 210.365 2.367 20 30 BEEDMO C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000602677218 349670001 /nfs/dbraw/zinc/67/00/01/349670001.db2.gz WZWFGFIYYUCEMV-GJZGRUSLSA-N 1 1 249.402 2.344 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000602677218 349670003 /nfs/dbraw/zinc/67/00/03/349670003.db2.gz WZWFGFIYYUCEMV-GJZGRUSLSA-N 1 1 249.402 2.344 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)CC(C)(C)C#N ZINC000602676709 349670202 /nfs/dbraw/zinc/67/02/02/349670202.db2.gz VIGYPAKGOPGRQI-LLVKDONJSA-N 1 1 207.321 2.408 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000560239484 398333081 /nfs/dbraw/zinc/33/30/81/398333081.db2.gz VLXSHUBKCWLCNR-AWEZNQCLSA-N 1 1 241.375 2.470 20 30 BEEDMO C[C@@H](CCC#N)C[NH2+]C1(C(F)F)CC1 ZINC000602658632 349663431 /nfs/dbraw/zinc/66/34/31/349663431.db2.gz MNADEHFGIZHULX-QMMMGPOBSA-N 1 1 202.248 2.314 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000602628047 349664149 /nfs/dbraw/zinc/66/41/49/349664149.db2.gz GSXFGAGNIXNNFR-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000602628045 349664291 /nfs/dbraw/zinc/66/42/91/349664291.db2.gz GSXFGAGNIXNNFR-NEPJUHHUSA-N 1 1 224.348 2.019 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000602629310 349665183 /nfs/dbraw/zinc/66/51/83/349665183.db2.gz MKPXLRNGBKKWFZ-YVECIDJPSA-N 1 1 224.348 2.424 20 30 BEEDMO C=CC[N@H+](CCOC)C[C@@H](C)CCC#N ZINC000602629404 349665208 /nfs/dbraw/zinc/66/52/08/349665208.db2.gz GFTAOEZCPORZLY-LBPRGKRZSA-N 1 1 210.321 2.061 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000602685757 349677192 /nfs/dbraw/zinc/67/71/92/349677192.db2.gz KWIQRQZWSBKAAH-CHWSQXEVSA-N 1 1 224.348 2.021 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)C[C@@H](C)CCC#N ZINC000602680140 349672574 /nfs/dbraw/zinc/67/25/74/349672574.db2.gz JRWLRATWRFBEGD-NWDGAFQWSA-N 1 1 212.337 2.019 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)C[C@H](C)CCC#N ZINC000602680142 349672586 /nfs/dbraw/zinc/67/25/86/349672586.db2.gz JRWLRATWRFBEGD-VXGBXAGGSA-N 1 1 212.337 2.019 20 30 BEEDMO CC[C@H](C)[N@@H+](CCO)C[C@H](C)CCC#N ZINC000602680139 349672806 /nfs/dbraw/zinc/67/28/06/349672806.db2.gz JRWLRATWRFBEGD-NEPJUHHUSA-N 1 1 212.337 2.019 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000351759765 136252244 /nfs/dbraw/zinc/25/22/44/136252244.db2.gz SUILSJHKOYNFHO-OLZOCXBDSA-N 1 1 209.333 2.311 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000351759764 136252260 /nfs/dbraw/zinc/25/22/60/136252260.db2.gz SUILSJHKOYNFHO-CHWSQXEVSA-N 1 1 209.333 2.311 20 30 BEEDMO Cc1nnc(C[N@@H+](C)C[C@@H](C)CCC#N)s1 ZINC000602717970 349686590 /nfs/dbraw/zinc/68/65/90/349686590.db2.gz RGALKEIJAUJRBQ-VIFPVBQESA-N 1 1 238.360 2.218 20 30 BEEDMO Cc1nnc(C[N@H+](C)C[C@@H](C)CCC#N)s1 ZINC000602717970 349686592 /nfs/dbraw/zinc/68/65/92/349686592.db2.gz RGALKEIJAUJRBQ-VIFPVBQESA-N 1 1 238.360 2.218 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000351759766 136252737 /nfs/dbraw/zinc/25/27/37/136252737.db2.gz SUILSJHKOYNFHO-QWHCGFSZSA-N 1 1 209.333 2.311 20 30 BEEDMO CO[C@](C)(C[N@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000602718934 349687471 /nfs/dbraw/zinc/68/74/71/349687471.db2.gz UEBZWSSCSKFATE-QWHCGFSZSA-N 1 1 222.332 2.037 20 30 BEEDMO CC(C)C[C@@H](CO)[N@@H+](C)C[C@H](C)CCC#N ZINC000602663558 349682859 /nfs/dbraw/zinc/68/28/59/349682859.db2.gz CXUFPUWWXGNWDK-OLZOCXBDSA-N 1 1 226.364 2.265 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000602665677 349683659 /nfs/dbraw/zinc/68/36/59/349683659.db2.gz XLIRIHCGRMCRMR-VXGBXAGGSA-N 1 1 210.321 2.037 20 30 BEEDMO C=C(C)CC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000351817542 136254995 /nfs/dbraw/zinc/25/49/95/136254995.db2.gz WOTXCQVOROCIJH-AWEZNQCLSA-N 1 1 239.359 2.080 20 30 BEEDMO COc1cccc(C)c1C[NH+]1CC(CC#N)C1 ZINC000602705625 349699182 /nfs/dbraw/zinc/69/91/82/349699182.db2.gz BGBLDNDHJMHGMR-UHFFFAOYSA-N 1 1 230.311 2.349 20 30 BEEDMO N#CC[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000602704928 349699253 /nfs/dbraw/zinc/69/92/53/349699253.db2.gz IBADGILYJRLKTB-SNVBAGLBSA-N 1 1 221.329 2.269 20 30 BEEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000602704928 349699258 /nfs/dbraw/zinc/69/92/58/349699258.db2.gz IBADGILYJRLKTB-SNVBAGLBSA-N 1 1 221.329 2.269 20 30 BEEDMO COC1CC([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000352229884 536717937 /nfs/dbraw/zinc/71/79/37/536717937.db2.gz GTSNYCRYMSSJIR-UHFFFAOYSA-N 1 1 248.301 2.307 20 30 BEEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCCOC1 ZINC000602700404 349695929 /nfs/dbraw/zinc/69/59/29/349695929.db2.gz UJQJKLGLOJFDGY-CHWSQXEVSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000351817198 136255511 /nfs/dbraw/zinc/25/55/11/136255511.db2.gz VMQVNXJLXQNVHT-SMDDNHRTSA-N 1 1 249.741 2.004 20 30 BEEDMO CC(C)O[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602702273 349697249 /nfs/dbraw/zinc/69/72/49/349697249.db2.gz QFMQYFBAVYJPKR-QWHCGFSZSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](CCC#N)C[N@@H+](C)CCN1CCCCC1 ZINC000602704730 349698235 /nfs/dbraw/zinc/69/82/35/349698235.db2.gz HKPJHCBCKOGJQQ-CQSZACIVSA-N 1 1 237.391 2.344 20 30 BEEDMO C[C@H](CCC#N)CN(C)CC[NH+]1CCCCC1 ZINC000602704730 349698239 /nfs/dbraw/zinc/69/82/39/349698239.db2.gz HKPJHCBCKOGJQQ-CQSZACIVSA-N 1 1 237.391 2.344 20 30 BEEDMO CC[C@H](C)[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)OC ZINC000602716784 349707397 /nfs/dbraw/zinc/70/73/97/349707397.db2.gz DIDWWASJHJDSHG-YNEHKIRRSA-N 1 1 224.348 2.283 20 30 BEEDMO CC[C@]1(O)CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602739089 349709249 /nfs/dbraw/zinc/70/92/49/349709249.db2.gz IOZFMLNBTZZGEP-STQMWFEESA-N 1 1 224.348 2.163 20 30 BEEDMO CCOC1CC(C[N@@H+](CC)C[C@H](C)C#N)C1 ZINC000351853441 136258358 /nfs/dbraw/zinc/25/83/58/136258358.db2.gz DPUNPEIQIHBZPW-PNESKVBLSA-N 1 1 224.348 2.283 20 30 BEEDMO C=C(C)C[C@H]([NH2+][C@H]1CC[C@H]1CC)C(=O)OC ZINC000602732438 349718019 /nfs/dbraw/zinc/71/80/19/349718019.db2.gz CAQHIVMDLCZRBW-WOPDTQHZSA-N 1 1 225.332 2.272 20 30 BEEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CC=CCC1)C(=O)OC ZINC000602732753 349718063 /nfs/dbraw/zinc/71/80/63/349718063.db2.gz DJIIASMWIURDQO-OLZOCXBDSA-N 1 1 237.343 2.440 20 30 BEEDMO CCN1CC[C@H]([N@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737661 /nfs/dbraw/zinc/73/76/61/349737661.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 1 1 249.402 2.342 20 30 BEEDMO CCN1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737663 /nfs/dbraw/zinc/73/76/63/349737663.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 1 1 249.402 2.342 20 30 BEEDMO CC[N@@H+]1CC[C@H](N(C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737665 /nfs/dbraw/zinc/73/76/65/349737665.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 1 1 249.402 2.342 20 30 BEEDMO CC[N@H+]1CC[C@H](N(C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737668 /nfs/dbraw/zinc/73/76/68/349737668.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 1 1 249.402 2.342 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCO[C@@H]1C)C1CC1 ZINC000602799627 349740912 /nfs/dbraw/zinc/74/09/12/349740912.db2.gz 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/nfs/dbraw/zinc/74/51/93/349745193.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 1 1 235.375 2.095 20 30 BEEDMO CC[N@H+]1CC[C@@H](N(C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746198 /nfs/dbraw/zinc/74/61/98/349746198.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746209 /nfs/dbraw/zinc/74/62/09/349746209.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746213 /nfs/dbraw/zinc/74/62/13/349746213.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 1 1 249.402 2.485 20 30 BEEDMO CC[N@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602775816 349728229 /nfs/dbraw/zinc/72/82/29/349728229.db2.gz BHRBLNRLTDWNGW-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC000602775816 349728232 /nfs/dbraw/zinc/72/82/32/349728232.db2.gz BHRBLNRLTDWNGW-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCCC(C)(C)[C@@H]1C#N 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C[C@@H]1CC[C@@](CO)([N@@H+](C)CC2(CC#N)CC2)C1 ZINC000602811578 349755525 /nfs/dbraw/zinc/75/55/25/349755525.db2.gz NBQLNSJPROZHMW-TZMCWYRMSA-N 1 1 236.359 2.163 20 30 BEEDMO C=CCC[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602815595 349757409 /nfs/dbraw/zinc/75/74/09/349757409.db2.gz MFVSYSUKTYUTHM-SECBINFHSA-N 1 1 238.287 2.030 20 30 BEEDMO C=CCC[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602815595 349757412 /nfs/dbraw/zinc/75/74/12/349757412.db2.gz MFVSYSUKTYUTHM-SECBINFHSA-N 1 1 238.287 2.030 20 30 BEEDMO C=CCC[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602815596 349758080 /nfs/dbraw/zinc/75/80/80/349758080.db2.gz MFVSYSUKTYUTHM-VIFPVBQESA-N 1 1 238.287 2.030 20 30 BEEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602815596 349758083 /nfs/dbraw/zinc/75/80/83/349758083.db2.gz MFVSYSUKTYUTHM-VIFPVBQESA-N 1 1 238.287 2.030 20 30 BEEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C2(CCC2)CO1 ZINC000602861554 349772904 /nfs/dbraw/zinc/77/29/04/349772904.db2.gz BOVACOVZRNPVOB-GFCCVEGCSA-N 1 1 234.343 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Cc1cccc(NCc2nc(C#N)cs2)[nH+]1 ZINC000336727889 179151754 /nfs/dbraw/zinc/15/17/54/179151754.db2.gz GYRJYCJOMSAKIM-UHFFFAOYSA-N 1 1 230.296 2.330 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000590158600 346782995 /nfs/dbraw/zinc/78/29/95/346782995.db2.gz DSTZXWKNIYLLSE-MCIONIFRSA-N 1 1 244.342 2.212 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590173269 346787075 /nfs/dbraw/zinc/78/70/75/346787075.db2.gz ZITVGZDPHALASU-YNEHKIRRSA-N 1 1 217.316 2.304 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590173269 346787079 /nfs/dbraw/zinc/78/70/79/346787079.db2.gz ZITVGZDPHALASU-YNEHKIRRSA-N 1 1 217.316 2.304 20 30 BEEDMO CO[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590173417 346788011 /nfs/dbraw/zinc/78/80/11/346788011.db2.gz MIAZNRMUAZYNLG-YNEHKIRRSA-N 1 1 222.332 2.180 20 30 BEEDMO COC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1C ZINC000590186866 346789322 /nfs/dbraw/zinc/78/93/22/346789322.db2.gz PKCGGTXZCGEQFQ-AWEZNQCLSA-N 1 1 230.311 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C=C(C)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432133 347422861 /nfs/dbraw/zinc/42/28/61/347422861.db2.gz AQTWHOBTCDRYEP-ZDUSSCGKSA-N 1 1 209.333 2.454 20 30 BEEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000301942646 347443173 /nfs/dbraw/zinc/44/31/73/347443173.db2.gz HTEPLRUUISHWJR-GFCCVEGCSA-N 1 1 238.375 2.409 20 30 BEEDMO C=CCC[N@H+](C)Cc1cc(OC)ccn1 ZINC000276359722 166259782 /nfs/dbraw/zinc/25/97/82/166259782.db2.gz FQFWZMNGRHPBIK-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000364511875 347461179 /nfs/dbraw/zinc/46/11/79/347461179.db2.gz QVNOIAGICQYZON-ZDUSSCGKSA-N 1 1 236.359 2.427 20 30 BEEDMO C=C(C)C[N@@H+](C)C1CCN(CCC)CC1 ZINC000109788077 347465690 /nfs/dbraw/zinc/46/56/90/347465690.db2.gz HFXKDTDPQRLHGM-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(C)C[N@H+](C)C1CCN(CCC)CC1 ZINC000109788077 347465692 /nfs/dbraw/zinc/46/56/92/347465692.db2.gz HFXKDTDPQRLHGM-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCCC[C@@H](SC)C1 ZINC000590707612 347498007 /nfs/dbraw/zinc/49/80/07/347498007.db2.gz MHTTUOUUCADYOM-NEPJUHHUSA-N 1 1 229.389 2.141 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCCC[C@H](SC)C1 ZINC000590707615 347498233 /nfs/dbraw/zinc/49/82/33/347498233.db2.gz MHTTUOUUCADYOM-RYUDHWBXSA-N 1 1 229.389 2.141 20 30 BEEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCC[C@H]1O ZINC000590602099 347476101 /nfs/dbraw/zinc/47/61/01/347476101.db2.gz FLOVEFMAGDAIRG-ZIAGYGMSSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCOCCC#N ZINC000590764452 347529224 /nfs/dbraw/zinc/52/92/24/347529224.db2.gz CQPIPTHIJBFUSV-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765005 347529981 /nfs/dbraw/zinc/52/99/81/347529981.db2.gz HCDYUDUEDVYZOX-GEJOOGBSSA-N 1 1 249.354 2.082 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591013252 347606346 /nfs/dbraw/zinc/60/63/46/347606346.db2.gz OPEIRYYNMPJLLG-CHWSQXEVSA-N 1 1 232.331 2.212 20 30 BEEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000338563156 166264928 /nfs/dbraw/zinc/26/49/28/166264928.db2.gz JCQFUXFMQBTMLC-CYBMUJFWSA-N 1 1 209.333 2.454 20 30 BEEDMO CO[C@H](C[NH2+][C@H](C)CC#N)Cc1ccccc1 ZINC000590799491 347701233 /nfs/dbraw/zinc/70/12/33/347701233.db2.gz BJSWKSZFHLNOOO-OCCSQVGLSA-N 1 1 232.327 2.136 20 30 BEEDMO CO[C@H](C[NH2+][C@@H](C)CC#N)Cc1ccccc1 ZINC000590799490 347701382 /nfs/dbraw/zinc/70/13/82/347701382.db2.gz BJSWKSZFHLNOOO-JSGCOSHPSA-N 1 1 232.327 2.136 20 30 BEEDMO CCc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C)[nH+]1 ZINC000591826494 347701892 /nfs/dbraw/zinc/70/18/92/347701892.db2.gz HEHRAZQIBWRUDL-CMPLNLGQSA-N 1 1 230.315 2.452 20 30 BEEDMO CC(C)c1[nH+]ccn1Cc1ccncc1C#N ZINC000592348703 347770431 /nfs/dbraw/zinc/77/04/31/347770431.db2.gz WBPAAMIOTLCVFZ-UHFFFAOYSA-N 1 1 226.283 2.321 20 30 BEEDMO CC(C)C[N@@H+](C)Cc1ccncc1C#N ZINC000592064449 347726250 /nfs/dbraw/zinc/72/62/50/347726250.db2.gz FBMZKWNMYNLMMZ-UHFFFAOYSA-N 1 1 203.289 2.041 20 30 BEEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000592067202 347726729 /nfs/dbraw/zinc/72/67/29/347726729.db2.gz RTALPBPAWHXJTE-CQSZACIVSA-N 1 1 227.311 2.328 20 30 BEEDMO CC[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072297 347728540 /nfs/dbraw/zinc/72/85/40/347728540.db2.gz SZIPXTWJMMCUIO-NSHDSACASA-N 1 1 215.300 2.185 20 30 BEEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072697 347729027 /nfs/dbraw/zinc/72/90/27/347729027.db2.gz WVGBQTNZVIYYNE-GFCCVEGCSA-N 1 1 229.327 2.431 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C[C@@H]1C ZINC000592090438 347731501 /nfs/dbraw/zinc/73/15/01/347731501.db2.gz SXWMMFZQCDUOTR-NEPJUHHUSA-N 1 1 229.327 2.431 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1ccncc1C#N ZINC000592056071 347731928 /nfs/dbraw/zinc/73/19/28/347731928.db2.gz TUCBEXOAPNJMBI-UHFFFAOYSA-N 1 1 215.300 2.351 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1ccncc1C#N ZINC000592056071 347731932 /nfs/dbraw/zinc/73/19/32/347731932.db2.gz TUCBEXOAPNJMBI-UHFFFAOYSA-N 1 1 215.300 2.351 20 30 BEEDMO CC(C)[N@H+](Cc1ccncc1C#N)C1CC1 ZINC000592060515 347732662 /nfs/dbraw/zinc/73/26/62/347732662.db2.gz ROKRXGISASKQDV-UHFFFAOYSA-N 1 1 215.300 2.326 20 30 BEEDMO CC(C)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592060515 347732664 /nfs/dbraw/zinc/73/26/64/347732664.db2.gz ROKRXGISASKQDV-UHFFFAOYSA-N 1 1 215.300 2.326 20 30 BEEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592125105 347738527 /nfs/dbraw/zinc/73/85/27/347738527.db2.gz PSDKTTWVLLWEJG-GRYCIOLGSA-N 1 1 229.327 2.430 20 30 BEEDMO CC(C)(C)CCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150248 347742066 /nfs/dbraw/zinc/74/20/66/347742066.db2.gz BNAGUFMTHTVVOT-CYBMUJFWSA-N 1 1 224.348 2.163 20 30 BEEDMO CCc1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154550 347744407 /nfs/dbraw/zinc/74/44/07/347744407.db2.gz TYYQACFVJQJVIN-HNNXBMFYSA-N 1 1 244.338 2.099 20 30 BEEDMO N#CC[C@]1(O)CC[N@@H+](CCC2=CCCCC2)C1 ZINC000592155238 347745575 /nfs/dbraw/zinc/74/55/75/347745575.db2.gz YXTRDOQIYOPERM-AWEZNQCLSA-N 1 1 234.343 2.227 20 30 BEEDMO C=CC[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047984 347844059 /nfs/dbraw/zinc/84/40/59/347844059.db2.gz GAHFQZVEORXLMH-GHMZBOCLSA-N 1 1 225.332 2.367 20 30 BEEDMO C=CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047984 347844062 /nfs/dbraw/zinc/84/40/62/347844062.db2.gz GAHFQZVEORXLMH-GHMZBOCLSA-N 1 1 225.332 2.367 20 30 BEEDMO CC(C)O[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593054515 347852720 /nfs/dbraw/zinc/85/27/20/347852720.db2.gz FNYMNYCOCNTGBA-KGLIPLIRSA-N 1 1 249.358 2.319 20 30 BEEDMO CC(C)O[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000593054515 347852721 /nfs/dbraw/zinc/85/27/21/347852721.db2.gz FNYMNYCOCNTGBA-KGLIPLIRSA-N 1 1 249.358 2.319 20 30 BEEDMO C[N@H+](CCN1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000593112947 347861578 /nfs/dbraw/zinc/86/15/78/347861578.db2.gz SNIPULDQFWPIQA-ZIAGYGMSSA-N 1 1 235.375 2.096 20 30 BEEDMO C[N@@H+](CCN1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000593112947 347861579 /nfs/dbraw/zinc/86/15/79/347861579.db2.gz SNIPULDQFWPIQA-ZIAGYGMSSA-N 1 1 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240.347 2.200 20 30 BEEDMO C=CCCCCC[N@@H+](C)[C@@H](C=C)C(=O)OC ZINC000619718731 369548661 /nfs/dbraw/zinc/54/86/61/369548661.db2.gz YUKZWLRLIBDRIG-LBPRGKRZSA-N 1 1 225.332 2.392 20 30 BEEDMO C=CCCCCC[N@H+](C)[C@@H](C=C)C(=O)OC ZINC000619718731 369548664 /nfs/dbraw/zinc/54/86/64/369548664.db2.gz YUKZWLRLIBDRIG-LBPRGKRZSA-N 1 1 225.332 2.392 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000619722279 369554158 /nfs/dbraw/zinc/55/41/58/369554158.db2.gz INBHZVDYUQBTIA-RYUDHWBXSA-N 1 1 239.359 2.472 20 30 BEEDMO Cc1ccc(CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600709661 369559584 /nfs/dbraw/zinc/55/95/84/369559584.db2.gz PHRBBDGULVPNTR-OCCSQVGLSA-N 1 1 243.354 2.036 20 30 BEEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000060941534 369568871 /nfs/dbraw/zinc/56/88/71/369568871.db2.gz RCLYJMROCLMYEG-SNVBAGLBSA-N 1 1 245.301 2.346 20 30 BEEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602428803 369786675 /nfs/dbraw/zinc/78/66/75/369786675.db2.gz KFWHBZUOBIVXNU-LLVKDONJSA-N 1 1 215.300 2.185 20 30 BEEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602441231 369788545 /nfs/dbraw/zinc/78/85/45/369788545.db2.gz YDDRFOVVINHGFU-NSHDSACASA-N 1 1 217.316 2.430 20 30 BEEDMO CC[N@H+](Cc1cccc(C#N)n1)CC(C)C ZINC000602441860 369789148 /nfs/dbraw/zinc/78/91/48/369789148.db2.gz ZBQDEOMAFSQRGW-UHFFFAOYSA-N 1 1 217.316 2.431 20 30 BEEDMO CCCC[N@@H+](CCOC)Cc1cccc(C#N)n1 ZINC000602467945 369791477 /nfs/dbraw/zinc/79/14/77/369791477.db2.gz LLGXMELIDWZWON-UHFFFAOYSA-N 1 1 247.342 2.202 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602471334 369791781 /nfs/dbraw/zinc/79/17/81/369791781.db2.gz CFOLDZQIVCXDKC-NEPJUHHUSA-N 1 1 229.327 2.431 20 30 BEEDMO CC(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602488393 369794343 /nfs/dbraw/zinc/79/43/43/369794343.db2.gz WWAVLTHGRHVJDF-LBPRGKRZSA-N 1 1 229.327 2.431 20 30 BEEDMO N#Cc1ccc2c(c1)C[N@H+](CCC[C@@H]1CCO1)C2 ZINC000602711403 369846324 /nfs/dbraw/zinc/84/63/24/369846324.db2.gz PXKBSDMJDUWMHH-OAHLLOKOSA-N 1 1 242.322 2.443 20 30 BEEDMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000602758906 369849290 /nfs/dbraw/zinc/84/92/90/369849290.db2.gz JDQYTYYREMDHMZ-SWLSCSKDSA-N 1 1 244.338 2.415 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H](CO)C1 ZINC000602932449 369866540 /nfs/dbraw/zinc/86/65/40/369866540.db2.gz XWZYXBDPRMISOJ-DOMZBBRYSA-N 1 1 244.338 2.151 20 30 BEEDMO C=CC[N@@H+](Cc1ccnc(C)c1)[C@@H](C)COC ZINC000621313927 370240066 /nfs/dbraw/zinc/24/00/66/370240066.db2.gz CBXOOMPHMNTVGX-ZDUSSCGKSA-N 1 1 234.343 2.413 20 30 BEEDMO N#Cc1cc(F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000113317589 370400980 /nfs/dbraw/zinc/40/09/80/370400980.db2.gz UMXMNNPAFJQGRL-GFCCVEGCSA-N 1 1 245.301 2.346 20 30 BEEDMO CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)O ZINC000078738605 370595487 /nfs/dbraw/zinc/59/54/87/370595487.db2.gz HIJDAWSPKXOBJN-UHFFFAOYSA-N 1 1 232.327 2.151 20 30 BEEDMO CC[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)O ZINC000078738334 370595502 /nfs/dbraw/zinc/59/55/02/370595502.db2.gz OBUCTXKIDZYTOU-UHFFFAOYSA-N 1 1 232.327 2.151 20 30 BEEDMO COc1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000037871534 371068090 /nfs/dbraw/zinc/06/80/90/371068090.db2.gz RPALXUNAZOBNJU-SNVBAGLBSA-N 1 1 204.273 2.087 20 30 BEEDMO Cc1ccc[nH+]c1NCc1ccc(C#N)o1 ZINC000124511583 371193825 /nfs/dbraw/zinc/19/38/25/371193825.db2.gz HZEDDOVMAQLMQJ-UHFFFAOYSA-N 1 1 213.240 2.467 20 30 BEEDMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000019959849 371212334 /nfs/dbraw/zinc/21/23/34/371212334.db2.gz HVMUBNKRWIIPNM-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000019959849 371212339 /nfs/dbraw/zinc/21/23/39/371212339.db2.gz HVMUBNKRWIIPNM-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO CC1(C)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000094802898 371234346 /nfs/dbraw/zinc/23/43/46/371234346.db2.gz LRKJTVWZPJMQIX-AWEZNQCLSA-N 1 1 244.338 2.324 20 30 BEEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000155458607 371244580 /nfs/dbraw/zinc/24/45/80/371244580.db2.gz YUDOODAJPKXVJY-LBPRGKRZSA-N 1 1 234.299 2.152 20 30 BEEDMO C[N@@H+]1CCC[C@@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000227336113 371835800 /nfs/dbraw/zinc/83/58/00/371835800.db2.gz SRHKPXNOOQDHFG-ZIAGYGMSSA-N 1 1 247.386 2.096 20 30 BEEDMO C[N@H+]1CCC[C@@H]2CN(CC3(CC#N)CC3)CC[C@H]21 ZINC000227336113 371835806 /nfs/dbraw/zinc/83/58/06/371835806.db2.gz SRHKPXNOOQDHFG-ZIAGYGMSSA-N 1 1 247.386 2.096 20 30 BEEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000132741327 371911109 /nfs/dbraw/zinc/91/11/09/371911109.db2.gz ZIKLKJUQXAXQJH-CYBMUJFWSA-N 1 1 238.375 2.191 20 30 BEEDMO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000633327545 373478356 /nfs/dbraw/zinc/47/83/56/373478356.db2.gz GMIFXRQREIRZLN-YHWZYXNKSA-N 1 1 248.370 2.084 20 30 BEEDMO C=CC[N@H+](CCOC)C1CC(OC(C)C)C1 ZINC000459417520 206011415 /nfs/dbraw/zinc/01/14/15/206011415.db2.gz HTYDBARLOZMIAR-UHFFFAOYSA-N 1 1 227.348 2.077 20 30 BEEDMO COCC(C)(C)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000426419232 206049593 /nfs/dbraw/zinc/04/95/93/206049593.db2.gz IAFSJZPHWCZZCG-NSHDSACASA-N 1 1 224.348 2.283 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnn(CCOC)c1 ZINC000426562364 206050464 /nfs/dbraw/zinc/05/04/64/206050464.db2.gz RRTDNUMIVHQIHG-AWEZNQCLSA-N 1 1 249.358 2.070 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000426573663 206050842 /nfs/dbraw/zinc/05/08/42/206050842.db2.gz ONPSSPMSAUUTGH-LBPRGKRZSA-N 1 1 248.326 2.342 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1CC[C@H]1CCOC1 ZINC000426564209 206052355 /nfs/dbraw/zinc/05/23/55/206052355.db2.gz CAAJXTKTUKLZAX-STQMWFEESA-N 1 1 209.333 2.454 20 30 BEEDMO C#CC[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000192239675 259585755 /nfs/dbraw/zinc/58/57/55/259585755.db2.gz IWZURZUKRRBKOZ-ZDUSSCGKSA-N 1 1 221.344 2.433 20 30 BEEDMO CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000028957367 169204197 /nfs/dbraw/zinc/20/41/97/169204197.db2.gz GOVODMYQSBAJBO-AWEZNQCLSA-N 1 1 230.311 2.342 20 30 BEEDMO CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000028957367 169204199 /nfs/dbraw/zinc/20/41/99/169204199.db2.gz GOVODMYQSBAJBO-AWEZNQCLSA-N 1 1 230.311 2.342 20 30 BEEDMO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccns1 ZINC001644059371 1172521925 /nfs/dbraw/zinc/52/19/25/1172521925.db2.gz VTBLVTOYLXFFFS-VIFPVBQESA-N 1 1 244.323 2.261 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001644370635 1172550041 /nfs/dbraw/zinc/55/00/41/1172550041.db2.gz BKXSBOQOPPPXLZ-QWHCGFSZSA-N 1 1 244.342 2.348 20 30 BEEDMO CC(C)CC[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001644367727 1172552448 /nfs/dbraw/zinc/55/24/48/1172552448.db2.gz UANPLZAFTMENIX-UHFFFAOYSA-N 1 1 217.316 2.431 20 30 BEEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001644621219 1172577752 /nfs/dbraw/zinc/57/77/52/1172577752.db2.gz AUBQHFJPKRYDQA-LLVKDONJSA-N 1 1 217.316 2.431 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cccc(OC)c1C ZINC001644700504 1172595201 /nfs/dbraw/zinc/59/52/01/1172595201.db2.gz ARQXZUOEGGTUPE-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OC)c1C ZINC001644700504 1172595207 /nfs/dbraw/zinc/59/52/07/1172595207.db2.gz ARQXZUOEGGTUPE-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C#CC[N@H+](CC)C[Si](C)(C)c1ccccc1 ZINC001644743695 1172602771 /nfs/dbraw/zinc/60/27/71/1172602771.db2.gz MTBHVAVAZSHIEW-UHFFFAOYSA-N 1 1 231.415 2.096 20 30 BEEDMO N#CCCCC[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001644985718 1172623418 /nfs/dbraw/zinc/62/34/18/1172623418.db2.gz HOJVKFZIINVOLY-VHSXEESVSA-N 1 1 214.259 2.267 20 30 BEEDMO C[C@@H](c1ccccc1)[N@H+](CCO)CC1(C#N)CC1 ZINC001644986476 1172625008 /nfs/dbraw/zinc/62/50/08/1172625008.db2.gz QHXNNFQEPDRCNJ-ZDUSSCGKSA-N 1 1 244.338 2.346 20 30 BEEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)CC1(C#N)CC1 ZINC001644986476 1172625010 /nfs/dbraw/zinc/62/50/10/1172625010.db2.gz QHXNNFQEPDRCNJ-ZDUSSCGKSA-N 1 1 244.338 2.346 20 30 BEEDMO CC#CC[N@@H+](C)CC[C@H](O)c1ccccc1 ZINC000298355545 383851349 /nfs/dbraw/zinc/85/13/49/383851349.db2.gz MSLPXHHRSVBADB-AWEZNQCLSA-N 1 1 217.312 2.065 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)C(C)C ZINC000152529776 383851741 /nfs/dbraw/zinc/85/17/41/383851741.db2.gz PXTHLRKHJUJLJE-GFCCVEGCSA-N 1 1 226.364 2.140 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1c(Cl)cnn1C)C(C)(C)C ZINC000290262848 383873976 /nfs/dbraw/zinc/87/39/76/383873976.db2.gz WYGBJGKIATWWST-LLVKDONJSA-N 1 1 239.750 2.211 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000036750297 383909298 /nfs/dbraw/zinc/90/92/98/383909298.db2.gz YWLSCGZOLASLDQ-GFCCVEGCSA-N 1 1 248.326 2.486 20 30 BEEDMO COc1ccccc1C[C@H](C)[N@H+](C)CCC#N ZINC000088194801 383885275 /nfs/dbraw/zinc/88/52/75/383885275.db2.gz BTMXQQPGEURRIV-LBPRGKRZSA-N 1 1 232.327 2.472 20 30 BEEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC#N ZINC000088194801 383885279 /nfs/dbraw/zinc/88/52/79/383885279.db2.gz BTMXQQPGEURRIV-LBPRGKRZSA-N 1 1 232.327 2.472 20 30 BEEDMO C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000116853697 383902023 /nfs/dbraw/zinc/90/20/23/383902023.db2.gz ATZRZWIWWMTUFJ-GXTWGEPZSA-N 1 1 246.354 2.370 20 30 BEEDMO C=CCCCC[N@@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000560239309 383999493 /nfs/dbraw/zinc/99/94/93/383999493.db2.gz KLKUVFWMBBODHN-OLZOCXBDSA-N 1 1 210.365 2.367 20 30 BEEDMO N#Cc1csc(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000334792407 383952853 /nfs/dbraw/zinc/95/28/53/383952853.db2.gz NXJNACHQNVDCEE-UHFFFAOYSA-N 1 1 248.351 2.232 20 30 BEEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000176340574 384004174 /nfs/dbraw/zinc/00/41/74/384004174.db2.gz HUFJZCXZFMBLHE-OAHLLOKOSA-N 1 1 244.338 2.417 20 30 BEEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccnc(C#N)c1 ZINC000289072411 384011095 /nfs/dbraw/zinc/01/10/95/384011095.db2.gz NPAGBTARZRHJGA-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO C[N@@H+](CCOc1ccccc1C#N)C1CCC1 ZINC000135415612 384044460 /nfs/dbraw/zinc/04/44/60/384044460.db2.gz NTZNRWKGMRXZHI-UHFFFAOYSA-N 1 1 230.311 2.421 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000560278768 384031682 /nfs/dbraw/zinc/03/16/82/384031682.db2.gz XBUAGQCTOGENCS-LLVKDONJSA-N 1 1 219.275 2.045 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962587 384084877 /nfs/dbraw/zinc/08/48/77/384084877.db2.gz XDQIGXGINATJIR-CYBMUJFWSA-N 1 1 245.326 2.427 20 30 BEEDMO C[C@H](NC[C@H](C)[NH+](C)C)c1cccc(C#N)c1 ZINC000038087451 384058757 /nfs/dbraw/zinc/05/87/57/384058757.db2.gz GFGLFDKAIIDIII-RYUDHWBXSA-N 1 1 231.343 2.159 20 30 BEEDMO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000070074543 384231975 /nfs/dbraw/zinc/23/19/75/384231975.db2.gz UWIAXGLPDNVAJN-DOMZBBRYSA-N 1 1 243.354 2.117 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374556645 533049519 /nfs/dbraw/zinc/04/95/19/533049519.db2.gz NUDJJBZYRNJHPS-MRXNPFEDSA-N 1 1 243.350 2.036 20 30 BEEDMO C#C[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000309709216 384214403 /nfs/dbraw/zinc/21/44/03/384214403.db2.gz WNPXWAICHJDUQL-JTQLQIEISA-N 1 1 233.340 2.152 20 30 BEEDMO CCN(CCC#N)Cc1[nH+]cc(C)c(OC)c1C ZINC000042454491 384221724 /nfs/dbraw/zinc/22/17/24/384221724.db2.gz OGNABKOTMXLABR-UHFFFAOYSA-N 1 1 247.342 2.443 20 30 BEEDMO C#CCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000296135093 533047956 /nfs/dbraw/zinc/04/79/56/533047956.db2.gz ZGSNQBWLKGHKMP-UHFFFAOYSA-N 1 1 212.296 2.194 20 30 BEEDMO C#CCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295966755 533050615 /nfs/dbraw/zinc/05/06/15/533050615.db2.gz NDLFGBHGKSSKOD-AWEZNQCLSA-N 1 1 214.312 2.284 20 30 BEEDMO C[C@H](C[NH2+]Cc1nc(C#N)cs1)C(F)(F)F ZINC000336739138 384263430 /nfs/dbraw/zinc/26/34/30/384263430.db2.gz KXCNWSCAZIPPPX-ZCFIWIBFSA-N 1 1 249.261 2.303 20 30 BEEDMO C#CC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000299659867 384313907 /nfs/dbraw/zinc/31/39/07/384313907.db2.gz NCGCOAYIJXDOQS-UHFFFAOYSA-N 1 1 233.315 2.006 20 30 BEEDMO C[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187326764 384286530 /nfs/dbraw/zinc/28/65/30/384286530.db2.gz XOVVSVLJIQODHZ-VIFPVBQESA-N 1 1 238.718 2.024 20 30 BEEDMO C[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187326764 384286534 /nfs/dbraw/zinc/28/65/34/384286534.db2.gz XOVVSVLJIQODHZ-VIFPVBQESA-N 1 1 238.718 2.024 20 30 BEEDMO CCC[C@H]([NH2+]CCCCC#N)C(=O)OCC ZINC000174056937 384298669 /nfs/dbraw/zinc/29/86/69/384298669.db2.gz VFTHNYIHHRHPGL-NSHDSACASA-N 1 1 226.320 2.002 20 30 BEEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000335545699 384300753 /nfs/dbraw/zinc/30/07/53/384300753.db2.gz YDVLHHUAIZIDGG-IUODEOHRSA-N 1 1 244.338 2.009 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000233473742 384356685 /nfs/dbraw/zinc/35/66/85/384356685.db2.gz AVHAQDUVHLGIOD-UHFFFAOYSA-N 1 1 248.326 2.035 20 30 BEEDMO C=CCOCC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625653687 384367738 /nfs/dbraw/zinc/36/77/38/384367738.db2.gz SSTHDJQRYJWMPF-PHIMTYICSA-N 1 1 233.302 2.412 20 30 BEEDMO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H](C)[N@@H+]1C ZINC000135265058 384428072 /nfs/dbraw/zinc/42/80/72/384428072.db2.gz DSWCTMRHDIJPOW-PHIMTYICSA-N 1 1 247.317 2.226 20 30 BEEDMO Cc1cc(C[N@H+]2CCC[C@@]2(C)CO)ccc1C#N ZINC000558995534 384465311 /nfs/dbraw/zinc/46/53/11/384465311.db2.gz MAJKXAGWSGTXIF-HNNXBMFYSA-N 1 1 244.338 2.214 20 30 BEEDMO C=CCCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000102466260 384469959 /nfs/dbraw/zinc/46/99/59/384469959.db2.gz MGTBYYXXAMGAFB-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(OC)cc(OC)c1 ZINC000490898735 384472746 /nfs/dbraw/zinc/47/27/46/384472746.db2.gz LQBMRNVLQCMJIF-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO C#CC[NH+](CC#C)Cc1cccc2cc[nH]c21 ZINC000490898549 384473003 /nfs/dbraw/zinc/47/30/03/384473003.db2.gz LBLFREWLPRSRBN-UHFFFAOYSA-N 1 1 222.291 2.236 20 30 BEEDMO C#CC[N@H+](CC)Cc1c(C)nc2ccccn21 ZINC000490898287 384473202 /nfs/dbraw/zinc/47/32/02/384473202.db2.gz JFDPXRZYNKCQNK-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO C[C@@H]1CSCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249099184 384483516 /nfs/dbraw/zinc/48/35/16/384483516.db2.gz UMFPLLSQEZUTHX-NWDGAFQWSA-N 1 1 237.372 2.115 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc2c[nH]nc2c1 ZINC000490925226 384499476 /nfs/dbraw/zinc/49/94/76/384499476.db2.gz UWOXYUZFCXTAMQ-UHFFFAOYSA-N 1 1 237.306 2.021 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc2c[nH]nc2c1 ZINC000490925226 384499479 /nfs/dbraw/zinc/49/94/79/384499479.db2.gz UWOXYUZFCXTAMQ-UHFFFAOYSA-N 1 1 237.306 2.021 20 30 BEEDMO C[C@@H]([NH3+])C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000423022876 384493510 /nfs/dbraw/zinc/49/35/10/384493510.db2.gz GIUIFYUMMYQNCO-NEPJUHHUSA-N 1 1 243.354 2.263 20 30 BEEDMO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(C#N)c(F)c1 ZINC000423223077 384520317 /nfs/dbraw/zinc/52/03/17/384520317.db2.gz DSBBJQYZJSLQTI-VHSXEESVSA-N 1 1 235.306 2.085 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)CCc1ccccc1F ZINC000049817890 384569333 /nfs/dbraw/zinc/56/93/33/384569333.db2.gz OYYFPKQTHMITER-LLVKDONJSA-N 1 1 220.291 2.460 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccccc1F ZINC000049817890 384569342 /nfs/dbraw/zinc/56/93/42/384569342.db2.gz OYYFPKQTHMITER-LLVKDONJSA-N 1 1 220.291 2.460 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccccc1F ZINC000049817891 384566899 /nfs/dbraw/zinc/56/68/99/384566899.db2.gz OYYFPKQTHMITER-NSHDSACASA-N 1 1 220.291 2.460 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccccc1F ZINC000049817891 384566906 /nfs/dbraw/zinc/56/69/06/384566906.db2.gz OYYFPKQTHMITER-NSHDSACASA-N 1 1 220.291 2.460 20 30 BEEDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000042338042 384637976 /nfs/dbraw/zinc/63/79/76/384637976.db2.gz VPCFIIIGIHSFLP-LLVKDONJSA-N 1 1 218.300 2.025 20 30 BEEDMO COC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042338049 384640570 /nfs/dbraw/zinc/64/05/70/384640570.db2.gz HJYKVWWASNKAPS-NSHDSACASA-N 1 1 218.300 2.025 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491774721 384647020 /nfs/dbraw/zinc/64/70/20/384647020.db2.gz AULCEPCSFYPBGQ-DZGCQCFKSA-N 1 1 245.366 2.495 20 30 BEEDMO CC#CCC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000155018950 384689559 /nfs/dbraw/zinc/68/95/59/384689559.db2.gz BITLOGXBFWPVGN-UHFFFAOYSA-N 1 1 249.310 2.220 20 30 BEEDMO C[C@H]([NH2+]Cc1nccn1C)c1cccc(C#N)c1 ZINC000071273378 384778874 /nfs/dbraw/zinc/77/88/74/384778874.db2.gz CPVUQDOSFHBEMA-NSHDSACASA-N 1 1 240.310 2.143 20 30 BEEDMO CC#CCC[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000155696799 384742368 /nfs/dbraw/zinc/74/23/68/384742368.db2.gz BDTXLLZEEWPQBV-OAHLLOKOSA-N 1 1 247.338 2.074 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)CCNc1ncccc1C#N ZINC000227920646 384759051 /nfs/dbraw/zinc/75/90/51/384759051.db2.gz LZDZQCIXVLYBFD-LLVKDONJSA-N 1 1 232.331 2.095 20 30 BEEDMO C=C(CC)C[NH2+][C@@H](C)c1nnc(C)s1 ZINC000336670072 384817291 /nfs/dbraw/zinc/81/72/91/384817291.db2.gz YHNQGJYVLGGOHE-QMMMGPOBSA-N 1 1 211.334 2.463 20 30 BEEDMO CC[N@@H+](C)CCNc1ccc(C#N)cc1F ZINC000054128029 384822114 /nfs/dbraw/zinc/82/21/14/384822114.db2.gz JQCGZOHEXXYGOO-UHFFFAOYSA-N 1 1 221.279 2.061 20 30 BEEDMO C[C@@H]1[C@H](C)OCC[N@H+]1CCCC(C)(C)C#N ZINC000156207094 384826900 /nfs/dbraw/zinc/82/69/00/384826900.db2.gz ZEUKCUBETNRQEO-NEPJUHHUSA-N 1 1 224.348 2.426 20 30 BEEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000156227498 384827688 /nfs/dbraw/zinc/82/76/88/384827688.db2.gz KOOYEZBCXQZGJR-OAHLLOKOSA-N 1 1 247.313 2.288 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]C/C=C\c1ccncc1 ZINC000310037409 384802783 /nfs/dbraw/zinc/80/27/83/384802783.db2.gz VCFLBLPYOSCTOY-SCOBNMCVSA-N 1 1 215.300 2.377 20 30 BEEDMO C#CC[N@H+](CC[C@H](C)O)[C@H]1CCc2ccccc21 ZINC000491821877 384875179 /nfs/dbraw/zinc/87/51/79/384875179.db2.gz YUBWUECHWYDWJL-BBRMVZONSA-N 1 1 243.350 2.380 20 30 BEEDMO CCCC(N)=[NH+]OCCOc1ccc(C#N)cc1 ZINC000105605095 384875536 /nfs/dbraw/zinc/87/55/36/384875536.db2.gz LVYWCOFNXDVQLS-UHFFFAOYSA-N 1 1 247.298 2.026 20 30 BEEDMO C=CCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177152606 384887109 /nfs/dbraw/zinc/88/71/09/384887109.db2.gz LFRRNPLZHLBOBG-VXGBXAGGSA-N 1 1 236.359 2.084 20 30 BEEDMO C[C@@H](O)[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000187720060 384840634 /nfs/dbraw/zinc/84/06/34/384840634.db2.gz UUWPFPTVVKNILC-JMSVASOKSA-N 1 1 244.338 2.322 20 30 BEEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000193343724 384952015 /nfs/dbraw/zinc/95/20/15/384952015.db2.gz LVKCRVIDGRWCQA-CYBMUJFWSA-N 1 1 238.375 2.191 20 30 BEEDMO CC#CCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000156771944 384953034 /nfs/dbraw/zinc/95/30/34/384953034.db2.gz FRNQOAVERWHGFC-UONOGXRCSA-N 1 1 231.343 2.179 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc2c[nH]nc21 ZINC000358283025 384895315 /nfs/dbraw/zinc/89/53/15/384895315.db2.gz FACRFJJLFKUIMT-LBPRGKRZSA-N 1 1 228.299 2.345 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497280454 384938385 /nfs/dbraw/zinc/93/83/85/384938385.db2.gz VWYDYJCVVCLORO-LBPRGKRZSA-N 1 1 240.347 2.115 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000491465253 384941018 /nfs/dbraw/zinc/94/10/18/384941018.db2.gz VPIRHVQXKWADAH-BZUAXINKSA-N 1 1 241.334 2.124 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@H]1C[C@@H]1c1ccccc1 ZINC000491465253 384941026 /nfs/dbraw/zinc/94/10/26/384941026.db2.gz VPIRHVQXKWADAH-BZUAXINKSA-N 1 1 241.334 2.124 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156746530 384947944 /nfs/dbraw/zinc/94/79/44/384947944.db2.gz KIESBHMGQRSTAV-GFCCVEGCSA-N 1 1 237.343 2.063 20 30 BEEDMO COc1cc(C#N)ccc1Cn1c[nH+]c(C)c1C ZINC000179660077 385018666 /nfs/dbraw/zinc/01/86/66/385018666.db2.gz IIFSCYHEIDWFTP-UHFFFAOYSA-N 1 1 241.294 2.429 20 30 BEEDMO CCC#C[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000644662449 385073070 /nfs/dbraw/zinc/07/30/70/385073070.db2.gz WSUQWPXQXMXNBN-AWEZNQCLSA-N 1 1 222.376 2.204 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(F)c1O ZINC000165162166 385077300 /nfs/dbraw/zinc/07/73/00/385077300.db2.gz SNGBORRIZRDACV-SNVBAGLBSA-N 1 1 222.263 2.313 20 30 BEEDMO C=CC[N@@H+](C)CCOc1ccccc1C#N ZINC000108386240 385036367 /nfs/dbraw/zinc/03/63/67/385036367.db2.gz VFSZDNPWCZGKFB-UHFFFAOYSA-N 1 1 216.284 2.055 20 30 BEEDMO C#CC[N@H+](CCC[C@@H](C)O)Cc1ccccc1 ZINC000491210152 385135025 /nfs/dbraw/zinc/13/50/25/385135025.db2.gz QNRXXCWAIPSUBL-CQSZACIVSA-N 1 1 231.339 2.283 20 30 BEEDMO CCCc1[nH+]ccn1C[C@H](C#N)CCC#N ZINC000151901194 385136969 /nfs/dbraw/zinc/13/69/69/385136969.db2.gz ODYKOYGEBYULCA-NSHDSACASA-N 1 1 216.288 2.279 20 30 BEEDMO C=CCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000157166308 385093884 /nfs/dbraw/zinc/09/38/84/385093884.db2.gz JHTMBHFRQXWCBF-CYBMUJFWSA-N 1 1 208.349 2.123 20 30 BEEDMO C=CCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000157166308 385093891 /nfs/dbraw/zinc/09/38/91/385093891.db2.gz JHTMBHFRQXWCBF-CYBMUJFWSA-N 1 1 208.349 2.123 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000246042296 385096268 /nfs/dbraw/zinc/09/62/68/385096268.db2.gz RZVGFMKUWDDQMR-DZGCQCFKSA-N 1 1 248.370 2.489 20 30 BEEDMO Cc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)O)cc1C#N ZINC000599431493 385105045 /nfs/dbraw/zinc/10/50/45/385105045.db2.gz HWWZWZKIPLHDHK-LBPRGKRZSA-N 1 1 246.354 2.458 20 30 BEEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@H+](C)C1CC1 ZINC000176964441 385187756 /nfs/dbraw/zinc/18/77/56/385187756.db2.gz CJCNYYFOLNCKHY-JTQLQIEISA-N 1 1 249.383 2.192 20 30 BEEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@@H+](C)C1CC1 ZINC000176964441 385187764 /nfs/dbraw/zinc/18/77/64/385187764.db2.gz CJCNYYFOLNCKHY-JTQLQIEISA-N 1 1 249.383 2.192 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000310852366 385191092 /nfs/dbraw/zinc/19/10/92/385191092.db2.gz PUSDKTMUSBDMND-HNNXBMFYSA-N 1 1 242.322 2.313 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000157344087 385155691 /nfs/dbraw/zinc/15/56/91/385155691.db2.gz YXDDMBVMKCTKAV-CVEARBPZSA-N 1 1 243.350 2.273 20 30 BEEDMO C#CC[N@@H+](C)CCCNc1nccc2occc21 ZINC000292780239 533109318 /nfs/dbraw/zinc/10/93/18/533109318.db2.gz LSQJOYISVCUADS-UHFFFAOYSA-N 1 1 243.310 2.195 20 30 BEEDMO C[N@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000157764716 385274973 /nfs/dbraw/zinc/27/49/73/385274973.db2.gz VLWGWLAMPSUOHE-UHFFFAOYSA-N 1 1 240.310 2.218 20 30 BEEDMO C[N@@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000157764716 385274979 /nfs/dbraw/zinc/27/49/79/385274979.db2.gz VLWGWLAMPSUOHE-UHFFFAOYSA-N 1 1 240.310 2.218 20 30 BEEDMO CC#CC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000157975415 385301996 /nfs/dbraw/zinc/30/19/96/385301996.db2.gz ZCBBXDQCIHZQDC-LLVKDONJSA-N 1 1 203.285 2.408 20 30 BEEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000309022006 385374200 /nfs/dbraw/zinc/37/42/00/385374200.db2.gz VJUDIFSNPZULDQ-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO C#CCn1ccc(C[N@@H+](CC)CCC2CC2)n1 ZINC000491363310 385405776 /nfs/dbraw/zinc/40/57/76/385405776.db2.gz YUZHLCBBTWVIFR-UHFFFAOYSA-N 1 1 231.343 2.138 20 30 BEEDMO C=C(C)CC[NH2+]C(CC)(CC)C(=O)OC ZINC000309168154 385446883 /nfs/dbraw/zinc/44/68/83/385446883.db2.gz JYQZGDFAMPIEIJ-UHFFFAOYSA-N 1 1 213.321 2.274 20 30 BEEDMO C#CC[NH+](CC#C)CCSC(C)(C)C ZINC000284446728 533118845 /nfs/dbraw/zinc/11/88/45/533118845.db2.gz QOGVAVPKWICNJX-UHFFFAOYSA-N 1 1 209.358 2.087 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444733484 385489783 /nfs/dbraw/zinc/48/97/83/385489783.db2.gz XMBITGQDQIIECQ-MNOVXSKESA-N 1 1 249.276 2.035 20 30 BEEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146999 385567823 /nfs/dbraw/zinc/56/78/23/385567823.db2.gz HMWMORWEGDXQPH-GXTWGEPZSA-N 1 1 230.311 2.098 20 30 BEEDMO C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146625 385568349 /nfs/dbraw/zinc/56/83/49/385568349.db2.gz JQXARMIUVZRQEP-SMDDNHRTSA-N 1 1 248.301 2.237 20 30 BEEDMO C=C(C[NH2+]Cc1cocn1)c1ccccc1 ZINC000336648711 385589196 /nfs/dbraw/zinc/58/91/96/385589196.db2.gz CVLGYOKTESGKGW-UHFFFAOYSA-N 1 1 214.268 2.478 20 30 BEEDMO C#CC[N@H+](Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000299442642 533134292 /nfs/dbraw/zinc/13/42/92/533134292.db2.gz XGLBFPHCZYEPCH-UHFFFAOYSA-N 1 1 245.322 2.301 20 30 BEEDMO CC[N@@H+](CCC1CCOCC1)C[C@@H](C)C#N ZINC000309528935 385664140 /nfs/dbraw/zinc/66/41/40/385664140.db2.gz BNMZTWZTGHHVLT-LBPRGKRZSA-N 1 1 224.348 2.285 20 30 BEEDMO CCN(C[C@H]1CCCC[N@H+]1C(C)C)[C@@H](C)C#N ZINC000595821620 385638789 /nfs/dbraw/zinc/63/87/89/385638789.db2.gz XKLAZIKHAXONNU-UONOGXRCSA-N 1 1 237.391 2.483 20 30 BEEDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000597174449 385665229 /nfs/dbraw/zinc/66/52/29/385665229.db2.gz QUULNZVOOSJABN-GFCCVEGCSA-N 1 1 245.326 2.221 20 30 BEEDMO CC[N@@H+](CCC1CCOCC1)C[C@H](C)C#N ZINC000309528934 385665433 /nfs/dbraw/zinc/66/54/33/385665433.db2.gz BNMZTWZTGHHVLT-GFCCVEGCSA-N 1 1 224.348 2.285 20 30 BEEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000597173313 385665503 /nfs/dbraw/zinc/66/55/03/385665503.db2.gz IIAHCMOHUFCKCA-NSHDSACASA-N 1 1 229.283 2.277 20 30 BEEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000597173313 385665506 /nfs/dbraw/zinc/66/55/06/385665506.db2.gz IIAHCMOHUFCKCA-NSHDSACASA-N 1 1 229.283 2.277 20 30 BEEDMO N#CC[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000397569040 385670764 /nfs/dbraw/zinc/67/07/64/385670764.db2.gz BFJYYEFEYIOZOQ-LBPRGKRZSA-N 1 1 217.316 2.306 20 30 BEEDMO C=CCCCCC[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000309603855 385737721 /nfs/dbraw/zinc/73/77/21/385737721.db2.gz YGEREWAFPAXLCY-GFCCVEGCSA-N 1 1 225.332 2.274 20 30 BEEDMO Cc1cnc([C@H](C)[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000408375762 385743507 /nfs/dbraw/zinc/74/35/07/385743507.db2.gz PTAZSBWYTSCXNE-LBPRGKRZSA-N 1 1 244.342 2.472 20 30 BEEDMO C[N@@H+](CCCC#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282368441 385756110 /nfs/dbraw/zinc/75/61/10/385756110.db2.gz DYIWZTTVBTVFFR-UHFFFAOYSA-N 1 1 247.298 2.373 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@]12CCOC2 ZINC000336655474 385758090 /nfs/dbraw/zinc/75/80/90/385758090.db2.gz HKDOBNQIPVYFRG-ZDUSSCGKSA-N 1 1 222.332 2.181 20 30 BEEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccnc1C#N ZINC000290728753 385761603 /nfs/dbraw/zinc/76/16/03/385761603.db2.gz AVKPVGCENDPJDC-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCC12CCOCC2 ZINC000602635022 385811210 /nfs/dbraw/zinc/81/12/10/385811210.db2.gz VVPLJRVIYCFFOJ-LBPRGKRZSA-N 1 1 222.332 2.181 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000602687060 385813403 /nfs/dbraw/zinc/81/34/03/385813403.db2.gz HQSVCLIEHQIKHR-VWYCJHECSA-N 1 1 210.346 2.116 20 30 BEEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000159236098 385837881 /nfs/dbraw/zinc/83/78/81/385837881.db2.gz FPQLACDCCSAXKB-IUODEOHRSA-N 1 1 244.338 2.294 20 30 BEEDMO 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C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000448883478 388116921 /nfs/dbraw/zinc/11/69/21/388116921.db2.gz QXXRFVFVTFTYHD-LLVKDONJSA-N 1 1 226.364 2.045 20 30 BEEDMO C=CCCC[N@H+](C)Cc1c(C)nnn1CC ZINC000449030738 388132890 /nfs/dbraw/zinc/13/28/90/388132890.db2.gz SNESAQGLSQEYCU-UHFFFAOYSA-N 1 1 222.336 2.004 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000646116589 388145573 /nfs/dbraw/zinc/14/55/73/388145573.db2.gz QPSPIJWARZXTMZ-OLZOCXBDSA-N 1 1 221.344 2.432 20 30 BEEDMO C=CCOCC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646135584 388152196 /nfs/dbraw/zinc/15/21/96/388152196.db2.gz STHYXMGMJZQGBO-CYBMUJFWSA-N 1 1 239.359 2.223 20 30 BEEDMO C[N@H+]1CCC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000093492635 388248523 /nfs/dbraw/zinc/24/85/23/388248523.db2.gz ALWWCSHOVURSOC-LLVKDONJSA-N 1 1 249.383 2.051 20 30 BEEDMO CN1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492635 388248529 /nfs/dbraw/zinc/24/85/29/388248529.db2.gz ALWWCSHOVURSOC-LLVKDONJSA-N 1 1 249.383 2.051 20 30 BEEDMO C=CCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC000449661788 388249126 /nfs/dbraw/zinc/24/91/26/388249126.db2.gz JIIAIVQWEDSAEJ-MNOVXSKESA-N 1 1 213.321 2.271 20 30 BEEDMO C#CC[N@H+](C)Cc1cnc2ccccc2c1 ZINC000490800058 388254763 /nfs/dbraw/zinc/25/47/63/388254763.db2.gz MXBMDWTXYRKVKU-UHFFFAOYSA-N 1 1 210.280 2.300 20 30 BEEDMO C#CC[N@@H+](C)CCCCC1CCOCC1 ZINC000490799319 388254957 /nfs/dbraw/zinc/25/49/57/388254957.db2.gz FEWIXABUMVVRQD-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CC[N@@H+](Cc1nccn1C)C1CCCCC1 ZINC000490838605 388256239 /nfs/dbraw/zinc/25/62/39/388256239.db2.gz CYODETIDISMEHB-UHFFFAOYSA-N 1 1 231.343 2.188 20 30 BEEDMO C#CC[N@H+](Cc1nccn1C)C1CCCCC1 ZINC000490838605 388256240 /nfs/dbraw/zinc/25/62/40/388256240.db2.gz CYODETIDISMEHB-UHFFFAOYSA-N 1 1 231.343 2.188 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(-n2cccn2)c1 ZINC000490891424 388258180 /nfs/dbraw/zinc/25/81/80/388258180.db2.gz FRGIKWVFVLTBIU-UHFFFAOYSA-N 1 1 239.322 2.327 20 30 BEEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCSC1 ZINC000037174882 388190481 /nfs/dbraw/zinc/19/04/81/388190481.db2.gz YEQJNYIUWDYDFB-ZDUSSCGKSA-N 1 1 232.352 2.496 20 30 BEEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(F)F ZINC000449416290 388198906 /nfs/dbraw/zinc/19/89/06/388198906.db2.gz SRQJHTCXHZMTPQ-DJLDLDEBSA-N 1 1 202.248 2.312 20 30 BEEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(F)F ZINC000449416289 388199089 /nfs/dbraw/zinc/19/90/89/388199089.db2.gz SRQJHTCXHZMTPQ-CIUDSAMLSA-N 1 1 202.248 2.312 20 30 BEEDMO C=CCC[N@H+](C)Cc1cccnc1OC ZINC000488975646 388199538 /nfs/dbraw/zinc/19/95/38/388199538.db2.gz CAFDJYTURZVYEU-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000489408259 388211405 /nfs/dbraw/zinc/21/14/05/388211405.db2.gz RCDOJFPCTWHZPE-CYBMUJFWSA-N 1 1 209.333 2.454 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)n(C)n1 ZINC000489440494 388214469 /nfs/dbraw/zinc/21/44/69/388214469.db2.gz PREWKMJONMWNEG-ZDUSSCGKSA-N 1 1 219.332 2.269 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)n(C)n1 ZINC000489440494 388214471 /nfs/dbraw/zinc/21/44/71/388214471.db2.gz PREWKMJONMWNEG-ZDUSSCGKSA-N 1 1 219.332 2.269 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000489473924 388216879 /nfs/dbraw/zinc/21/68/79/388216879.db2.gz JKTQILVOGFBIFX-UWVGGRQHSA-N 1 1 237.265 2.340 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCC(C)C ZINC000489492906 388218087 /nfs/dbraw/zinc/21/80/87/388218087.db2.gz ZKPNQUIBENQAPL-UONOGXRCSA-N 1 1 241.375 2.060 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)C(C)C ZINC000489499074 388218439 /nfs/dbraw/zinc/21/84/39/388218439.db2.gz NQAQNVAMTREYEK-CHWSQXEVSA-N 1 1 238.375 2.188 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC000489499074 388218441 /nfs/dbraw/zinc/21/84/41/388218441.db2.gz NQAQNVAMTREYEK-CHWSQXEVSA-N 1 1 238.375 2.188 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CCCc1nc(C)no1 ZINC000489498453 388218726 /nfs/dbraw/zinc/21/87/26/388218726.db2.gz QKNRSZUJLCEABN-LBPRGKRZSA-N 1 1 235.331 2.351 20 30 BEEDMO C=C(CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000456815675 388224689 /nfs/dbraw/zinc/22/46/89/388224689.db2.gz YTVGDUNECYIWKY-AWEZNQCLSA-N 1 1 246.354 2.372 20 30 BEEDMO CC#CCC[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451542641 388280772 /nfs/dbraw/zinc/28/07/72/388280772.db2.gz NWBBZWRMTAAEMI-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@H+](Cc1ccc(OC(C)=O)cc1)C1CC1 ZINC000491279244 388282088 /nfs/dbraw/zinc/28/20/88/388282088.db2.gz XJZHTRWRQVLWKZ-UHFFFAOYSA-N 1 1 243.306 2.210 20 30 BEEDMO C=CCOCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451655411 388288750 /nfs/dbraw/zinc/28/87/50/388288750.db2.gz QRTHSSAJTYSVPF-LBPRGKRZSA-N 1 1 227.373 2.016 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCc1nc2ccccc2n1C ZINC000491372188 388289086 /nfs/dbraw/zinc/28/90/86/388289086.db2.gz IGNKXRXGUYEFBJ-GFCCVEGCSA-N 1 1 241.338 2.069 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCC1 ZINC000451696172 388290485 /nfs/dbraw/zinc/29/04/85/388290485.db2.gz FWHZUAWPXBYWMY-MCIONIFRSA-N 1 1 248.370 2.163 20 30 BEEDMO C#CC[N@H+](C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000491466004 388296712 /nfs/dbraw/zinc/29/67/12/388296712.db2.gz YRDBAMBVFHQUAF-UKRRQHHQSA-N 1 1 235.371 2.415 20 30 BEEDMO C=CCCC[NH+]1CCN([C@H](C)CC)CC1 ZINC000451831044 388298960 /nfs/dbraw/zinc/29/89/60/388298960.db2.gz ZFTYRZMRTMJPCI-CYBMUJFWSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCC[NH+]1CCN([C@@H](C)CC)CC1 ZINC000451831045 388299217 /nfs/dbraw/zinc/29/92/17/388299217.db2.gz ZFTYRZMRTMJPCI-ZDUSSCGKSA-N 1 1 210.365 2.369 20 30 BEEDMO CC#CCC[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451858382 388301395 /nfs/dbraw/zinc/30/13/95/388301395.db2.gz VISFRQUEMFVXRG-CHWSQXEVSA-N 1 1 221.344 2.289 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000491617624 388305001 /nfs/dbraw/zinc/30/50/01/388305001.db2.gz CCIVYZZGHSXVST-LLVKDONJSA-N 1 1 219.332 2.092 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000491617624 388305002 /nfs/dbraw/zinc/30/50/02/388305002.db2.gz CCIVYZZGHSXVST-LLVKDONJSA-N 1 1 219.332 2.092 20 30 BEEDMO C#CC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000491617717 388305224 /nfs/dbraw/zinc/30/52/24/388305224.db2.gz KTZDVTWKYVBEDN-UHFFFAOYSA-N 1 1 242.326 2.077 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000491657732 388308470 /nfs/dbraw/zinc/30/84/70/388308470.db2.gz JKQKGBFQOSDPFT-GFCCVEGCSA-N 1 1 228.295 2.042 20 30 BEEDMO C#CC[N@H+](CCC[C@@H](C)O)C1CCCCC1 ZINC000491659100 388308810 /nfs/dbraw/zinc/30/88/10/388308810.db2.gz KTBSABGSOJIZOQ-CYBMUJFWSA-N 1 1 223.360 2.415 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000491682731 388310703 /nfs/dbraw/zinc/31/07/03/388310703.db2.gz UNBNCESHKHAHPO-UHFFFAOYSA-N 1 1 223.703 2.414 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCOc1ccccc1OCC ZINC000491693787 388311326 /nfs/dbraw/zinc/31/13/26/388311326.db2.gz UQCGHGFIBMGXLE-ZDUSSCGKSA-N 1 1 247.338 2.418 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCOc1ccccc1OCC ZINC000491693785 388311400 /nfs/dbraw/zinc/31/14/00/388311400.db2.gz UQCGHGFIBMGXLE-CYBMUJFWSA-N 1 1 247.338 2.418 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000491695153 388311915 /nfs/dbraw/zinc/31/19/15/388311915.db2.gz WWDFFAVSYDBMMG-VIFPVBQESA-N 1 1 209.239 2.418 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OC)c1C ZINC000491699152 388312387 /nfs/dbraw/zinc/31/23/87/388312387.db2.gz BFUPGVVTQMRHMY-UHFFFAOYSA-N 1 1 247.338 2.467 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491706868 388313465 /nfs/dbraw/zinc/31/34/65/388313465.db2.gz FHTAGPMOPVDIMN-CFNZNRNTSA-N 1 1 244.338 2.447 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000491719303 388314444 /nfs/dbraw/zinc/31/44/44/388314444.db2.gz YRUZXZOIHLCPSE-JTQLQIEISA-N 1 1 247.729 2.441 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000491719303 388314445 /nfs/dbraw/zinc/31/44/45/388314445.db2.gz YRUZXZOIHLCPSE-JTQLQIEISA-N 1 1 247.729 2.441 20 30 BEEDMO C#CCn1ccc(C[N@H+](CC)CC2(C)CC2)n1 ZINC000491730896 388315481 /nfs/dbraw/zinc/31/54/81/388315481.db2.gz JWHPTJYOFQSUBC-UHFFFAOYSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000491731681 388315964 /nfs/dbraw/zinc/31/59/64/388315964.db2.gz JAZLYZFBJOQTAL-UHFFFAOYSA-N 1 1 226.279 2.407 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000491731681 388315965 /nfs/dbraw/zinc/31/59/65/388315965.db2.gz JAZLYZFBJOQTAL-UHFFFAOYSA-N 1 1 226.279 2.407 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000491736505 388316487 /nfs/dbraw/zinc/31/64/87/388316487.db2.gz AYCJTJYPXLJSEY-UHFFFAOYSA-N 1 1 218.325 2.463 20 30 BEEDMO C#CC[N@@H+](CC1CCC2(CC1)OCCO2)C1CC1 ZINC000491738576 388316549 /nfs/dbraw/zinc/31/65/49/388316549.db2.gz RKBLQIOMAKPKLQ-UHFFFAOYSA-N 1 1 249.354 2.017 20 30 BEEDMO C#CC[N@@H+](CC#CC)C[C@@H]1CCCC1(F)F ZINC000491743321 388317086 /nfs/dbraw/zinc/31/70/86/388317086.db2.gz RCEBDUOIEGISNP-LBPRGKRZSA-N 1 1 225.282 2.380 20 30 BEEDMO C#CC[N@H+](CC#CC)C[C@@H]1CCCC1(F)F ZINC000491743321 388317087 /nfs/dbraw/zinc/31/70/87/388317087.db2.gz RCEBDUOIEGISNP-LBPRGKRZSA-N 1 1 225.282 2.380 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000491746227 388317215 /nfs/dbraw/zinc/31/72/15/388317215.db2.gz YJRGEJBWKDXSRV-LLVKDONJSA-N 1 1 227.311 2.027 20 30 BEEDMO C#CC[N@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491750436 388317700 /nfs/dbraw/zinc/31/77/00/388317700.db2.gz SBSOIDOMDWJMIH-FNORWQNLSA-N 1 1 230.311 2.059 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCc1cccc(F)c1F ZINC000491751115 388317884 /nfs/dbraw/zinc/31/78/84/388317884.db2.gz JTYFYWCHZOWHHE-SNVBAGLBSA-N 1 1 223.266 2.461 20 30 BEEDMO C#CC[N@H+](CCC1(O)CCC1)C1CCCC1 ZINC000491753940 388318276 /nfs/dbraw/zinc/31/82/76/388318276.db2.gz QPWBSLYNQNXXOA-UHFFFAOYSA-N 1 1 221.344 2.169 20 30 BEEDMO C#CC(C)(C)[N@H+](C)C[C@H](O)CCC(C)C ZINC000491771498 388319294 /nfs/dbraw/zinc/31/92/94/388319294.db2.gz RSERBGJNPXLTOP-GFCCVEGCSA-N 1 1 211.349 2.127 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC000491781092 388320373 /nfs/dbraw/zinc/32/03/73/388320373.db2.gz FUIZHBPQSJOGFA-LLVKDONJSA-N 1 1 205.276 2.322 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCOc1cccc(OC)c1 ZINC000491788064 388321139 /nfs/dbraw/zinc/32/11/39/388321139.db2.gz RVOYLDBDENDIBY-LBPRGKRZSA-N 1 1 233.311 2.028 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000491788602 388321190 /nfs/dbraw/zinc/32/11/90/388321190.db2.gz STUXHSVUTZOOEN-SMDDNHRTSA-N 1 1 235.302 2.121 20 30 BEEDMO C#CC[N@@H+](CCCO[C@@H]1CCCCO1)C1CC1 ZINC000491804567 388321729 /nfs/dbraw/zinc/32/17/29/388321729.db2.gz LVRAXYAOCCJYOY-CQSZACIVSA-N 1 1 237.343 2.017 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccn(CCC)c1 ZINC000491805838 388321791 /nfs/dbraw/zinc/32/17/91/388321791.db2.gz PKVSCFWKUIFPEM-GFCCVEGCSA-N 1 1 204.317 2.352 20 30 BEEDMO C#CC[N@@H+](CC1(Br)CC1)C1CC1 ZINC000491808750 388322347 /nfs/dbraw/zinc/32/23/47/388322347.db2.gz WASFJJUHVHXXPM-UHFFFAOYSA-N 1 1 228.133 2.012 20 30 BEEDMO C#CC[N@H+](CC1(Br)CC1)C1CC1 ZINC000491808750 388322348 /nfs/dbraw/zinc/32/23/48/388322348.db2.gz WASFJJUHVHXXPM-UHFFFAOYSA-N 1 1 228.133 2.012 20 30 BEEDMO C#CC[N@H+](CCC(C)(C)O)C1CCCCC1 ZINC000490973979 388262816 /nfs/dbraw/zinc/26/28/16/388262816.db2.gz MSLDEFQNLSNATI-UHFFFAOYSA-N 1 1 223.360 2.415 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367639 388266113 /nfs/dbraw/zinc/26/61/13/388266113.db2.gz KHVIPCXNGCXUIZ-YXMSTPNBSA-N 1 1 247.382 2.458 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000491037089 388266377 /nfs/dbraw/zinc/26/63/77/388266377.db2.gz BPGDAZVDBITRFP-RKDXNWHRSA-N 1 1 205.223 2.282 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C(=O)OC)oc1C ZINC000491070307 388267907 /nfs/dbraw/zinc/26/79/07/388267907.db2.gz APAKASDTFYZWOU-UHFFFAOYSA-N 1 1 249.310 2.218 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cc(C(=O)OC)oc1C ZINC000491070307 388267909 /nfs/dbraw/zinc/26/79/09/388267909.db2.gz APAKASDTFYZWOU-UHFFFAOYSA-N 1 1 249.310 2.218 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000491072592 388268027 /nfs/dbraw/zinc/26/80/27/388268027.db2.gz UCJCCUSPUNIOHJ-GFCCVEGCSA-N 1 1 245.322 2.222 20 30 BEEDMO C#CC[N@@H+](CCOCCC#N)C1CCCCC1 ZINC000491120868 388270963 /nfs/dbraw/zinc/27/09/63/388270963.db2.gz OGCFBHJNEJAJFQ-UHFFFAOYSA-N 1 1 234.343 2.185 20 30 BEEDMO C#CCn1ccc(C[N@H+](CC)CC[C@H](C)F)n1 ZINC000491210441 388278101 /nfs/dbraw/zinc/27/81/01/388278101.db2.gz UJGFEVRTXINHNJ-LBPRGKRZSA-N 1 1 237.322 2.086 20 30 BEEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@H](C)F)n1 ZINC000491210441 388278102 /nfs/dbraw/zinc/27/81/02/388278102.db2.gz UJGFEVRTXINHNJ-LBPRGKRZSA-N 1 1 237.322 2.086 20 30 BEEDMO CCO[C@H]1CC[N@@H+](CC2(C#N)CC2)C[C@@H]1C ZINC000451544942 388278260 /nfs/dbraw/zinc/27/82/60/388278260.db2.gz QKYHLFJLNUIDSK-RYUDHWBXSA-N 1 1 222.332 2.037 20 30 BEEDMO CCO[C@H]1CC[N@@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000451544949 388280547 /nfs/dbraw/zinc/28/05/47/388280547.db2.gz QLQQGHIZSRNWOM-OLZOCXBDSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@H]1C[C@@H]1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459618131 388365806 /nfs/dbraw/zinc/36/58/06/388365806.db2.gz RSFUSJXJTQGJPY-WCQYABFASA-N 1 1 242.322 2.277 20 30 BEEDMO COC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000271169592 388375194 /nfs/dbraw/zinc/37/51/94/388375194.db2.gz IODNLBOCXWVCNJ-JTQLQIEISA-N 1 1 236.340 2.088 20 30 BEEDMO COC(=O)C(C)(C)CC[N@@H+](CCC#N)C(C)C ZINC000525976995 388440008 /nfs/dbraw/zinc/44/00/08/388440008.db2.gz VOUANHJPSFNGEF-UHFFFAOYSA-N 1 1 240.347 2.200 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCCc1ccccc1 ZINC000649246393 388467717 /nfs/dbraw/zinc/46/77/17/388467717.db2.gz UBRPMXJWYZSYDA-OAHLLOKOSA-N 1 1 233.355 2.488 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1F ZINC000649244925 388467723 /nfs/dbraw/zinc/46/77/23/388467723.db2.gz SGDUWQPATHVNSA-CYBMUJFWSA-N 1 1 241.281 2.334 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(F)cc1F ZINC000649244925 388467725 /nfs/dbraw/zinc/46/77/25/388467725.db2.gz SGDUWQPATHVNSA-CYBMUJFWSA-N 1 1 241.281 2.334 20 30 BEEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000649249359 388469237 /nfs/dbraw/zinc/46/92/37/388469237.db2.gz XBVMGQGIFSSDFV-HNNXBMFYSA-N 1 1 249.354 2.454 20 30 BEEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648853313 388470781 /nfs/dbraw/zinc/47/07/81/388470781.db2.gz UZKJKNOMKGIBLD-JHJVBQTASA-N 1 1 238.375 2.188 20 30 BEEDMO C=CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648874850 388477742 /nfs/dbraw/zinc/47/77/42/388477742.db2.gz VJJSFKYIYKJATC-LBPRGKRZSA-N 1 1 249.358 2.431 20 30 BEEDMO C[C@@H](NC[C@@H](C)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271920710 388412312 /nfs/dbraw/zinc/41/23/12/388412312.db2.gz DSFHAPASXDZEOQ-GHMZBOCLSA-N 1 1 249.333 2.298 20 30 BEEDMO C#CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000069520255 388418421 /nfs/dbraw/zinc/41/84/21/388418421.db2.gz YBHPOVOHOSULGS-GFCCVEGCSA-N 1 1 229.279 2.185 20 30 BEEDMO C#CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175379521 388430909 /nfs/dbraw/zinc/43/09/09/388430909.db2.gz FZRYMTNVHVSBGG-MEDUHNTESA-N 1 1 235.352 2.050 20 30 BEEDMO C#CC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175379521 388430910 /nfs/dbraw/zinc/43/09/10/388430910.db2.gz FZRYMTNVHVSBGG-MEDUHNTESA-N 1 1 235.352 2.050 20 30 BEEDMO C=C(CC)CSC[C@@H]1C[N@H+](C)CCO1 ZINC000517235266 388544304 /nfs/dbraw/zinc/54/43/04/388544304.db2.gz LCHRBKSUZOFAFH-NSHDSACASA-N 1 1 215.362 2.016 20 30 BEEDMO C=C(CC)CSC[C@@H]1C[N@@H+](C)CCO1 ZINC000517235266 388544306 /nfs/dbraw/zinc/54/43/06/388544306.db2.gz LCHRBKSUZOFAFH-NSHDSACASA-N 1 1 215.362 2.016 20 30 BEEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343553266 388501133 /nfs/dbraw/zinc/50/11/33/388501133.db2.gz PQOYLFZYZRTKCI-OAHLLOKOSA-N 1 1 244.338 2.221 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178512875 388501558 /nfs/dbraw/zinc/50/15/58/388501558.db2.gz BWLFMPYDXQEHTN-LLVKDONJSA-N 1 1 225.332 2.226 20 30 BEEDMO C[C@@H]1CC(C)(C)C[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528524885 388501822 /nfs/dbraw/zinc/50/18/22/388501822.db2.gz LTOPWXQTHIFEOS-VXGBXAGGSA-N 1 1 236.359 2.162 20 30 BEEDMO CCN1CC[C@@H]([N@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461374 388535496 /nfs/dbraw/zinc/53/54/96/388535496.db2.gz RVTJWZJPEXOCEE-ZIAGYGMSSA-N 1 1 237.391 2.342 20 30 BEEDMO CCN1CC[C@@H]([N@@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461374 388535499 /nfs/dbraw/zinc/53/54/99/388535499.db2.gz RVTJWZJPEXOCEE-ZIAGYGMSSA-N 1 1 237.391 2.342 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000185667748 388590152 /nfs/dbraw/zinc/59/01/52/388590152.db2.gz GQFOOKXLENYVOO-QWHCGFSZSA-N 1 1 238.375 2.141 20 30 BEEDMO C[C@@H](Nc1ccc(C#N)cn1)C1=CC[N@@H+](C)CC1 ZINC000273054937 388590918 /nfs/dbraw/zinc/59/09/18/388590918.db2.gz XWFAXLYRSSVLPQ-LLVKDONJSA-N 1 1 242.326 2.016 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)NCC[N@H+](CC)CCC ZINC000185753009 388591030 /nfs/dbraw/zinc/59/10/30/388591030.db2.gz GEHYZCGWEMVOAG-ZDUSSCGKSA-N 1 1 240.391 2.437 20 30 BEEDMO C[C@@H](O)CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000354872275 388601766 /nfs/dbraw/zinc/60/17/66/388601766.db2.gz POONOTQPWFYPHN-GFCCVEGCSA-N 1 1 232.327 2.151 20 30 BEEDMO CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000296647889 388601872 /nfs/dbraw/zinc/60/18/72/388601872.db2.gz XDXBHIGNCRXQLR-CQSZACIVSA-N 1 1 232.327 2.151 20 30 BEEDMO CCC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000296647878 388601910 /nfs/dbraw/zinc/60/19/10/388601910.db2.gz XDXBHIGNCRXQLR-AWEZNQCLSA-N 1 1 232.327 2.151 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](CC)CC1 ZINC000649315981 388604797 /nfs/dbraw/zinc/60/47/97/388604797.db2.gz HWTKSYQNXPKLFG-STQMWFEESA-N 1 1 211.349 2.436 20 30 BEEDMO CC[N@@H+](CCNc1ncccc1C#N)C(C)C ZINC000301202911 388609756 /nfs/dbraw/zinc/60/97/56/388609756.db2.gz XINDQEJAJLPSGD-UHFFFAOYSA-N 1 1 232.331 2.095 20 30 BEEDMO CC[N@@H+](CCNc1ccc(C#N)nc1)C(C)C ZINC000357268792 388613407 /nfs/dbraw/zinc/61/34/07/388613407.db2.gz YUJLCVGLLGHUNF-UHFFFAOYSA-N 1 1 232.331 2.095 20 30 BEEDMO C=CCCCC[N@H+]1CCO[C@@H](COCC)C1 ZINC000528732312 388563853 /nfs/dbraw/zinc/56/38/53/388563853.db2.gz PBGKDALQYFJELW-CYBMUJFWSA-N 1 1 227.348 2.080 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528791801 388573942 /nfs/dbraw/zinc/57/39/42/388573942.db2.gz GQZUQXWGCIIISM-GFCCVEGCSA-N 1 1 233.315 2.285 20 30 BEEDMO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000387442382 388581619 /nfs/dbraw/zinc/58/16/19/388581619.db2.gz PSAKXLGUERTYJB-YNEHKIRRSA-N 1 1 210.365 2.271 20 30 BEEDMO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076345821 388665789 /nfs/dbraw/zinc/66/57/89/388665789.db2.gz RMSCNZZFYIEYOC-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000076345821 388665790 /nfs/dbraw/zinc/66/57/90/388665790.db2.gz RMSCNZZFYIEYOC-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000519679191 388665803 /nfs/dbraw/zinc/66/58/03/388665803.db2.gz HZEBMOABOQYSKF-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCOC1 ZINC000078436440 388680822 /nfs/dbraw/zinc/68/08/22/388680822.db2.gz XXUFJLSGBQWKRN-LBPRGKRZSA-N 1 1 248.301 2.166 20 30 BEEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000368668661 388682356 /nfs/dbraw/zinc/68/23/56/388682356.db2.gz BYYCQTXGOQBHGV-GFCCVEGCSA-N 1 1 248.326 2.400 20 30 BEEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000404282231 388633781 /nfs/dbraw/zinc/63/37/81/388633781.db2.gz SKQIOTSVWHDJDR-UHFFFAOYSA-N 1 1 232.327 2.415 20 30 BEEDMO C#CC[N@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000189543677 388637032 /nfs/dbraw/zinc/63/70/32/388637032.db2.gz SRWCNNDVQNSUKN-LLVKDONJSA-N 1 1 249.276 2.178 20 30 BEEDMO CC#CCC[N@H+](CCC)[C@H](CC)C(=O)OCC ZINC000190347802 388649352 /nfs/dbraw/zinc/64/93/52/388649352.db2.gz KFPNYORQTCTNTK-CYBMUJFWSA-N 1 1 239.359 2.454 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000246791488 388651367 /nfs/dbraw/zinc/65/13/67/388651367.db2.gz SFPVWYURNSDEAZ-AVGNSLFASA-N 1 1 238.375 2.045 20 30 BEEDMO CN(C)CC(C)(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000308638669 388660883 /nfs/dbraw/zinc/66/08/83/388660883.db2.gz WOWBEZXVPBOVME-UHFFFAOYSA-N 1 1 249.333 2.127 20 30 BEEDMO Cc1cc(C[N@H+](C)CC2(CO)CC2)ccc1C#N ZINC000488982325 388663878 /nfs/dbraw/zinc/66/38/78/388663878.db2.gz LLBJESCAVPGBJR-UHFFFAOYSA-N 1 1 244.338 2.071 20 30 BEEDMO CC(C)[N@H+](Cc1cc(C#N)cs1)C[C@@H](C)O ZINC000093145443 388740143 /nfs/dbraw/zinc/74/01/43/388740143.db2.gz VXLZHYWIJQGQDF-SNVBAGLBSA-N 1 1 238.356 2.211 20 30 BEEDMO C[C@]1(O)CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000124234883 388742781 /nfs/dbraw/zinc/74/27/81/388742781.db2.gz WIXMJHGPGSPFQE-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000124234883 388742782 /nfs/dbraw/zinc/74/27/82/388742782.db2.gz WIXMJHGPGSPFQE-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO C=C(CC)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000539104769 388747724 /nfs/dbraw/zinc/74/77/24/388747724.db2.gz XGQXGODIDPMFLI-UHFFFAOYSA-N 1 1 241.375 2.205 20 30 BEEDMO C[N@@H+](Cc1cc(C#N)cs1)CC(C)(C)CO ZINC000449428317 388749721 /nfs/dbraw/zinc/74/97/21/388749721.db2.gz UBSDPOASKYFCSO-UHFFFAOYSA-N 1 1 238.356 2.070 20 30 BEEDMO CC[C@@H](NC[C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000423275757 388689599 /nfs/dbraw/zinc/68/95/99/388689599.db2.gz NIMFLVSYCGJRDJ-IUODEOHRSA-N 1 1 245.370 2.454 20 30 BEEDMO C[C@@H](NCCC[NH2+]C1CC1)c1cccc(C#N)c1 ZINC000423549146 388692417 /nfs/dbraw/zinc/69/24/17/388692417.db2.gz HKQDLARIRFMWOX-GFCCVEGCSA-N 1 1 243.354 2.351 20 30 BEEDMO C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000423379226 388692772 /nfs/dbraw/zinc/69/27/72/388692772.db2.gz MQRGZTLERRUZEF-XUJVJEKNSA-N 1 1 243.354 2.349 20 30 BEEDMO C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc(C#N)c1 ZINC000423379223 388693283 /nfs/dbraw/zinc/69/32/83/388693283.db2.gz MQRGZTLERRUZEF-JMSVASOKSA-N 1 1 243.354 2.349 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)CC ZINC000193175011 388693400 /nfs/dbraw/zinc/69/34/00/388693400.db2.gz YCKBDBPZYJTSJA-NWDGAFQWSA-N 1 1 226.364 2.188 20 30 BEEDMO C=CCCCCC[N@@H+](CC(N)=O)C(C)(C)C ZINC000193411208 388703871 /nfs/dbraw/zinc/70/38/71/388703871.db2.gz TVGCVUVOWNAWSY-UHFFFAOYSA-N 1 1 226.364 2.319 20 30 BEEDMO COC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000081063621 388717426 /nfs/dbraw/zinc/71/74/26/388717426.db2.gz HOVWZXUDQJIMHA-AWEZNQCLSA-N 1 1 230.311 2.027 20 30 BEEDMO C[C@H](O)CC[N@@H+](C)CCCC(C)(C)C#N ZINC000128809525 388796004 /nfs/dbraw/zinc/79/60/04/388796004.db2.gz IYOXTXNRFAXREY-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000280436179 388781095 /nfs/dbraw/zinc/78/10/95/388781095.db2.gz JYKWQIHKOZSQMY-NWDGAFQWSA-N 1 1 248.326 2.277 20 30 BEEDMO C#CC[N@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001645493219 1172674879 /nfs/dbraw/zinc/67/48/79/1172674879.db2.gz JKXAOPLPOOIEDE-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO CO[C@@]1(C)CCC[N@@H+](CCCCC#N)C1 ZINC000230265323 388821854 /nfs/dbraw/zinc/82/18/54/388821854.db2.gz ZKTUVGOVJOHVOU-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO CC1(C)C[N@H+](CC2(C#N)CC2)CCS1 ZINC000334466597 388824623 /nfs/dbraw/zinc/82/46/23/388824623.db2.gz DKCBUCSSACOXDR-UHFFFAOYSA-N 1 1 210.346 2.118 20 30 BEEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)CCS1 ZINC000334466597 388824628 /nfs/dbraw/zinc/82/46/28/388824628.db2.gz DKCBUCSSACOXDR-UHFFFAOYSA-N 1 1 210.346 2.118 20 30 BEEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334831609 388825772 /nfs/dbraw/zinc/82/57/72/388825772.db2.gz IKEOONBXCHVVQX-UWVGGRQHSA-N 1 1 204.273 2.382 20 30 BEEDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(C#N)cc1 ZINC000037508478 388885916 /nfs/dbraw/zinc/88/59/16/388885916.db2.gz XOHPNNMMKUHIJC-JTQLQIEISA-N 1 1 226.283 2.132 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001172494383 974844730 /nfs/dbraw/zinc/84/47/30/974844730.db2.gz TVQMTBQCYLNGTP-UPJWGTAASA-N 1 1 224.348 2.162 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC001172494381 974845080 /nfs/dbraw/zinc/84/50/80/974845080.db2.gz TVQMTBQCYLNGTP-JHJVBQTASA-N 1 1 224.348 2.162 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1nn(CC)c2ccccc12 ZINC000123459290 533298440 /nfs/dbraw/zinc/29/84/40/533298440.db2.gz KXHKDKHCQIUTFH-NSHDSACASA-N 1 1 227.311 2.168 20 30 BEEDMO C=C(C)C[N@H+](C)CC(=O)N1CCCC[C@@H]1CC 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ZINC001646113099 1172710316 /nfs/dbraw/zinc/71/03/16/1172710316.db2.gz YAQNCIWHCNFLKQ-GFCCVEGCSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NC1CCCC1 ZINC000298674778 133459623 /nfs/dbraw/zinc/45/96/23/133459623.db2.gz LMXMBBQZJQXEFX-GFCCVEGCSA-N 1 1 236.359 2.108 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001172498125 974848926 /nfs/dbraw/zinc/84/89/26/974848926.db2.gz IYTPLBZPQVIOGG-KKOKHZNYSA-N 1 1 210.296 2.216 20 30 BEEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000351985857 134026130 /nfs/dbraw/zinc/02/61/30/134026130.db2.gz BWFRVFOXGZEIFL-CQSZACIVSA-N 1 1 234.343 2.365 20 30 BEEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000351985857 134026131 /nfs/dbraw/zinc/02/61/31/134026131.db2.gz BWFRVFOXGZEIFL-CQSZACIVSA-N 1 1 234.343 2.365 20 30 BEEDMO C[N@H+]1CCCC12CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967935 134028903 /nfs/dbraw/zinc/02/89/03/134028903.db2.gz OPYUJLGSPUJDES-KGLIPLIRSA-N 1 1 247.386 2.239 20 30 BEEDMO CC#CC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000336005850 134048834 /nfs/dbraw/zinc/04/88/34/134048834.db2.gz GMKYERYHVOVVMT-OLZOCXBDSA-N 1 1 219.328 2.043 20 30 BEEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC1(C#N)CCC1 ZINC000336201584 134130919 /nfs/dbraw/zinc/13/09/19/134130919.db2.gz ZGDBBJIMTSFCRT-KGLIPLIRSA-N 1 1 247.386 2.239 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000352405295 134143984 /nfs/dbraw/zinc/14/39/84/134143984.db2.gz HBFAUXPYQAIPCJ-YPMHNXCESA-N 1 1 209.333 2.452 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000352405294 134144038 /nfs/dbraw/zinc/14/40/38/134144038.db2.gz HBFAUXPYQAIPCJ-WCQYABFASA-N 1 1 209.333 2.452 20 30 BEEDMO C=C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000336573917 134150225 /nfs/dbraw/zinc/15/02/25/134150225.db2.gz WKGLRRPLNOJLKU-ZDUSSCGKSA-N 1 1 236.359 2.039 20 30 BEEDMO C=C1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000336628999 134152511 /nfs/dbraw/zinc/15/25/11/134152511.db2.gz CANGYUKQQGYLHZ-UHFFFAOYSA-N 1 1 218.300 2.242 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000352816024 134152606 /nfs/dbraw/zinc/15/26/06/134152606.db2.gz NUSYZBBGRPRYEJ-UHFFFAOYSA-N 1 1 229.274 2.156 20 30 BEEDMO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H](C)[N@@H+]1C ZINC000334152503 134154675 /nfs/dbraw/zinc/15/46/75/134154675.db2.gz XBVVQOPJWNLCLX-GASCZTMLSA-N 1 1 242.366 2.063 20 30 BEEDMO C=C(C)CC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352889330 134157274 /nfs/dbraw/zinc/15/72/74/134157274.db2.gz YBEJHJJFSROCDR-SLEUVZQESA-N 1 1 229.389 2.184 20 30 BEEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC12CCC2 ZINC000353009572 134158817 /nfs/dbraw/zinc/15/88/17/134158817.db2.gz GTVZYCPMYJXJRE-NSHDSACASA-N 1 1 203.289 2.058 20 30 BEEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC12CCC2 ZINC000353009572 134158818 /nfs/dbraw/zinc/15/88/18/134158818.db2.gz GTVZYCPMYJXJRE-NSHDSACASA-N 1 1 203.289 2.058 20 30 BEEDMO CC(C)[C@@H]1CC[N@@H+]1C[C@H](C#N)CCC#N ZINC000353052655 134159469 /nfs/dbraw/zinc/15/94/69/134159469.db2.gz QKEMNGRTJMUSDB-RYUDHWBXSA-N 1 1 205.305 2.160 20 30 BEEDMO CC(C)[C@@H]1CC[N@H+]1C[C@H](C#N)CCC#N ZINC000353052655 134159470 /nfs/dbraw/zinc/15/94/70/134159470.db2.gz QKEMNGRTJMUSDB-RYUDHWBXSA-N 1 1 205.305 2.160 20 30 BEEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCCC#N)C1 ZINC000353321970 134163088 /nfs/dbraw/zinc/16/30/88/134163088.db2.gz SCRQOJLLZXDXQG-HIFRSBDPSA-N 1 1 243.354 2.325 20 30 BEEDMO CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000353482752 134163987 /nfs/dbraw/zinc/16/39/87/134163987.db2.gz MSMDZAXQPCJCRU-BFHYXJOUSA-N 1 1 237.391 2.389 20 30 BEEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[C@@H](C#N)C1 ZINC000353482752 134163988 /nfs/dbraw/zinc/16/39/88/134163988.db2.gz MSMDZAXQPCJCRU-BFHYXJOUSA-N 1 1 237.391 2.389 20 30 BEEDMO Cc1noc([C@H]2CCC[N@@H+]2CCC(C)(C)C#N)n1 ZINC000353555331 134164169 /nfs/dbraw/zinc/16/41/69/134164169.db2.gz NXHCWLQKBQQAKZ-LLVKDONJSA-N 1 1 248.330 2.455 20 30 BEEDMO Cc1noc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000353555331 134164170 /nfs/dbraw/zinc/16/41/70/134164170.db2.gz NXHCWLQKBQQAKZ-LLVKDONJSA-N 1 1 248.330 2.455 20 30 BEEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000353605896 134164755 /nfs/dbraw/zinc/16/47/55/134164755.db2.gz CKPLJIIHUKGBHQ-TUAOUCFPSA-N 1 1 233.359 2.457 20 30 BEEDMO C[N@@H+](C[C@@H]1CCSC1)CC(C)(C)C#N ZINC000354019200 134166246 /nfs/dbraw/zinc/16/62/46/134166246.db2.gz VHCDNXRHSFCVPD-JTQLQIEISA-N 1 1 212.362 2.221 20 30 BEEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)ccn1 ZINC000356451967 134178348 /nfs/dbraw/zinc/17/83/48/134178348.db2.gz HQZXQYPXTVDALZ-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO C=CCCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357007009 134181780 /nfs/dbraw/zinc/18/17/80/134181780.db2.gz DEFPZCMEEVCFKR-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC[N@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000357549672 134184232 /nfs/dbraw/zinc/18/42/32/134184232.db2.gz CMVLEOASNCMULS-QGZVFWFLSA-N 1 1 249.379 2.445 20 30 BEEDMO C=CC[N@@H+](CC[S@@](=O)c1ccccc1)C1CC1 ZINC000357549672 134184233 /nfs/dbraw/zinc/18/42/33/134184233.db2.gz CMVLEOASNCMULS-QGZVFWFLSA-N 1 1 249.379 2.445 20 30 BEEDMO C=CC[N@H+](CCc1c(C)noc1C)C1CC1 ZINC000357550600 134184284 /nfs/dbraw/zinc/18/42/84/134184284.db2.gz GOBWKJSCMHHVHD-UHFFFAOYSA-N 1 1 220.316 2.484 20 30 BEEDMO C=CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC000357963392 134186375 /nfs/dbraw/zinc/18/63/75/134186375.db2.gz KOZJWMAVXFDKLW-TXEJJXNPSA-N 1 1 236.359 2.036 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(OC)nc1C ZINC000358284290 134187586 /nfs/dbraw/zinc/18/75/86/134187586.db2.gz WHVBPWRSODWBMD-LBPRGKRZSA-N 1 1 247.342 2.489 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358698210 134191919 /nfs/dbraw/zinc/19/19/19/134191919.db2.gz TVJPOCNEEOZFLW-MBNYWOFBSA-N 1 1 238.375 2.140 20 30 BEEDMO C=CCN(CC=C)c1[nH+]cnc2[nH]ccc21 ZINC000359016437 134193555 /nfs/dbraw/zinc/19/35/55/134193555.db2.gz QMVSXMPANNBBKJ-UHFFFAOYSA-N 1 1 214.272 2.136 20 30 BEEDMO CC[N@H+](C[C@H](O)CCC(C)C)C[C@H](C)C#N ZINC000361264766 134204220 /nfs/dbraw/zinc/20/42/20/134204220.db2.gz GMHHSWRNGHFKIV-CHWSQXEVSA-N 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/nfs/dbraw/zinc/23/77/77/535237777.db2.gz VDVBOKQDRDUDPU-UONOGXRCSA-N 1 1 249.358 2.177 20 30 BEEDMO CC(C)[C@@H]1C[N@@H+](CC2(C#N)CC2)CCCO1 ZINC000335734161 535263571 /nfs/dbraw/zinc/26/35/71/535263571.db2.gz MIWARKIHZAZWLH-LBPRGKRZSA-N 1 1 222.332 2.037 20 30 BEEDMO CCCN(CC#N)Cc1[nH+]cc(C)c(OC)c1C ZINC000045092467 535275086 /nfs/dbraw/zinc/27/50/86/535275086.db2.gz JEXQGZQDMYLWMM-UHFFFAOYSA-N 1 1 247.342 2.443 20 30 BEEDMO CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000078795580 535517873 /nfs/dbraw/zinc/51/78/73/535517873.db2.gz ZUIMSGWYZBACET-UHFFFAOYSA-N 1 1 243.354 2.086 20 30 BEEDMO CCOCC[N@@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC000338981286 535588167 /nfs/dbraw/zinc/58/81/67/535588167.db2.gz KYIZXAHZBXSIMW-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO CC[N@H+]1CCN(c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000286189978 535746902 /nfs/dbraw/zinc/74/69/02/535746902.db2.gz AZAVOUZBTGYQMK-NSHDSACASA-N 1 1 247.317 2.228 20 30 BEEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000361588706 535766194 /nfs/dbraw/zinc/76/61/94/535766194.db2.gz NDIGVYSHNSESJB-OAHLLOKOSA-N 1 1 247.313 2.288 20 30 BEEDMO CCC[C@]1(CO)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339206710 535768898 /nfs/dbraw/zinc/76/88/98/535768898.db2.gz WWEMVNOMDZBJTE-MCIONIFRSA-N 1 1 236.359 2.163 20 30 BEEDMO C[N@@H+](CCC1CCOCC1)CC1(C#N)CC1 ZINC000258872705 536326426 /nfs/dbraw/zinc/32/64/26/536326426.db2.gz IAMYCYBTFNSLNA-UHFFFAOYSA-N 1 1 222.332 2.039 20 30 BEEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cn[nH]c1 ZINC000330309457 536356025 /nfs/dbraw/zinc/35/60/25/536356025.db2.gz UFYUINLDBBKIKO-NSHDSACASA-N 1 1 236.319 2.262 20 30 BEEDMO CO[C@H](Cc1ccccc1)C[N@H+](C)[C@H](C)CC#N ZINC000296712649 536652019 /nfs/dbraw/zinc/65/20/19/536652019.db2.gz GOZPJWMATPQABX-UKRRQHHQSA-N 1 1 246.354 2.478 20 30 BEEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@H](C)CC#N ZINC000296712649 536652028 /nfs/dbraw/zinc/65/20/28/536652028.db2.gz GOZPJWMATPQABX-UKRRQHHQSA-N 1 1 246.354 2.478 20 30 BEEDMO COC1CC([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000348711362 536717197 /nfs/dbraw/zinc/71/71/97/536717197.db2.gz QPBHVOHTTQLTAC-UHFFFAOYSA-N 1 1 236.340 2.229 20 30 BEEDMO COC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000338994130 536761227 /nfs/dbraw/zinc/76/12/27/536761227.db2.gz FPPCXNQEFBGYKT-YNEHKIRRSA-N 1 1 222.332 2.037 20 30 BEEDMO COCC[C@H]1CCCC[N@@H+](CC2(C#N)CC2)C1 ZINC000342748081 536822307 /nfs/dbraw/zinc/82/23/07/536822307.db2.gz MXMMHAZFSIZBGW-CYBMUJFWSA-N 1 1 236.359 2.429 20 30 BEEDMO C=CC[N@@H+](Cc1ccc(OC)o1)C1CC1 ZINC000893558704 583164026 /nfs/dbraw/zinc/16/40/26/583164026.db2.gz CPEAPPHXOGUTAT-UHFFFAOYSA-N 1 1 207.273 2.439 20 30 BEEDMO C=CC[N@H+](Cc1ccc(OC)o1)C1CC1 ZINC000893558704 583164027 /nfs/dbraw/zinc/16/40/27/583164027.db2.gz CPEAPPHXOGUTAT-UHFFFAOYSA-N 1 1 207.273 2.439 20 30 BEEDMO COc1cccc(C[NH2+][C@@H](C)CC#N)c1C ZINC000853080684 588718946 /nfs/dbraw/zinc/71/89/46/588718946.db2.gz CMJHBNFQNWOOHR-JTQLQIEISA-N 1 1 218.300 2.395 20 30 BEEDMO C#Cc1cccnc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000853183414 588723985 /nfs/dbraw/zinc/72/39/85/588723985.db2.gz IBQCLWGTTKXDFK-KBPBESRZSA-N 1 1 241.338 2.102 20 30 BEEDMO C#Cc1cccnc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000853234545 588727856 /nfs/dbraw/zinc/72/78/56/588727856.db2.gz FJXIDDSKSUYNTD-ZDUSSCGKSA-N 1 1 243.354 2.205 20 30 BEEDMO C#Cc1cccnc1NC[C@H]1CCCC[N@@H+]1CC ZINC000853313885 588732114 /nfs/dbraw/zinc/73/21/14/588732114.db2.gz PWEVEVQCRPXNMW-CQSZACIVSA-N 1 1 243.354 2.349 20 30 BEEDMO Cc1ccc(F)cc1N=NC1C[N@H+](C)C[C@H]1C ZINC000853394023 588740397 /nfs/dbraw/zinc/74/03/97/588740397.db2.gz WJFMJAAKHJSARD-SNVBAGLBSA-N 1 1 235.306 2.484 20 30 BEEDMO C#Cc1cccnc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000853434880 588742355 /nfs/dbraw/zinc/74/23/55/588742355.db2.gz CZVHHXFLGUPMRU-WCQYABFASA-N 1 1 241.338 2.100 20 30 BEEDMO C#Cc1cccnc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000853636773 588751432 /nfs/dbraw/zinc/75/14/32/588751432.db2.gz JCRMDZNBHYLPTO-LBPRGKRZSA-N 1 1 231.343 2.204 20 30 BEEDMO C#CCCC[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000854058466 588772634 /nfs/dbraw/zinc/77/26/34/588772634.db2.gz NKTLCMDJRAFSFC-UHFFFAOYSA-N 1 1 245.370 2.218 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000890549134 582470934 /nfs/dbraw/zinc/47/09/34/582470934.db2.gz HSERSDXXSXTXCO-GXTWGEPZSA-N 1 1 248.370 2.180 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000890563204 582479197 /nfs/dbraw/zinc/47/91/97/582479197.db2.gz PTADFZJCZMFWFT-QWHCGFSZSA-N 1 1 236.359 2.038 20 30 BEEDMO CC[N@H+]1CCC(=NOC/C=C/Cl)[C@@H](C)C1 ZINC000811669994 582488012 /nfs/dbraw/zinc/48/80/12/582488012.db2.gz XFBQREDQLWTYBR-MSINHTTBSA-N 1 1 230.739 2.473 20 30 BEEDMO C=C(Cl)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471061 582594877 /nfs/dbraw/zinc/59/48/77/582594877.db2.gz NHOZIVXPFYLZBZ-QMMMGPOBSA-N 1 1 207.651 2.470 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844471061 582594879 /nfs/dbraw/zinc/59/48/79/582594879.db2.gz NHOZIVXPFYLZBZ-QMMMGPOBSA-N 1 1 207.651 2.470 20 30 BEEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000891195395 582623329 /nfs/dbraw/zinc/62/33/29/582623329.db2.gz VBFFBYRAVUZYLZ-GFCCVEGCSA-N 1 1 238.375 2.141 20 30 BEEDMO C#Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000891313785 582662575 /nfs/dbraw/zinc/66/25/75/582662575.db2.gz YJSKXMGRSKNVEX-UHFFFAOYSA-N 1 1 242.322 2.091 20 30 BEEDMO C=C(Br)C[N@H+]1CCC[C@@H](COC)C1 ZINC000113509009 588842521 /nfs/dbraw/zinc/84/25/21/588842521.db2.gz XABISHALVAPFRX-SNVBAGLBSA-N 1 1 248.164 2.253 20 30 BEEDMO C=C(Br)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000113509009 588842522 /nfs/dbraw/zinc/84/25/22/588842522.db2.gz XABISHALVAPFRX-SNVBAGLBSA-N 1 1 248.164 2.253 20 30 BEEDMO Fc1ccc(F)c(C=NNc2cc[nH+]cc2)c1 ZINC000779809353 582738575 /nfs/dbraw/zinc/73/85/75/582738575.db2.gz WXQYJZAMRCFUIB-UHFFFAOYSA-N 1 1 233.221 2.228 20 30 BEEDMO C[C@H]1CC(N=Nc2ccnc(F)c2)C[N@H+]1C1CC1 ZINC000781131583 582851256 /nfs/dbraw/zinc/85/12/56/582851256.db2.gz ADBBAEDBGIDVHX-VIFPVBQESA-N 1 1 248.305 2.245 20 30 BEEDMO C=CCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000850501338 582923089 /nfs/dbraw/zinc/92/30/89/582923089.db2.gz AAJJDOCFSSWPTC-JTQLQIEISA-N 1 1 249.310 2.406 20 30 BEEDMO C=C[C@@H](C)Nc1cc[nH+]c(N[C@H](C)C=C)n1 ZINC000892890569 583006326 /nfs/dbraw/zinc/00/63/26/583006326.db2.gz COJVSEYNORUIDE-NXEZZACHSA-N 1 1 218.304 2.449 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893351470 583119028 /nfs/dbraw/zinc/11/90/28/583119028.db2.gz SDRCOOKWMWFYTK-UHFFFAOYSA-N 1 1 225.723 2.140 20 30 BEEDMO CCOCC[N@H+](C)Cc1csc(C#N)c1 ZINC000893427094 583141215 /nfs/dbraw/zinc/14/12/15/583141215.db2.gz KQOXWLCLUXQGLF-UHFFFAOYSA-N 1 1 224.329 2.088 20 30 BEEDMO CCOCC[N@@H+](C)Cc1csc(C#N)c1 ZINC000893427094 583141217 /nfs/dbraw/zinc/14/12/17/583141217.db2.gz KQOXWLCLUXQGLF-UHFFFAOYSA-N 1 1 224.329 2.088 20 30 BEEDMO C[C@@H](C#N)C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000893545988 583161445 /nfs/dbraw/zinc/16/14/45/583161445.db2.gz ZWSQARBWLUWNDQ-WDEREUQCSA-N 1 1 230.311 2.259 20 30 BEEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000893670048 583192442 /nfs/dbraw/zinc/19/24/42/583192442.db2.gz YBAYPKAPNLGDFH-WDEREUQCSA-N 1 1 249.383 2.144 20 30 BEEDMO C=CCC[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000893930178 583250470 /nfs/dbraw/zinc/25/04/70/583250470.db2.gz TWXVSJIPIOYZDP-UHFFFAOYSA-N 1 1 219.332 2.305 20 30 BEEDMO Cc1ncoc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000893931939 583251962 /nfs/dbraw/zinc/25/19/62/583251962.db2.gz VBGBDGGLRICNDF-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO Cc1ncoc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000893931939 583251965 /nfs/dbraw/zinc/25/19/65/583251965.db2.gz VBGBDGGLRICNDF-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO N#CC[C@@H]1CC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000894044697 583286721 /nfs/dbraw/zinc/28/67/21/583286721.db2.gz WKDLQROTQVZUMX-QWRGUYRKSA-N 1 1 241.298 2.224 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)cc1 ZINC000877751585 583346401 /nfs/dbraw/zinc/34/64/01/583346401.db2.gz HHXHCDGIVBQVHL-OAHLLOKOSA-N 1 1 243.350 2.261 20 30 BEEDMO C=CC[C@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000878602086 583385554 /nfs/dbraw/zinc/38/55/54/583385554.db2.gz WKAJORJWUXMVOH-LBPRGKRZSA-N 1 1 231.343 2.474 20 30 BEEDMO Cc1[nH]nc(CN2CCC[C@](C)(C#N)C2)c1C ZINC000894443384 583460332 /nfs/dbraw/zinc/46/03/32/583460332.db2.gz GFUQHDLFUDTDQU-CYBMUJFWSA-N 1 1 232.331 2.152 20 30 BEEDMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)[nH]1 ZINC000894467019 583467788 /nfs/dbraw/zinc/46/77/88/583467788.db2.gz GCQNYPMEROMIIU-DTWKUNHWSA-N 1 1 235.335 2.092 20 30 BEEDMO N#CCC[NH2+]C/C=C\c1cccc(F)c1 ZINC000894579122 583488095 /nfs/dbraw/zinc/48/80/95/583488095.db2.gz FWWJQHOIIURRBV-DJWKRKHSSA-N 1 1 204.248 2.342 20 30 BEEDMO C[N@@H+](Cc1csc(C#N)c1)CC(C)(C)CO ZINC000894688625 583507622 /nfs/dbraw/zinc/50/76/22/583507622.db2.gz XKMJFLNTFLLHQJ-UHFFFAOYSA-N 1 1 238.356 2.070 20 30 BEEDMO CCc1ncc(C[NH2+]CC#Cc2ccccc2)o1 ZINC000894755310 583516436 /nfs/dbraw/zinc/51/64/36/583516436.db2.gz ZMXAPTBBVVNLMH-UHFFFAOYSA-N 1 1 240.306 2.378 20 30 BEEDMO C[N@H+]1CCCC(=NNCC2CCCC2)CC1 ZINC000808005670 583582963 /nfs/dbraw/zinc/58/29/63/583582963.db2.gz JBPGXNMAEXXGAJ-UHFFFAOYSA-N 1 1 223.364 2.238 20 30 BEEDMO N#CCC1(C[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857865841 588915679 /nfs/dbraw/zinc/91/56/79/588915679.db2.gz PBWMFZIHICSBNE-LLVKDONJSA-N 1 1 230.315 2.071 20 30 BEEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC000857868204 588916427 /nfs/dbraw/zinc/91/64/27/588916427.db2.gz QVRSUJGABMJQAC-WCFLWFBJSA-N 1 1 244.342 2.459 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000794574157 583615220 /nfs/dbraw/zinc/61/52/20/583615220.db2.gz AJAQCCBVCVWCQX-UHFFFAOYSA-N 1 1 245.322 2.301 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)co2)C1 ZINC000895182115 583617766 /nfs/dbraw/zinc/61/77/66/583617766.db2.gz AJAFWXOBMTYEOG-GFCCVEGCSA-N 1 1 203.285 2.433 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895203420 583624182 /nfs/dbraw/zinc/62/41/82/583624182.db2.gz OXKSNTCDIFCASY-NSHDSACASA-N 1 1 245.351 2.241 20 30 BEEDMO C=CCNN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000794998408 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ZJHCVEPRGSRPCM-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)C[N@H+]1C ZINC000761792508 585418623 /nfs/dbraw/zinc/41/86/23/585418623.db2.gz LGBDKNUXCGYCLR-VIFPVBQESA-N 1 1 248.286 2.087 20 30 BEEDMO C[C@@H]1CC(=NNCCCc2ccccc2)C[N@@H+]1C ZINC000761809918 585418866 /nfs/dbraw/zinc/41/88/66/585418866.db2.gz OXTQMDAPLLDTEM-CYBMUJFWSA-N 1 1 245.370 2.289 20 30 BEEDMO C[C@@H]1CC(=NNCCCc2ccccc2)C[N@H+]1C ZINC000761809918 585418867 /nfs/dbraw/zinc/41/88/67/585418867.db2.gz OXTQMDAPLLDTEM-CYBMUJFWSA-N 1 1 245.370 2.289 20 30 BEEDMO CCCCCCCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000763886345 585456089 /nfs/dbraw/zinc/45/60/89/585456089.db2.gz USPREDGPBOSIKD-CQSZACIVSA-N 1 1 243.391 2.430 20 30 BEEDMO C#CC[N@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000764675938 585470616 /nfs/dbraw/zinc/47/06/16/585470616.db2.gz DDSZEHCYDFDJDS-UHFFFAOYSA-N 1 1 245.322 2.389 20 30 BEEDMO Cc1cccc(CNN=C2C[C@H](C)[N@@H+](C)C2)c1 ZINC000764713287 585471679 /nfs/dbraw/zinc/47/16/79/585471679.db2.gz AOSJMIMUZXKJGD-LBPRGKRZSA-N 1 1 231.343 2.165 20 30 BEEDMO Cc1cccc(CNN=C2C[C@H](C)[N@H+](C)C2)c1 ZINC000764713287 585471680 /nfs/dbraw/zinc/47/16/80/585471680.db2.gz AOSJMIMUZXKJGD-LBPRGKRZSA-N 1 1 231.343 2.165 20 30 BEEDMO COc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765565102 585489912 /nfs/dbraw/zinc/48/99/12/585489912.db2.gz QPMMAKKDLGWFPV-CQSZACIVSA-N 1 1 245.326 2.331 20 30 BEEDMO COc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765585084 585490516 /nfs/dbraw/zinc/49/05/16/585490516.db2.gz WQWOSZVHJHWTIP-AWEZNQCLSA-N 1 1 245.326 2.331 20 30 BEEDMO C=CC[N@@H+](Cc1cnn(C)c1C)C(C)C ZINC000766021491 585496202 /nfs/dbraw/zinc/49/62/02/585496202.db2.gz AIPVGQAJVWWYAS-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO C#CCCCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000766898550 585509755 /nfs/dbraw/zinc/50/97/55/585509755.db2.gz DKFOGIMSANSPHA-XQQFMLRXSA-N 1 1 237.343 2.204 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000766903437 585510545 /nfs/dbraw/zinc/51/05/45/585510545.db2.gz RNZVHYMXHHPEOR-NSHDSACASA-N 1 1 249.276 2.443 20 30 BEEDMO C#CCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000766903482 585510878 /nfs/dbraw/zinc/51/08/78/585510878.db2.gz SDIRXWDTZWLPLG-UHFFFAOYSA-N 1 1 221.344 2.292 20 30 BEEDMO C#CCCCN1CC[N@H+](C)CC12CCCCC2 ZINC000766906067 585511099 /nfs/dbraw/zinc/51/10/99/585511099.db2.gz PKQNUAMDHUSVQQ-UHFFFAOYSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000766918712 585511495 /nfs/dbraw/zinc/51/14/95/585511495.db2.gz NCRTWYYUGBDNFP-UHFFFAOYSA-N 1 1 241.338 2.419 20 30 BEEDMO C#CCCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000766917180 585511515 /nfs/dbraw/zinc/51/15/15/585511515.db2.gz FLNQUUHKMHUXLM-UHFFFAOYSA-N 1 1 215.296 2.164 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000766927679 585511778 /nfs/dbraw/zinc/51/17/78/585511778.db2.gz XHIIQEBKFPDCLV-ZBFHGGJFSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000766927679 585511779 /nfs/dbraw/zinc/51/17/79/585511779.db2.gz XHIIQEBKFPDCLV-ZBFHGGJFSA-N 1 1 246.398 2.349 20 30 BEEDMO C#CCCC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000766920947 585511930 /nfs/dbraw/zinc/51/19/30/585511930.db2.gz SEMMUTGYFSVDEU-UONOGXRCSA-N 1 1 222.376 2.062 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000766920947 585511931 /nfs/dbraw/zinc/51/19/31/585511931.db2.gz SEMMUTGYFSVDEU-UONOGXRCSA-N 1 1 222.376 2.062 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000766933037 585512225 /nfs/dbraw/zinc/51/22/25/585512225.db2.gz UBGKOAAYERKTLD-KBPBESRZSA-N 1 1 221.344 2.148 20 30 BEEDMO C=CC[N@@H+](CC[C@H]1CCCN1C)C(C)C ZINC000767347573 585516979 /nfs/dbraw/zinc/51/69/79/585516979.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 1 1 210.365 2.367 20 30 BEEDMO C=CC[N@H+](CC[C@H]1CCCN1C)C(C)C ZINC000767347573 585516980 /nfs/dbraw/zinc/51/69/80/585516980.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 1 1 210.365 2.367 20 30 BEEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000767347573 585516981 /nfs/dbraw/zinc/51/69/81/585516981.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 1 1 210.365 2.367 20 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C=CC[N@@H+](Cc1ccc(CO)o1)C(C)C ZINC000768548078 585540439 /nfs/dbraw/zinc/54/04/39/585540439.db2.gz VYLCARGULAPHAX-UHFFFAOYSA-N 1 1 209.289 2.168 20 30 BEEDMO CCCCCCC[N@@H+](CCO)C1CCOCC1 ZINC000768840726 585544568 /nfs/dbraw/zinc/54/45/68/585544568.db2.gz DPAHMFFRKGSFKP-UHFFFAOYSA-N 1 1 243.391 2.430 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(C)c1 ZINC000769106589 585548944 /nfs/dbraw/zinc/54/89/44/585548944.db2.gz RLCFGOGRBIQYEJ-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000769798577 585563877 /nfs/dbraw/zinc/56/38/77/585563877.db2.gz BOVVXQUSQYKCIU-GXTWGEPZSA-N 1 1 236.359 2.021 20 30 BEEDMO Cc1cccc(F)c1N=NC1C[N@H+](C)C[C@@H]1C ZINC000769840142 585564965 /nfs/dbraw/zinc/56/49/65/585564965.db2.gz IDFSWINOUIETHL-JTQLQIEISA-N 1 1 235.306 2.484 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCOc1ccc(OCC)cc1 ZINC000769962170 585567503 /nfs/dbraw/zinc/56/75/03/585567503.db2.gz ZDNLBQDLGCOJNN-ZDUSSCGKSA-N 1 1 247.338 2.418 20 30 BEEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)n1)C(C)C ZINC000773731792 585642990 /nfs/dbraw/zinc/64/29/90/585642990.db2.gz XARBGFRVEZWVSW-UHFFFAOYSA-N 1 1 248.326 2.265 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@]1(CCC)COC ZINC000773963180 585647481 /nfs/dbraw/zinc/64/74/81/585647481.db2.gz JXIZQTFMBRAMSU-ZDUSSCGKSA-N 1 1 209.333 2.291 20 30 BEEDMO C=C(C)[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000774388990 585657206 /nfs/dbraw/zinc/65/72/06/585657206.db2.gz BNPWGSIISKOIKT-RYUDHWBXSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(C)[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000774388990 585657207 /nfs/dbraw/zinc/65/72/07/585657207.db2.gz BNPWGSIISKOIKT-RYUDHWBXSA-N 1 1 225.332 2.369 20 30 BEEDMO CCC(CC)CNN=C1CCC[N@@H+](C)CC1 ZINC000774472704 585660049 /nfs/dbraw/zinc/66/00/49/585660049.db2.gz NVVLULRSQIIURP-UHFFFAOYSA-N 1 1 225.380 2.484 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C#N)c(C)c1 ZINC000774904117 585669181 /nfs/dbraw/zinc/66/91/81/585669181.db2.gz CAHZMFCGBMCLGX-UHFFFAOYSA-N 1 1 236.318 2.325 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc(C#N)c(C)c1 ZINC000774904117 585669182 /nfs/dbraw/zinc/66/91/82/585669182.db2.gz CAHZMFCGBMCLGX-UHFFFAOYSA-N 1 1 236.318 2.325 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178458 585672848 /nfs/dbraw/zinc/67/28/48/585672848.db2.gz KCTBWRQOIUXARS-NSHDSACASA-N 1 1 234.318 2.345 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000775183059 585672953 /nfs/dbraw/zinc/67/29/53/585672953.db2.gz HIOJLUYCCALYTA-LBPRGKRZSA-N 1 1 216.328 2.206 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178456 585673023 /nfs/dbraw/zinc/67/30/23/585673023.db2.gz KCTBWRQOIUXARS-LLVKDONJSA-N 1 1 234.318 2.345 20 30 BEEDMO COCC#CCO[NH+]=C(N)C1CCCCCC1 ZINC000775682891 585682975 /nfs/dbraw/zinc/68/29/75/585682975.db2.gz MVJRSVXWUOGWGY-UHFFFAOYSA-N 1 1 238.331 2.105 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC[C@H](C)C1 ZINC000776518301 585699702 /nfs/dbraw/zinc/69/97/02/585699702.db2.gz UDGJFRHBXBGELK-BFHYXJOUSA-N 1 1 249.354 2.063 20 30 BEEDMO C[C@@H]1CC(=NOC2CCCCC2)C[N@H+]1C ZINC000777458955 585712908 /nfs/dbraw/zinc/71/29/08/585712908.db2.gz MICQGLWPLXTTAX-SNVBAGLBSA-N 1 1 210.321 2.416 20 30 BEEDMO C[C@@H]1CC(=NOCCC(F)(F)F)CC[N@H+]1C ZINC000777457896 585713069 /nfs/dbraw/zinc/71/30/69/585713069.db2.gz BHBOINCHLZRWAA-MRVPVSSYSA-N 1 1 238.253 2.426 20 30 BEEDMO C#CCCC[N@H+](C)CC1(O)CCCCCC1 ZINC000778286911 585730605 /nfs/dbraw/zinc/73/06/05/585730605.db2.gz VWDUTBZJYNNBMI-UHFFFAOYSA-N 1 1 223.360 2.417 20 30 BEEDMO C#C[C@H](CC)OC(=O)C[N@@H+](C)CCCCCC ZINC000778725728 585739901 /nfs/dbraw/zinc/73/99/01/585739901.db2.gz JVOZTPRJOWRGND-CYBMUJFWSA-N 1 1 239.359 2.454 20 30 BEEDMO C#C[C@H](CC)OC(=O)C[N@H+](C)CCCCCC ZINC000778725728 585739902 /nfs/dbraw/zinc/73/99/02/585739902.db2.gz JVOZTPRJOWRGND-CYBMUJFWSA-N 1 1 239.359 2.454 20 30 BEEDMO C=C1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000779157443 585746353 /nfs/dbraw/zinc/74/63/53/585746353.db2.gz GPJWRPWZHQQWMA-UHFFFAOYSA-N 1 1 206.264 2.373 20 30 BEEDMO c1ccc2c(c1)CCC2=NNc1cc[nH+]cc1 ZINC000779808134 585765150 /nfs/dbraw/zinc/76/51/50/585765150.db2.gz CURWXZSHJSVKST-UHFFFAOYSA-N 1 1 223.279 2.266 20 30 BEEDMO Fc1ccc2c(c1)CCC2=NNc1cc[nH+]cc1 ZINC000779811255 585766321 /nfs/dbraw/zinc/76/63/21/585766321.db2.gz NQZDYPGAOJPHSV-UHFFFAOYSA-N 1 1 241.269 2.405 20 30 BEEDMO Cc1cc(C=NNc2cc[nH+]cc2)cnc1Cl ZINC000779812215 585766396 /nfs/dbraw/zinc/76/63/96/585766396.db2.gz PFDHAHWWURJSFI-UHFFFAOYSA-N 1 1 246.701 2.306 20 30 BEEDMO CC1(C)CCC[C@@H]1NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000782289977 585814127 /nfs/dbraw/zinc/81/41/27/585814127.db2.gz YMHFBHICDMJQPI-STQMWFEESA-N 1 1 235.375 2.379 20 30 BEEDMO CCCCCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782611831 585822335 /nfs/dbraw/zinc/82/23/35/585822335.db2.gz FJDUMDYRDFEGNF-OLZOCXBDSA-N 1 1 211.349 2.271 20 30 BEEDMO CC[C@@H]1CCC[C@H](C=NN2CC[NH+](C)CC2)C1 ZINC000783774385 585842929 /nfs/dbraw/zinc/84/29/29/585842929.db2.gz UZLZWGORWSJPSR-KGLIPLIRSA-N 1 1 237.391 2.436 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCCCO)C1 ZINC000784452032 585860219 /nfs/dbraw/zinc/86/02/19/585860219.db2.gz ZHFFABUCOKLVOU-ZDUSSCGKSA-N 1 1 224.348 2.165 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](C[Si](C)(C)C)C1 ZINC000784456207 585860526 /nfs/dbraw/zinc/86/05/26/585860526.db2.gz ZPIRMOCXIIWSHH-NSHDSACASA-N 1 1 210.397 2.489 20 30 BEEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000784455485 585860620 /nfs/dbraw/zinc/86/06/20/585860620.db2.gz VFBXYKDYFQRLGN-GJZGRUSLSA-N 1 1 244.338 2.346 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000784455485 585860621 /nfs/dbraw/zinc/86/06/21/585860621.db2.gz VFBXYKDYFQRLGN-GJZGRUSLSA-N 1 1 244.338 2.346 20 30 BEEDMO C=CC[N@H+](Cc1cccnc1OC)C(C)C ZINC000785657384 585877431 /nfs/dbraw/zinc/87/74/31/585877431.db2.gz FWQFFLWCBTXBET-UHFFFAOYSA-N 1 1 220.316 2.487 20 30 BEEDMO C=CCC[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000786102826 585887266 /nfs/dbraw/zinc/88/72/66/585887266.db2.gz WLQJSXBUSVCULC-ZDUSSCGKSA-N 1 1 238.375 2.346 20 30 BEEDMO CCOCc1cc(C[NH2+]CCC#N)ccc1OC ZINC000787298519 585906021 /nfs/dbraw/zinc/90/60/21/585906021.db2.gz KDNSOJMTOZDMJC-UHFFFAOYSA-N 1 1 248.326 2.235 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1 ZINC000787781097 585915925 /nfs/dbraw/zinc/91/59/25/585915925.db2.gz PPJYUCHSDHMXBS-OAHLLOKOSA-N 1 1 229.323 2.015 20 30 BEEDMO Cc1cc(C=NNc2cc[nH+]cc2)cc(Cl)n1 ZINC000788725041 585929580 /nfs/dbraw/zinc/92/95/80/585929580.db2.gz HHIXTQBFRRWLIX-UHFFFAOYSA-N 1 1 246.701 2.306 20 30 BEEDMO C#CCC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000789498027 585943626 /nfs/dbraw/zinc/94/36/26/585943626.db2.gz WFSKJOYYGXVRPX-CYBMUJFWSA-N 1 1 246.329 2.360 20 30 BEEDMO C#CCCCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000789800403 585950175 /nfs/dbraw/zinc/95/01/75/585950175.db2.gz GAFUJIJQQCCOGL-CQSZACIVSA-N 1 1 249.354 2.350 20 30 BEEDMO CC[C@@H](C)NN=C1C[N@H+](C(C)C)C[C@H]1C ZINC000790187510 585960415 /nfs/dbraw/zinc/96/04/15/585960415.db2.gz BZSURMXMKOTCAH-GHMZBOCLSA-N 1 1 211.353 2.091 20 30 BEEDMO Cc1cccnc1N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000790192889 585960979 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C#CC[C@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000829784963 587516155 /nfs/dbraw/zinc/51/61/55/587516155.db2.gz OIVIGAWYFCLZBK-HNNXBMFYSA-N 1 1 234.387 2.208 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000829785149 587516463 /nfs/dbraw/zinc/51/64/63/587516463.db2.gz RGXNKEKEYKHSQW-AWEZNQCLSA-N 1 1 223.360 2.274 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnc(OC)c2)C1 ZINC000829805209 587517735 /nfs/dbraw/zinc/51/77/35/587517735.db2.gz RCVQXLRGEVMSID-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnc(OC)c2)C1 ZINC000829805210 587517952 /nfs/dbraw/zinc/51/79/52/587517952.db2.gz RCVQXLRGEVMSID-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000829815470 587519307 /nfs/dbraw/zinc/51/93/07/587519307.db2.gz MKFNQKWYIIYDCX-OCCSQVGLSA-N 1 1 221.344 2.147 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000829815494 587519858 /nfs/dbraw/zinc/51/98/58/587519858.db2.gz MSUYXKVAXNKUPD-CYBMUJFWSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000829815494 587519859 /nfs/dbraw/zinc/51/98/59/587519859.db2.gz MSUYXKVAXNKUPD-CYBMUJFWSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000830321429 587545954 /nfs/dbraw/zinc/54/59/54/587545954.db2.gz LFGLKJLIYLNBFP-JTQLQIEISA-N 1 1 245.326 2.353 20 30 BEEDMO C#CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000830345724 587546687 /nfs/dbraw/zinc/54/66/87/587546687.db2.gz PMXRFZWCKQSBLD-UHFFFAOYSA-N 1 1 234.387 2.208 20 30 BEEDMO C#CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000830345724 587546689 /nfs/dbraw/zinc/54/66/89/587546689.db2.gz PMXRFZWCKQSBLD-UHFFFAOYSA-N 1 1 234.387 2.208 20 30 BEEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000830467991 587552554 /nfs/dbraw/zinc/55/25/54/587552554.db2.gz ZHJHCDYPSXFSBS-GFCCVEGCSA-N 1 1 234.274 2.133 20 30 BEEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000830467991 587552555 /nfs/dbraw/zinc/55/25/55/587552555.db2.gz ZHJHCDYPSXFSBS-GFCCVEGCSA-N 1 1 234.274 2.133 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831527564 587616768 /nfs/dbraw/zinc/61/67/68/587616768.db2.gz GQYQGVBRCVRVGL-PSASIEDQSA-N 1 1 203.713 2.096 20 30 BEEDMO C#CCCC[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000832209596 587650483 /nfs/dbraw/zinc/65/04/83/587650483.db2.gz LRWONRZSSDMHNL-STQMWFEESA-N 1 1 221.344 2.289 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000832209593 587650542 /nfs/dbraw/zinc/65/05/42/587650542.db2.gz LRWONRZSSDMHNL-CHWSQXEVSA-N 1 1 221.344 2.289 20 30 BEEDMO C=CCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379938 587656678 /nfs/dbraw/zinc/65/66/78/587656678.db2.gz XOGIBLBPYKBTRR-UHFFFAOYSA-N 1 1 240.372 2.378 20 30 BEEDMO C=CCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379938 587656680 /nfs/dbraw/zinc/65/66/80/587656680.db2.gz XOGIBLBPYKBTRR-UHFFFAOYSA-N 1 1 240.372 2.378 20 30 BEEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000832721141 587677782 /nfs/dbraw/zinc/67/77/82/587677782.db2.gz AMTBTORFRLUXCW-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000832718228 587678929 /nfs/dbraw/zinc/67/89/29/587678929.db2.gz CTEPGOVAGKUWQP-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C=C(Cl)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000832768898 587687481 /nfs/dbraw/zinc/68/74/81/587687481.db2.gz OVHGFTDIESVRES-VHSXEESVSA-N 1 1 215.724 2.096 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000832768898 587687482 /nfs/dbraw/zinc/68/74/82/587687482.db2.gz OVHGFTDIESVRES-VHSXEESVSA-N 1 1 215.724 2.096 20 30 BEEDMO C=C(Cl)CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000832778634 587688913 /nfs/dbraw/zinc/68/89/13/587688913.db2.gz MXOXEMGCEHMPJW-NSHDSACASA-N 1 1 216.756 2.153 20 30 BEEDMO Fc1ccccc1CNN=C1CC[N@H+]2CCC[C@@H]12 ZINC000835011472 587777764 /nfs/dbraw/zinc/77/77/64/587777764.db2.gz MUQBJBKORAXQNV-AWEZNQCLSA-N 1 1 247.317 2.139 20 30 BEEDMO CN(C)c1ccc(/C=C/C[NH2+]CCC#N)cc1 ZINC000835051043 587779761 /nfs/dbraw/zinc/77/97/61/587779761.db2.gz ALEZMFJHKPBYTD-HWKANZROSA-N 1 1 229.327 2.269 20 30 BEEDMO CC(C)=CCC[C@H](C)CCN=NC1=[NH+]CCN1 ZINC000841661584 587970227 /nfs/dbraw/zinc/97/02/27/587970227.db2.gz MMUFDPNCALTDRW-LBPRGKRZSA-N 1 1 236.363 2.294 20 30 BEEDMO COc1cccc(O)c1C[NH2+]CC1(C#N)CCC1 ZINC000841899859 587982731 /nfs/dbraw/zinc/98/27/31/587982731.db2.gz YFCBCDWTUGMLRU-UHFFFAOYSA-N 1 1 246.310 2.184 20 30 BEEDMO N#CC1(CO[NH+]=C(N)C2CCCC2)CCC1 ZINC000842021210 587989672 /nfs/dbraw/zinc/98/96/72/587989672.db2.gz LFDKNFAXEWCGOB-UHFFFAOYSA-N 1 1 221.304 2.369 20 30 BEEDMO C=CCCCCO[NH+]=C(N)C1CCOCC1 ZINC000842029364 587990498 /nfs/dbraw/zinc/99/04/98/587990498.db2.gz CWNHDLCUXXMUNR-UHFFFAOYSA-N 1 1 226.320 2.268 20 30 BEEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153837 588004178 /nfs/dbraw/zinc/00/41/78/588004178.db2.gz QKMALISVROCRFB-CQSZACIVSA-N 1 1 230.311 2.100 20 30 BEEDMO C=CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157743 588004706 /nfs/dbraw/zinc/00/47/06/588004706.db2.gz USMGIDOFQIARBL-CQSZACIVSA-N 1 1 230.311 2.100 20 30 BEEDMO CCCON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000842565533 588042506 /nfs/dbraw/zinc/04/25/06/588042506.db2.gz IRODLKZFZNNLHU-UHFFFAOYSA-N 1 1 247.342 2.460 20 30 BEEDMO N#CCC[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000843074288 588079681 /nfs/dbraw/zinc/07/96/81/588079681.db2.gz CXFIXSUIICNIFK-LLVKDONJSA-N 1 1 246.335 2.438 20 30 BEEDMO C=CCCc1noc([C@@H](C)[NH2+]C2CC2)n1 ZINC000843238247 588095660 /nfs/dbraw/zinc/09/56/60/588095660.db2.gz LWJXRHMRKDOVSF-MRVPVSSYSA-N 1 1 207.277 2.001 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2conc2C)C1 ZINC000843422010 588107484 /nfs/dbraw/zinc/10/74/84/588107484.db2.gz BCDPGWZCAUBVTN-GFCCVEGCSA-N 1 1 218.300 2.218 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cncn2CC)C1 ZINC000843423358 588107640 /nfs/dbraw/zinc/10/76/40/588107640.db2.gz MQBGZHHJTCGBJK-ZDUSSCGKSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000843423687 588107871 /nfs/dbraw/zinc/10/78/71/588107871.db2.gz IDYOBQIEIIGFLD-ZDUSSCGKSA-N 1 1 231.343 2.262 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2snnc2C)C1 ZINC000844346097 588186436 /nfs/dbraw/zinc/18/64/36/588186436.db2.gz HRDNNYKCZIUDHY-LLVKDONJSA-N 1 1 235.356 2.082 20 30 BEEDMO C=C(CC)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371925 588187185 /nfs/dbraw/zinc/18/71/85/588187185.db2.gz SLVQIXMOTWVDBR-OAHLLOKOSA-N 1 1 244.338 2.490 20 30 BEEDMO C=C(C)CON=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000844618993 588208988 /nfs/dbraw/zinc/20/89/88/588208988.db2.gz QUDNIYSJZOALKG-JTQLQIEISA-N 1 1 208.305 2.192 20 30 BEEDMO C=C(C)CO[NH+]=C1CCCc2nc(N)ccc21 ZINC000844619484 588209185 /nfs/dbraw/zinc/20/91/85/588209185.db2.gz FXXKFTWKKXJUOF-UHFFFAOYSA-N 1 1 231.299 2.297 20 30 BEEDMO C=C[C@@H](C)ON=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000844621947 588209710 /nfs/dbraw/zinc/20/97/10/588209710.db2.gz QGLQAXXMMZSWKI-VHSXEESVSA-N 1 1 208.305 2.190 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc(F)nc2)CCCC1 ZINC000846010726 588253484 /nfs/dbraw/zinc/25/34/84/588253484.db2.gz NPXQUMNYXXZZLJ-UHFFFAOYSA-N 1 1 233.290 2.394 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc2nsnc21 ZINC000846990576 588300759 /nfs/dbraw/zinc/30/07/59/588300759.db2.gz DNYCQGJDPHZIHC-JTQLQIEISA-N 1 1 246.339 2.473 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2CC(OCC)C2)C1 ZINC000847019933 588301701 /nfs/dbraw/zinc/30/17/01/588301701.db2.gz SWWPTHJDAHIZIU-IYXRBSQSSA-N 1 1 221.344 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000847019114 588301867 /nfs/dbraw/zinc/30/18/67/588301867.db2.gz OUXQYLCOSLQRJE-DZGCQCFKSA-N 1 1 235.371 2.273 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CCc2cscn2)C1 ZINC000847019026 588302001 /nfs/dbraw/zinc/30/20/01/588302001.db2.gz NPLPVHXGSMNVAS-NSHDSACASA-N 1 1 220.341 2.031 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000847022058 588302490 /nfs/dbraw/zinc/30/24/90/588302490.db2.gz FEIKXSBQQZSWPV-GDBMZVCRSA-N 1 1 243.350 2.239 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C)s2)C1 ZINC000847022036 588302822 /nfs/dbraw/zinc/30/28/22/588302822.db2.gz RLFQYFHWGNBEMC-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000847022060 588303034 /nfs/dbraw/zinc/30/30/34/588303034.db2.gz FEIKXSBQQZSWPV-HOCLYGCPSA-N 1 1 243.350 2.239 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](CC(C)C)OC)C1 ZINC000847036591 588304638 /nfs/dbraw/zinc/30/46/38/588304638.db2.gz PGTJLYBFJWPQPP-KGLIPLIRSA-N 1 1 223.360 2.393 20 30 BEEDMO C=C(C)C(C)(C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847817610 588333130 /nfs/dbraw/zinc/33/31/30/588333130.db2.gz KULLWHDJIWCXQX-GFCCVEGCSA-N 1 1 239.359 2.474 20 30 BEEDMO Nc1c(F)cccc1C=[NH+]OC1CCC1 ZINC000848410629 588375221 /nfs/dbraw/zinc/37/52/21/588375221.db2.gz RLKFBHPMHHCZBK-UHFFFAOYSA-N 1 1 208.236 2.311 20 30 BEEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000848521120 588391120 /nfs/dbraw/zinc/39/11/20/588391120.db2.gz SIXCZWOZJMHQPS-JOYOIKCWSA-N 1 1 229.283 2.213 20 30 BEEDMO C#C[C@H]1CCCN(c2cc(C)cc[nH+]2)C1 ZINC000848751107 588411687 /nfs/dbraw/zinc/41/16/87/588411687.db2.gz WLWKJTUWAVGUGK-LBPRGKRZSA-N 1 1 200.285 2.240 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccoc2C)C1 ZINC000848923420 588421324 /nfs/dbraw/zinc/42/13/24/588421324.db2.gz DNZAGRVPCYDTSF-LBPRGKRZSA-N 1 1 203.285 2.433 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cncn2C(C)C)C1 ZINC000848923405 588421422 /nfs/dbraw/zinc/42/14/22/588421422.db2.gz DJFYXBQWZFSAOK-CYBMUJFWSA-N 1 1 231.343 2.309 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000851720453 588616978 /nfs/dbraw/zinc/61/69/78/588616978.db2.gz KKLQVLCKGDRSOD-NSHDSACASA-N 1 1 213.321 2.036 20 30 BEEDMO C#CCOCC[N@H+](CCC(C)C)C1CC1 ZINC000851727337 588618628 /nfs/dbraw/zinc/61/86/28/588618628.db2.gz KSUCFYNMTHSUPO-UHFFFAOYSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@H+](CCC(OC)OC)C1CCCCC1 ZINC000851737368 588620580 /nfs/dbraw/zinc/62/05/80/588620580.db2.gz AREPVPDJCBFQFP-UHFFFAOYSA-N 1 1 239.359 2.263 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000851745918 588622020 /nfs/dbraw/zinc/62/20/20/588622020.db2.gz ODORKEYILHANRZ-HNNXBMFYSA-N 1 1 243.350 2.434 20 30 BEEDMO C#CCOCC[N@H+]1CCc2ccccc2[C@H]1C ZINC000851762558 588624519 /nfs/dbraw/zinc/62/45/19/588624519.db2.gz SOMVYNJSGMKIRE-CYBMUJFWSA-N 1 1 229.323 2.256 20 30 BEEDMO CC(C)C[N@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000851779382 588626969 /nfs/dbraw/zinc/62/69/69/588626969.db2.gz SZDNCVDCPNTDEK-GFCCVEGCSA-N 1 1 240.347 2.010 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1COC(C)(C)O1 ZINC000851779382 588626970 /nfs/dbraw/zinc/62/69/70/588626970.db2.gz SZDNCVDCPNTDEK-GFCCVEGCSA-N 1 1 240.347 2.010 20 30 BEEDMO C=CCCC[N@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851780503 588627353 /nfs/dbraw/zinc/62/73/53/588627353.db2.gz TYCHPHXBIOKXJD-LLVKDONJSA-N 1 1 213.321 2.036 20 30 BEEDMO C#CCOCC[N@@H+]1CCCCC[C@H]1CC ZINC000851781045 588627513 /nfs/dbraw/zinc/62/75/13/588627513.db2.gz MWXGSWBJGOWURD-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C#CCOCC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000851786378 588628847 /nfs/dbraw/zinc/62/88/47/588628847.db2.gz ZQJRKMCYTOWUCK-MGPQQGTHSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CCOCC[N@H+](CCC)Cc1ccccc1O ZINC000851791731 588629098 /nfs/dbraw/zinc/62/90/98/588629098.db2.gz GSGLTPVHKDSFNK-UHFFFAOYSA-N 1 1 247.338 2.254 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000851790938 588629229 /nfs/dbraw/zinc/62/92/29/588629229.db2.gz RYRNNUNQQRPXJT-CYBMUJFWSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000851799686 588630272 /nfs/dbraw/zinc/63/02/72/588630272.db2.gz DJAGBKUMURHPOK-AWEZNQCLSA-N 1 1 233.286 2.222 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H](CCC)C1 ZINC000851807198 588631671 /nfs/dbraw/zinc/63/16/71/588631671.db2.gz BJLYLXSEUFBWSV-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO C=C(C)C[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851910477 588642956 /nfs/dbraw/zinc/64/29/56/588642956.db2.gz POJCKXKJYBKGJW-NSHDSACASA-N 1 1 213.321 2.036 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000851913512 588643293 /nfs/dbraw/zinc/64/32/93/588643293.db2.gz YGDDVDFKIOOHAW-WDEREUQCSA-N 1 1 249.276 2.299 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000851925510 588644517 /nfs/dbraw/zinc/64/45/17/588644517.db2.gz XBGFBEGVCDNTNC-MRXNPFEDSA-N 1 1 243.350 2.434 20 30 BEEDMO C#CC[N@@H+](CCOCc1ccccc1)C1CC1 ZINC000851938685 588646400 /nfs/dbraw/zinc/64/64/00/588646400.db2.gz WJPWXTSMCONRBS-UHFFFAOYSA-N 1 1 229.323 2.301 20 30 BEEDMO C#CCOCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000851952394 588647674 /nfs/dbraw/zinc/64/76/74/588647674.db2.gz WVMQHXQFVGIIIE-UHFFFAOYSA-N 1 1 241.334 2.184 20 30 BEEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(C)s1 ZINC000852100471 588662747 /nfs/dbraw/zinc/66/27/47/588662747.db2.gz HBSIYVJZXUCUKC-LDYMZIIASA-N 1 1 223.345 2.299 20 30 BEEDMO C#C[C@@](C)(CC)NCCC[NH2+][C@](C)(C#C)CC ZINC000852100184 588662773 /nfs/dbraw/zinc/66/27/73/588662773.db2.gz FTITXFFWACRQSY-GASCZTMLSA-N 1 1 234.387 2.160 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]CCCN[C@](C)(C#C)CC ZINC000852100184 588662774 /nfs/dbraw/zinc/66/27/74/588662774.db2.gz FTITXFFWACRQSY-GASCZTMLSA-N 1 1 234.387 2.160 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000852206327 588671405 /nfs/dbraw/zinc/67/14/05/588671405.db2.gz HCLOZVQOLNYRBB-RYUDHWBXSA-N 1 1 243.297 2.146 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000852206579 588672021 /nfs/dbraw/zinc/67/20/21/588672021.db2.gz MSUCMDFSMIGINR-GFCCVEGCSA-N 1 1 218.300 2.218 20 30 BEEDMO C#CCOCC[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000852212812 588672458 /nfs/dbraw/zinc/67/24/58/588672458.db2.gz DUPFLYIFIFVATM-AWEZNQCLSA-N 1 1 243.350 2.298 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC000852217065 588673881 /nfs/dbraw/zinc/67/38/81/588673881.db2.gz SZVHMOQYFBKZEV-OCCSQVGLSA-N 1 1 221.344 2.147 20 30 BEEDMO C=CC[N@H+](CC(=C)Cl)[C@@H](C)COC ZINC000852357053 588679502 /nfs/dbraw/zinc/67/95/02/588679502.db2.gz WLARNIGSCSKRIS-JTQLQIEISA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](CC(=C)Cl)[C@@H](C)COC ZINC000852357053 588679503 /nfs/dbraw/zinc/67/95/03/588679503.db2.gz WLARNIGSCSKRIS-JTQLQIEISA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](C[C@@H](O)c1ccccc1)[C@@H](C)COC ZINC000852357232 588680106 /nfs/dbraw/zinc/68/01/06/588680106.db2.gz YIOUQDXVNVVCIK-DZGCQCFKSA-N 1 1 249.354 2.243 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)C2CC2)C1 ZINC000852410092 588680627 /nfs/dbraw/zinc/68/06/27/588680627.db2.gz HRQQVVZWVSFCGL-WCQYABFASA-N 1 1 209.333 2.045 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000852410241 588681480 /nfs/dbraw/zinc/68/14/80/588681480.db2.gz KIJSKTYWHHKFQS-OLZOCXBDSA-N 1 1 222.332 2.203 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)C(C)(C)C ZINC000852554194 588689607 /nfs/dbraw/zinc/68/96/07/588689607.db2.gz FZFJCPAIHGHCRL-NSHDSACASA-N 1 1 237.343 2.369 20 30 BEEDMO C=CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)C(C)(C)C ZINC000852554193 588689686 /nfs/dbraw/zinc/68/96/86/588689686.db2.gz FZFJCPAIHGHCRL-LLVKDONJSA-N 1 1 237.343 2.369 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccc(C)n1 ZINC000852685987 588695879 /nfs/dbraw/zinc/69/58/79/588695879.db2.gz NPJBXJWHMYIOMG-BETUJISGSA-N 1 1 229.327 2.468 20 30 BEEDMO Cc1ccc([C@@H](O)C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000852684783 588695929 /nfs/dbraw/zinc/69/59/29/588695929.db2.gz OCDSDHKQEJVZEL-LSDHHAIUSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccc([C@@H](O)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000852684783 588695930 /nfs/dbraw/zinc/69/59/30/588695930.db2.gz OCDSDHKQEJVZEL-LSDHHAIUSA-N 1 1 244.338 2.264 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1COC(C)(C)O1 ZINC000852687267 588696223 /nfs/dbraw/zinc/69/62/23/588696223.db2.gz IAMOSZPLWVPOEB-XQQFMLRXSA-N 1 1 237.343 2.321 20 30 BEEDMO C=C(Cl)CNC(C)(C)C[N@H+](C)CCC ZINC000852715428 588697698 /nfs/dbraw/zinc/69/76/98/588697698.db2.gz MSEZMBBHBHVBMD-UHFFFAOYSA-N 1 1 218.772 2.449 20 30 BEEDMO C#CCCCN1CC[N@H+](CCCC#C)[C@H](C)[C@H]1C ZINC000852739943 588698572 /nfs/dbraw/zinc/69/85/72/588698572.db2.gz JXWKJPDXOJCIJQ-HZPDHXFCSA-N 1 1 246.398 2.208 20 30 BEEDMO C#CCC[N@@H+](CCOC)CCSC(C)C ZINC000852748825 588699647 /nfs/dbraw/zinc/69/96/47/588699647.db2.gz HPSQNAQKVWOYIO-UHFFFAOYSA-N 1 1 229.389 2.100 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000852750419 588700255 /nfs/dbraw/zinc/70/02/55/588700255.db2.gz UXPIXUTXYJXCNZ-BTTYYORXSA-N 1 1 221.344 2.004 20 30 BEEDMO C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CC1(C)C ZINC000852774742 588702007 /nfs/dbraw/zinc/70/20/07/588702007.db2.gz YHEDPAOXIORPPH-VXGBXAGGSA-N 1 1 219.332 2.408 20 30 BEEDMO Cc1c[nH+]cn1CC(=O)O[C@H](C)CC(C)(C)C#N ZINC000860870870 589125377 /nfs/dbraw/zinc/12/53/77/589125377.db2.gz VZJZQRYWZSXTGF-LLVKDONJSA-N 1 1 249.314 2.063 20 30 BEEDMO C=CC[N@H+](Cc1nc(C)c(C)[nH]1)C(C)C ZINC000862225106 589195594 /nfs/dbraw/zinc/19/55/94/589195594.db2.gz XLKPJDCLOSEOMH-UHFFFAOYSA-N 1 1 207.321 2.423 20 30 BEEDMO C=CC[N@@H+](Cc1nc(C)c(C)[nH]1)C(C)C ZINC000862225106 589195595 /nfs/dbraw/zinc/19/55/95/589195595.db2.gz XLKPJDCLOSEOMH-UHFFFAOYSA-N 1 1 207.321 2.423 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccnc(F)c1C ZINC000862295636 589200554 /nfs/dbraw/zinc/20/05/54/589200554.db2.gz OZUJFDMGPKKRQQ-UHFFFAOYSA-N 1 1 214.671 2.371 20 30 BEEDMO CCCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000862356251 589202758 /nfs/dbraw/zinc/20/27/58/589202758.db2.gz UOYLQUUTPPLYBP-CYBMUJFWSA-N 1 1 240.391 2.415 20 30 BEEDMO CCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000862356162 589202762 /nfs/dbraw/zinc/20/27/62/589202762.db2.gz WWXSUMFLIHSQQF-CHWSQXEVSA-N 1 1 240.391 2.413 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccnc(F)c2)CCC1 ZINC000862395786 589208828 /nfs/dbraw/zinc/20/88/28/589208828.db2.gz ANWJBKXSFTUHLZ-UHFFFAOYSA-N 1 1 219.263 2.004 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000862403388 589209287 /nfs/dbraw/zinc/20/92/87/589209287.db2.gz ZNBYAORJXRLBTK-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC000862443007 589213264 /nfs/dbraw/zinc/21/32/64/589213264.db2.gz KIXFSQQSTPFCFE-LBPRGKRZSA-N 1 1 218.300 2.137 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000862442992 589213285 /nfs/dbraw/zinc/21/32/85/589213285.db2.gz KDHOFLPDRCJRHE-NSHDSACASA-N 1 1 249.383 2.054 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000862442301 589213452 /nfs/dbraw/zinc/21/34/52/589213452.db2.gz BKJNITZHCAJZBK-GFCCVEGCSA-N 1 1 243.306 2.261 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000862442309 589213601 /nfs/dbraw/zinc/21/36/01/589213601.db2.gz BOZIFUSWIVLWEM-GFCCVEGCSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000862443502 589213732 /nfs/dbraw/zinc/21/37/32/589213732.db2.gz PZLWCWIEDBJAQG-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1 ZINC000862443818 589213810 /nfs/dbraw/zinc/21/38/10/589213810.db2.gz UWCFGBPZBUGMIQ-LBPRGKRZSA-N 1 1 215.296 2.237 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000862445662 589214750 /nfs/dbraw/zinc/21/47/50/589214750.db2.gz ZCIKSFCWVSHIQZ-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000862445662 589214752 /nfs/dbraw/zinc/21/47/52/589214752.db2.gz ZCIKSFCWVSHIQZ-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000862445662 589214753 /nfs/dbraw/zinc/21/47/53/589214753.db2.gz ZCIKSFCWVSHIQZ-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#Cc1ccc(C[N@H+](C)CC2(C)COC2)cc1 ZINC000862479675 589217102 /nfs/dbraw/zinc/21/71/02/589217102.db2.gz XHRZOYCSZVTVTO-UHFFFAOYSA-N 1 1 229.323 2.136 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000862531085 589218450 /nfs/dbraw/zinc/21/84/50/589218450.db2.gz WNCWFRZQTDNKKL-HNNXBMFYSA-N 1 1 247.313 2.228 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000862531085 589218451 /nfs/dbraw/zinc/21/84/51/589218451.db2.gz WNCWFRZQTDNKKL-HNNXBMFYSA-N 1 1 247.313 2.228 20 30 BEEDMO CCO[C@@H]1CC(=[NH+]n2cccn2)C12CCCC2 ZINC000863165899 589267024 /nfs/dbraw/zinc/26/70/24/589267024.db2.gz PQLDUQXECLSKCJ-GFCCVEGCSA-N 1 1 233.315 2.456 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccnn1C ZINC000865838615 589464462 /nfs/dbraw/zinc/46/44/62/589464462.db2.gz LBVGHXAXSPKSFQ-LLVKDONJSA-N 1 1 240.310 2.143 20 30 BEEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)cc3)CC[C@H]21 ZINC000866208358 589480472 /nfs/dbraw/zinc/48/04/72/589480472.db2.gz UAPSZKYTPDNSNC-DZGCQCFKSA-N 1 1 241.338 2.089 20 30 BEEDMO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866391784 589489776 /nfs/dbraw/zinc/48/97/76/589489776.db2.gz PTCCKNVOXLYDLE-BHYNMZESSA-N 1 1 246.310 2.092 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000866584632 589502149 /nfs/dbraw/zinc/50/21/49/589502149.db2.gz PLWDITPOSJZKHO-LPWJVIDDSA-N 1 1 236.384 2.364 20 30 BEEDMO C=CCC[N@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866703549 589513752 /nfs/dbraw/zinc/51/37/52/589513752.db2.gz JSANTGQDHJTBDC-ZDUSSCGKSA-N 1 1 210.365 2.259 20 30 BEEDMO C=CCC[N@@H+]1CC[C@@](CN)(C(C)(C)C)C1 ZINC000866703549 589513754 /nfs/dbraw/zinc/51/37/54/589513754.db2.gz JSANTGQDHJTBDC-ZDUSSCGKSA-N 1 1 210.365 2.259 20 30 BEEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCC2)cc1F ZINC000871766099 589810184 /nfs/dbraw/zinc/81/01/84/589810184.db2.gz UHKHBEOYNVTBPG-UHFFFAOYSA-N 1 1 247.273 2.496 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2C[C@H]2C)no1 ZINC000872175447 589888689 /nfs/dbraw/zinc/88/86/89/589888689.db2.gz MIHRXNZNNPXWNP-DTLFHODZSA-N 1 1 227.695 2.335 20 30 BEEDMO CC#CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277881 589905258 /nfs/dbraw/zinc/90/52/58/589905258.db2.gz AGXMBBWYZXUXDR-AWEZNQCLSA-N 1 1 221.344 2.433 20 30 BEEDMO C=C(CC)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317927 589910885 /nfs/dbraw/zinc/91/08/85/589910885.db2.gz IQCGAMRECDMSCQ-UHFFFAOYSA-N 1 1 231.343 2.300 20 30 BEEDMO Cc1cccc(N=NC2CC[N@@H+](C)[C@@H]2C)c1 ZINC000872325568 589913043 /nfs/dbraw/zinc/91/30/43/589913043.db2.gz WYDOUDDVMSWNAI-LLVKDONJSA-N 1 1 217.316 2.487 20 30 BEEDMO C[C@H]1C(N=Nc2cccc(F)c2F)CC[N@H+]1C ZINC000872353524 589917212 /nfs/dbraw/zinc/91/72/12/589917212.db2.gz KKQBSPGDZOCMQT-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO COc1ccc(N=NC2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000872359522 589918629 /nfs/dbraw/zinc/91/86/29/589918629.db2.gz HRUOWYZVVGZRQY-SNVBAGLBSA-N 1 1 233.315 2.187 20 30 BEEDMO C[C@H]1C(=NOCCC(F)(F)F)CC[N@@H+]1C ZINC000872366279 589921437 /nfs/dbraw/zinc/92/14/37/589921437.db2.gz VBUZZGUMRCSATC-ZETCQYMHSA-N 1 1 224.226 2.035 20 30 BEEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](C)[C@H]1C ZINC000872371116 589923322 /nfs/dbraw/zinc/92/33/22/589923322.db2.gz JOXLHXOLVUSOLR-JTQLQIEISA-N 1 1 247.346 2.092 20 30 BEEDMO C[C@@H](NN=C1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC000872376315 589925679 /nfs/dbraw/zinc/92/56/79/589925679.db2.gz JDPMYRJCNXCKMB-NXEZZACHSA-N 1 1 211.353 2.091 20 30 BEEDMO C[C@@H](NN=C1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC000872376315 589925681 /nfs/dbraw/zinc/92/56/81/589925681.db2.gz JDPMYRJCNXCKMB-NXEZZACHSA-N 1 1 211.353 2.091 20 30 BEEDMO C[C@H]1C(N=Nc2ccnc(Cl)c2)CC[N@H+]1C ZINC000872388690 589931249 /nfs/dbraw/zinc/93/12/49/589931249.db2.gz VWXSXTYSQSWZSH-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO CC(=[NH+]N1CCC1)c1ccc(F)cc1N(C)C ZINC000872397630 589934320 /nfs/dbraw/zinc/93/43/20/589934320.db2.gz SVXREFGJOGROQH-UHFFFAOYSA-N 1 1 235.306 2.321 20 30 BEEDMO C=CCCCCC[N@H+](C)CCC1OCCO1 ZINC000124388786 589983482 /nfs/dbraw/zinc/98/34/82/589983482.db2.gz IVAALYUYDNUZHE-UHFFFAOYSA-N 1 1 227.348 2.428 20 30 BEEDMO C=CCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874839122 590144918 /nfs/dbraw/zinc/14/49/18/590144918.db2.gz TUPLLMMJFPDBGI-QWHCGFSZSA-N 1 1 236.359 2.038 20 30 BEEDMO C#CCCCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000876547627 590214065 /nfs/dbraw/zinc/21/40/65/590214065.db2.gz DFJFXSGGIVJWOU-UHFFFAOYSA-N 1 1 233.359 2.436 20 30 BEEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C1CC1 ZINC000876580325 590218535 /nfs/dbraw/zinc/21/85/35/590218535.db2.gz JEAOKENFLCGKQY-UHFFFAOYSA-N 1 1 229.327 2.218 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876636122 590224341 /nfs/dbraw/zinc/22/43/41/590224341.db2.gz CJROVMWCKWVACJ-LBPRGKRZSA-N 1 1 243.354 2.466 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccnn1CC1CCC1 ZINC000876638850 590225283 /nfs/dbraw/zinc/22/52/83/590225283.db2.gz HPORNVBCIRTAJA-UHFFFAOYSA-N 1 1 231.343 2.138 20 30 BEEDMO 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C#CC[N@@H+](Cc1cnc(F)c(C)c1)C(C)C ZINC000897170630 711784749 /nfs/dbraw/zinc/78/47/49/711784749.db2.gz DHGOTWYWIJVQMI-UHFFFAOYSA-N 1 1 220.291 2.373 20 30 BEEDMO CC(C)OCCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000703273905 711874408 /nfs/dbraw/zinc/87/44/08/711874408.db2.gz OIGKPAQXFLHOQJ-GFCCVEGCSA-N 1 1 210.321 2.037 20 30 BEEDMO CC(C)OCCC[N@H+]1CCC[C@H](C#N)C1 ZINC000703273905 711874409 /nfs/dbraw/zinc/87/44/09/711874409.db2.gz OIGKPAQXFLHOQJ-GFCCVEGCSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H]([N@H+](C)CCO[C@@H](C)C#N)C(C)(C)C ZINC000379818425 712611829 /nfs/dbraw/zinc/61/18/29/712611829.db2.gz ROEQBUNAQLXPPQ-WDEREUQCSA-N 1 1 212.337 2.281 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC000930591055 712713136 /nfs/dbraw/zinc/71/31/36/712713136.db2.gz ZZVPMPHZLNHZFJ-ZDUSSCGKSA-N 1 1 221.344 2.433 20 30 BEEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC1 ZINC001754299944 1166225765 /nfs/dbraw/zinc/22/57/65/1166225765.db2.gz ZSJRGHSNSVSUFI-NEPJUHHUSA-N 1 1 238.375 2.188 20 30 BEEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000724156593 710738340 /nfs/dbraw/zinc/73/83/40/710738340.db2.gz KSEQOMJLXKWAHA-UONOGXRCSA-N 1 1 230.311 2.167 20 30 BEEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001039318626 710725282 /nfs/dbraw/zinc/72/52/82/710725282.db2.gz RBYMYISNNAPLOU-KGLIPLIRSA-N 1 1 248.370 2.038 20 30 BEEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000724156591 710738042 /nfs/dbraw/zinc/73/80/42/710738042.db2.gz KSEQOMJLXKWAHA-KBPBESRZSA-N 1 1 230.311 2.167 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@@H]21 ZINC001042002698 710773077 /nfs/dbraw/zinc/77/30/77/710773077.db2.gz KSLWDPZOAIJGLC-YCYRZOEZSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001042466761 710785412 /nfs/dbraw/zinc/78/54/12/710785412.db2.gz RQTUZORHYVUEOR-ZDUSSCGKSA-N 1 1 248.370 2.061 20 30 BEEDMO C=C(C)CN[NH+]=C(C)c1cc(N)ccc1F ZINC000382149786 710801089 /nfs/dbraw/zinc/80/10/89/710801089.db2.gz PBOORKYFGKBGBM-UHFFFAOYSA-N 1 1 221.279 2.298 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC=CC2)C1 ZINC001046208387 710854286 /nfs/dbraw/zinc/85/42/86/710854286.db2.gz QVAPEVGLOBBWHC-OAHLLOKOSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284100 710899161 /nfs/dbraw/zinc/89/91/61/710899161.db2.gz DSUMQMVFBZCVPG-KGLIPLIRSA-N 1 1 248.370 2.038 20 30 BEEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284101 710899495 /nfs/dbraw/zinc/89/94/95/710899495.db2.gz DSUMQMVFBZCVPG-UONOGXRCSA-N 1 1 248.370 2.038 20 30 BEEDMO CCCCCCCC[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396838158 710908193 /nfs/dbraw/zinc/90/81/93/710908193.db2.gz GABFZXPWXHSDBC-ZIAGYGMSSA-N 1 1 243.391 2.022 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)CC1 ZINC001052212410 710963841 /nfs/dbraw/zinc/96/38/41/710963841.db2.gz RRAIRRUJXLBPGF-CYBMUJFWSA-N 1 1 238.375 2.189 20 30 BEEDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000384128870 710988813 /nfs/dbraw/zinc/98/88/13/710988813.db2.gz JBQJRHDQDBYTRY-OLZOCXBDSA-N 1 1 237.391 2.341 20 30 BEEDMO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCCC(C)(C)C#N ZINC000384128870 710988818 /nfs/dbraw/zinc/98/88/18/710988818.db2.gz JBQJRHDQDBYTRY-OLZOCXBDSA-N 1 1 237.391 2.341 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(C)n1 ZINC000384169715 710991833 /nfs/dbraw/zinc/99/18/33/710991833.db2.gz MMBPJDMTLDUTCU-LLVKDONJSA-N 1 1 208.330 2.343 20 30 BEEDMO C=CCC[NH2+][C@H](C(=O)OCC)C(C)(C)C ZINC000389940131 711099491 /nfs/dbraw/zinc/09/94/91/711099491.db2.gz OKSRJCXRVUFKMZ-SNVBAGLBSA-N 1 1 213.321 2.130 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000389964179 711101000 /nfs/dbraw/zinc/10/10/00/711101000.db2.gz WYGUGXBZIFYHBH-UHFFFAOYSA-N 1 1 239.628 2.271 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000389962922 711101196 /nfs/dbraw/zinc/10/11/96/711101196.db2.gz WJXIKFYNCXHZJQ-UHFFFAOYSA-N 1 1 221.691 2.128 20 30 BEEDMO C=CC[N@@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC000072252751 711126404 /nfs/dbraw/zinc/12/64/04/711126404.db2.gz HFHVSYBOYRSRRA-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO N#CCCNCc1c(O)ccc(Cl)c1F ZINC000393613551 711165291 /nfs/dbraw/zinc/16/52/91/711165291.db2.gz ZUZOTVGPXMJMQQ-UHFFFAOYSA-N 1 1 228.654 2.188 20 30 BEEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)CC1CC1 ZINC000393819120 711176027 /nfs/dbraw/zinc/17/60/27/711176027.db2.gz INDSMJLOQSVKKJ-NSHDSACASA-N 1 1 210.321 2.035 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CC=CC2)CC[C@@H]1C ZINC001071401676 711191429 /nfs/dbraw/zinc/19/14/29/711191429.db2.gz OQMTWVMYUQIEAQ-GXTWGEPZSA-N 1 1 248.370 2.108 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001072011958 711214093 /nfs/dbraw/zinc/21/40/93/711214093.db2.gz GJEGDARGCJNVOP-VXGBXAGGSA-N 1 1 238.375 2.188 20 30 BEEDMO N#CC[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000397591788 711387602 /nfs/dbraw/zinc/38/76/02/711387602.db2.gz CFDQLELVWCMOHT-CYBMUJFWSA-N 1 1 224.348 2.165 20 30 BEEDMO C[C@H](CC#N)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000381345628 710625489 /nfs/dbraw/zinc/62/54/89/710625489.db2.gz 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C#CCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000405145463 968958258 /nfs/dbraw/zinc/95/82/58/968958258.db2.gz MHEGXKPTQKLBOQ-UHFFFAOYSA-N 1 1 210.280 2.287 20 30 BEEDMO CC1(C[N@H+]2CCC[C@H](CC#N)C2)CCOCC1 ZINC001207969655 968969494 /nfs/dbraw/zinc/96/94/94/968969494.db2.gz QXTJHTMLUICTCA-CYBMUJFWSA-N 1 1 236.359 2.429 20 30 BEEDMO C[N@@H+]1CC=C(c2ccc(CC#N)c(C#N)c2)CC1 ZINC001241322361 968974997 /nfs/dbraw/zinc/97/49/97/968974997.db2.gz MLGNZLNHEXPYCU-UHFFFAOYSA-N 1 1 237.306 2.343 20 30 BEEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cccn1 ZINC001208077554 968982187 /nfs/dbraw/zinc/98/21/87/968982187.db2.gz IFXGWSVXSHJKBT-ZSOGYDGISA-N 1 1 244.342 2.040 20 30 BEEDMO C[N@H+]1CCC=C(c2ccnc3[nH]cc(C#N)c32)C1 ZINC001241570641 969064186 /nfs/dbraw/zinc/06/41/86/969064186.db2.gz MXSNEWSASLQTEF-UHFFFAOYSA-N 1 1 238.294 2.153 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001208171447 969103427 /nfs/dbraw/zinc/10/34/27/969103427.db2.gz UAJZAYIFMCHESW-HZSPNIEDSA-N 1 1 239.334 2.304 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001208171447 969103436 /nfs/dbraw/zinc/10/34/36/969103436.db2.gz UAJZAYIFMCHESW-HZSPNIEDSA-N 1 1 239.334 2.304 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC001208176618 969107886 /nfs/dbraw/zinc/10/78/86/969107886.db2.gz IPDGLTGTNGYAJC-GXTWGEPZSA-N 1 1 248.370 2.109 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC001208176618 969107891 /nfs/dbraw/zinc/10/78/91/969107891.db2.gz IPDGLTGTNGYAJC-GXTWGEPZSA-N 1 1 248.370 2.109 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC(=O)[C@H]2C)CC1 ZINC001208176619 969110512 /nfs/dbraw/zinc/11/05/12/969110512.db2.gz IPDGLTGTNGYAJC-TZMCWYRMSA-N 1 1 248.370 2.109 20 30 BEEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC(=O)[C@H]2C)CC1 ZINC001208176619 969110517 /nfs/dbraw/zinc/11/05/17/969110517.db2.gz IPDGLTGTNGYAJC-TZMCWYRMSA-N 1 1 248.370 2.109 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208185844 969116651 /nfs/dbraw/zinc/11/66/51/969116651.db2.gz IZYRSJBTPBTGAG-HNNXBMFYSA-N 1 1 248.414 2.454 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208185844 969116660 /nfs/dbraw/zinc/11/66/60/969116660.db2.gz IZYRSJBTPBTGAG-HNNXBMFYSA-N 1 1 248.414 2.454 20 30 BEEDMO C=CC[N@@H+](C)CCOCCOCc1ccccc1 ZINC001208752093 969230822 /nfs/dbraw/zinc/23/08/22/969230822.db2.gz MSIMXUSCBASMFU-UHFFFAOYSA-N 1 1 249.354 2.338 20 30 BEEDMO C#CC[N@H+](C[C@H](O)c1ccc(C)cc1)CC1CC1 ZINC001253563890 969238509 /nfs/dbraw/zinc/23/85/09/969238509.db2.gz ZCRYRHJKSYJRCG-INIZCTEOSA-N 1 1 243.350 2.374 20 30 BEEDMO C=C[C@H](O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC001253568911 969240820 /nfs/dbraw/zinc/24/08/20/969240820.db2.gz OSTXJXJXPREZDX-JTQLQIEISA-N 1 1 248.713 2.269 20 30 BEEDMO C=CC[N@H+](C)C[C@H](CC)CCC(=O)OC ZINC001208795707 969243715 /nfs/dbraw/zinc/24/37/15/969243715.db2.gz FVLHOTQRLKPXIU-LLVKDONJSA-N 1 1 213.321 2.084 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001253578509 969251656 /nfs/dbraw/zinc/25/16/56/969251656.db2.gz CQDVLGNUKBGGSS-RYUDHWBXSA-N 1 1 235.302 2.162 20 30 BEEDMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC001253581989 969257089 /nfs/dbraw/zinc/25/70/89/969257089.db2.gz LOJLNCXBVXKXTA-DZGCQCFKSA-N 1 1 247.338 2.379 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001253580838 969258942 /nfs/dbraw/zinc/25/89/42/969258942.db2.gz FLKCXNUMVZTQKX-UONOGXRCSA-N 1 1 217.312 2.370 20 30 BEEDMO C=C[C@@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC001253584041 969260723 /nfs/dbraw/zinc/26/07/23/969260723.db2.gz CTCXBWAEMIYQKG-LLVKDONJSA-N 1 1 237.730 2.245 20 30 BEEDMO C=C[C@@H](O)C[N@H+](CC(=O)c1ccccc1)C(C)C ZINC001253583583 969262265 /nfs/dbraw/zinc/26/22/65/969262265.db2.gz HJQAJYSXNQEQLK-CQSZACIVSA-N 1 1 247.338 2.127 20 30 BEEDMO C=C[C@@H](O)C[N@@H+](CC(=O)c1ccccc1)C(C)C ZINC001253583583 969262275 /nfs/dbraw/zinc/26/22/75/969262275.db2.gz HJQAJYSXNQEQLK-CQSZACIVSA-N 1 1 247.338 2.127 20 30 BEEDMO C=C[C@@H](O)C[N@H+](CC)Cc1ccccc1F ZINC001253584604 969262808 /nfs/dbraw/zinc/26/28/08/969262808.db2.gz OEDXRVSSSBMLDC-GFCCVEGCSA-N 1 1 223.291 2.195 20 30 BEEDMO C=C[C@H](O)C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001253587125 969272896 /nfs/dbraw/zinc/27/28/96/969272896.db2.gz ZMWUVKWNFFYGIX-NSHDSACASA-N 1 1 243.306 2.338 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001253587125 969272905 /nfs/dbraw/zinc/27/29/05/969272905.db2.gz ZMWUVKWNFFYGIX-NSHDSACASA-N 1 1 243.306 2.338 20 30 BEEDMO C=C[C@H](O)CNc1cccc2cc[nH+]cc21 ZINC001253591403 969279172 /nfs/dbraw/zinc/27/91/72/969279172.db2.gz XNTCCRQEEXZSTH-NSHDSACASA-N 1 1 214.268 2.194 20 30 BEEDMO C=C[C@H](O)C[NH2+]CCP(C(C)C)C(C)C ZINC001253611462 969312551 /nfs/dbraw/zinc/31/25/51/969312551.db2.gz PVYSFZUYBIUQHP-LBPRGKRZSA-N 1 1 231.320 2.422 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208981258 969316018 /nfs/dbraw/zinc/31/60/18/969316018.db2.gz IKAOCDBBFMFNHD-AWEZNQCLSA-N 1 1 238.375 2.143 20 30 BEEDMO C[N@H+]1CC=C(Nc2c(C#N)ccc(F)c2F)CC1 ZINC001208978438 969317043 /nfs/dbraw/zinc/31/70/43/969317043.db2.gz CGMJTQSDDXQWLW-UHFFFAOYSA-N 1 1 249.264 2.468 20 30 BEEDMO C[N@@H+]1CC=C(Nc2c(C#N)ccc(F)c2F)CC1 ZINC001208978438 969317048 /nfs/dbraw/zinc/31/70/48/969317048.db2.gz CGMJTQSDDXQWLW-UHFFFAOYSA-N 1 1 249.264 2.468 20 30 BEEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209161790 969360387 /nfs/dbraw/zinc/36/03/87/969360387.db2.gz DWFKIHCSDNDPOT-AWEZNQCLSA-N 1 1 232.327 2.421 20 30 BEEDMO C=CCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209161790 969360389 /nfs/dbraw/zinc/36/03/89/969360389.db2.gz DWFKIHCSDNDPOT-AWEZNQCLSA-N 1 1 232.327 2.421 20 30 BEEDMO C=CCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001209163754 969364360 /nfs/dbraw/zinc/36/43/60/969364360.db2.gz KHVPVSSWUGNUSO-CYBMUJFWSA-N 1 1 223.316 2.124 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001209200941 969389000 /nfs/dbraw/zinc/38/90/00/969389000.db2.gz QNFGFBUWBQKDTP-OCCSQVGLSA-N 1 1 237.343 2.370 20 30 BEEDMO C=CCCCC[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001209201603 969390215 /nfs/dbraw/zinc/39/02/15/969390215.db2.gz OMGYEMIXCAARCF-STQMWFEESA-N 1 1 211.349 2.436 20 30 BEEDMO C=CCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001209204947 969390358 /nfs/dbraw/zinc/39/03/58/969390358.db2.gz MRBXREDCVFYOCJ-UHFFFAOYSA-N 1 1 240.366 2.461 20 30 BEEDMO C=CCCCC[N@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001209205003 969392481 /nfs/dbraw/zinc/39/24/81/969392481.db2.gz ODSWCMPKBXHQRC-QWHCGFSZSA-N 1 1 239.359 2.474 20 30 BEEDMO C=CCCCC[N@@H+]1CCc2nccn2CC1 ZINC001209207322 969393018 /nfs/dbraw/zinc/39/30/18/969393018.db2.gz SSUIWMJINKGGQO-UHFFFAOYSA-N 1 1 219.332 2.098 20 30 BEEDMO C=CCCCC[N@H+](CC)[C@@H](C)C(=O)OC ZINC001209208705 969397590 /nfs/dbraw/zinc/39/75/90/969397590.db2.gz YKCVWOVHWNTFPR-NSHDSACASA-N 1 1 213.321 2.226 20 30 BEEDMO COCCCC[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001209217744 969404521 /nfs/dbraw/zinc/40/45/21/969404521.db2.gz MOECSSMXDPNZLL-UHFFFAOYSA-N 1 1 244.338 2.343 20 30 BEEDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C#N)CC1)C2 ZINC001169089896 969410471 /nfs/dbraw/zinc/41/04/71/969410471.db2.gz GKYXBVGHXNEUKI-SZQRGFMASA-N 1 1 247.386 2.284 20 30 BEEDMO C#CCCC[N@H+](C)CCN(C)Cc1ccccc1 ZINC001209268263 969418025 /nfs/dbraw/zinc/41/80/25/969418025.db2.gz XFOVPOICXQBMHN-UHFFFAOYSA-N 1 1 244.382 2.464 20 30 BEEDMO C#CCCC[N@H+](CC(=O)OCC)C1CCCC1 ZINC001209267317 969420234 /nfs/dbraw/zinc/42/02/34/969420234.db2.gz FXDWIBUKYQKBDR-UHFFFAOYSA-N 1 1 237.343 2.208 20 30 BEEDMO CC(C)C[C@@H](C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169108550 969449225 /nfs/dbraw/zinc/44/92/25/969449225.db2.gz BCVQVJILXBUJIB-FQUUOJAGSA-N 1 1 235.375 2.139 20 30 BEEDMO CCCCN(CC#N)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169146100 969461168 /nfs/dbraw/zinc/46/11/68/969461168.db2.gz OMNJZVSZJGFGMK-WDNDVIMCSA-N 1 1 235.375 2.237 20 30 BEEDMO C=CCCCCC[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001209423586 969492604 /nfs/dbraw/zinc/49/26/04/969492604.db2.gz SWLBMDFHEXOPAD-RYUDHWBXSA-N 1 1 215.312 2.138 20 30 BEEDMO CCN1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001169264578 969520667 /nfs/dbraw/zinc/52/06/67/969520667.db2.gz IURYGVXPTUYHAY-UHFFFAOYSA-N 1 1 235.375 2.096 20 30 BEEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccn1 ZINC001209640441 969570129 /nfs/dbraw/zinc/57/01/29/969570129.db2.gz ALSFCUKYYGANJR-GFCCVEGCSA-N 1 1 245.326 2.216 20 30 BEEDMO C[N@H+]1CCC[C@H](NCc2ccccc2C#N)CC1 ZINC001254500993 969660934 /nfs/dbraw/zinc/66/09/34/969660934.db2.gz NTHGSLFMKITCCT-HNNXBMFYSA-N 1 1 243.354 2.132 20 30 BEEDMO CN1CCC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524598 969708100 /nfs/dbraw/zinc/70/81/00/969708100.db2.gz XLSYPXWXPRRFMO-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO CN1CCC[C@H]([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524598 969708108 /nfs/dbraw/zinc/70/81/08/969708108.db2.gz XLSYPXWXPRRFMO-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO C#CC[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254557799 969737630 /nfs/dbraw/zinc/73/76/30/969737630.db2.gz BLJMHGKQSRHWDZ-LLVKDONJSA-N 1 1 232.283 2.091 20 30 BEEDMO Cc1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC001254634811 969749157 /nfs/dbraw/zinc/74/91/57/969749157.db2.gz MCILORSUMRHXBU-WDEREUQCSA-N 1 1 219.288 2.073 20 30 BEEDMO C[C@H]1C[C@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@H]2O1 ZINC001254657302 969769353 /nfs/dbraw/zinc/76/93/53/969769353.db2.gz CNWLHRZWFWLNKA-HTVCTNPSSA-N 1 1 234.343 2.178 20 30 BEEDMO CC(C)[N@@H+](C)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254673983 969779216 /nfs/dbraw/zinc/77/92/16/969779216.db2.gz RYYQLNPBGPEJMT-MELADBBJSA-N 1 1 235.375 2.093 20 30 BEEDMO CCC[N@H+](CCCN(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254675027 969781579 /nfs/dbraw/zinc/78/15/79/969781579.db2.gz DIUQCFBFVAUUEN-KBPBESRZSA-N 1 1 237.391 2.342 20 30 BEEDMO CCC[N@@H+](CCCN(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254675027 969781581 /nfs/dbraw/zinc/78/15/81/969781581.db2.gz DIUQCFBFVAUUEN-KBPBESRZSA-N 1 1 237.391 2.342 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001254674149 969782250 /nfs/dbraw/zinc/78/22/50/969782250.db2.gz UTKSADONFBJCRO-ILXRZTDVSA-N 1 1 248.370 2.427 20 30 BEEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859577 969810757 /nfs/dbraw/zinc/81/07/57/969810757.db2.gz FPLFDSWZGGNQDK-HUUCEWRRSA-N 1 1 247.386 2.096 20 30 BEEDMO N#CC[C@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254859577 969810759 /nfs/dbraw/zinc/81/07/59/969810759.db2.gz FPLFDSWZGGNQDK-HUUCEWRRSA-N 1 1 247.386 2.096 20 30 BEEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859578 969811416 /nfs/dbraw/zinc/81/14/16/969811416.db2.gz FPLFDSWZGGNQDK-LSDHHAIUSA-N 1 1 247.386 2.096 20 30 BEEDMO N#CC[C@@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254859578 969811417 /nfs/dbraw/zinc/81/14/17/969811417.db2.gz FPLFDSWZGGNQDK-LSDHHAIUSA-N 1 1 247.386 2.096 20 30 BEEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254860038 969811561 /nfs/dbraw/zinc/81/15/61/969811561.db2.gz IVQBHJCEBNIAQU-HUUCEWRRSA-N 1 1 247.386 2.096 20 30 BEEDMO N#C[C@@H]1CCCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254860038 969811564 /nfs/dbraw/zinc/81/15/64/969811564.db2.gz 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/nfs/dbraw/zinc/42/09/76/989420976.db2.gz QYVSYVIRGBBECB-GFCCVEGCSA-N 1 1 209.333 2.003 20 30 BEEDMO C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)[C@H]1CO ZINC001119840974 989431632 /nfs/dbraw/zinc/43/16/32/989431632.db2.gz DQEVITHQJSQOTM-ABXWRUBCSA-N 1 1 236.359 2.019 20 30 BEEDMO C[C@@H](C[NH+]1CC(O)(CC#N)C1)C1CCCCC1 ZINC001326405284 989547075 /nfs/dbraw/zinc/54/70/75/989547075.db2.gz CHAOKKYABLMFKU-LBPRGKRZSA-N 1 1 236.359 2.163 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001326488647 989580248 /nfs/dbraw/zinc/58/02/48/989580248.db2.gz LHGONWOEZCDRNY-MJBXVCDLSA-N 1 1 223.360 2.436 20 30 BEEDMO C=C(CC(C)C)C(=O)NCC[N@H+](CC)C(C)C ZINC001520994666 989629856 /nfs/dbraw/zinc/62/98/56/989629856.db2.gz GZJFFDSMHXUBPH-UHFFFAOYSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CC[C@H](CO)CNc1ccc(CC)c[nH+]1 ZINC001120914159 989963786 /nfs/dbraw/zinc/96/37/86/989963786.db2.gz LYTMZCSWXQMPKJ-LBPRGKRZSA-N 1 1 220.316 2.241 20 30 BEEDMO C=C(CC)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC001528433412 990288165 /nfs/dbraw/zinc/28/81/65/990288165.db2.gz GVTUXXAWQQJQRA-LBPRGKRZSA-N 1 1 226.364 2.189 20 30 BEEDMO C=C(CC)C(=O)NCCC[N@@H+](C)CC(C)C ZINC001528517520 990295676 /nfs/dbraw/zinc/29/56/76/990295676.db2.gz KFPVXWXTSRZLKC-UHFFFAOYSA-N 1 1 226.364 2.047 20 30 BEEDMO C=C(CC)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001123856043 990685471 /nfs/dbraw/zinc/68/54/71/990685471.db2.gz MNRWLWZSCRUZBU-UHFFFAOYSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC1CC1 ZINC001566482031 990761828 /nfs/dbraw/zinc/76/18/28/990761828.db2.gz XVWVZTNOYNRANT-UHFFFAOYSA-N 1 1 238.375 2.047 20 30 BEEDMO COc1ccc(C[N@@H+]2CC[C@H]2C)c(C#N)c1 ZINC001137699400 990841716 /nfs/dbraw/zinc/84/17/16/990841716.db2.gz GYTUQXZRNWYVAL-SNVBAGLBSA-N 1 1 216.284 2.161 20 30 BEEDMO COc1ccc(C[N@H+]2CC[C@H]2C)c(C#N)c1 ZINC001137699400 990841719 /nfs/dbraw/zinc/84/17/19/990841719.db2.gz GYTUQXZRNWYVAL-SNVBAGLBSA-N 1 1 216.284 2.161 20 30 BEEDMO COc1ccc(C[N@H+](C)C2CC2)c(C#N)c1 ZINC001137698180 990842333 /nfs/dbraw/zinc/84/23/33/990842333.db2.gz MULZMEHXZRTFOO-UHFFFAOYSA-N 1 1 216.284 2.161 20 30 BEEDMO COc1ccc(C[N@@H+](C)C2CC2)c(C#N)c1 ZINC001137698180 990842335 /nfs/dbraw/zinc/84/23/35/990842335.db2.gz MULZMEHXZRTFOO-UHFFFAOYSA-N 1 1 216.284 2.161 20 30 BEEDMO C=CC[N@H+](Cc1cnc(N)nc1)C1CCCCC1 ZINC001138169557 990896228 /nfs/dbraw/zinc/89/62/28/990896228.db2.gz MQARRSXKOVPGMI-UHFFFAOYSA-N 1 1 246.358 2.380 20 30 BEEDMO C=CC[N@H+](C)Cc1cccc2nccnc12 ZINC001138306216 990908863 /nfs/dbraw/zinc/90/88/63/990908863.db2.gz JHMRPLFFLPQNTQ-UHFFFAOYSA-N 1 1 213.284 2.248 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2cnc[nH]2)cc1Cl ZINC001308384826 990977437 /nfs/dbraw/zinc/97/74/37/990977437.db2.gz XZZPMEXHYCJFKL-UHFFFAOYSA-N 1 1 246.701 2.225 20 30 BEEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC001138623495 990983960 /nfs/dbraw/zinc/98/39/60/990983960.db2.gz GZEVHYSHTMEFOY-AWEZNQCLSA-N 1 1 247.338 2.077 20 30 BEEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1O ZINC001138628138 990986849 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/nfs/dbraw/zinc/04/59/31/991045931.db2.gz ASCRPEYUTCZOEL-UHFFFAOYSA-N 1 1 233.290 2.346 20 30 BEEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccnc2F)CC1 ZINC001138787101 991053536 /nfs/dbraw/zinc/05/35/36/991053536.db2.gz CCLRPFYUGRYGAE-LLVKDONJSA-N 1 1 233.290 2.346 20 30 BEEDMO N#C[C@@H]1CCC[N@H+](Cc2cccnc2F)CC1 ZINC001138787101 991053550 /nfs/dbraw/zinc/05/35/50/991053550.db2.gz CCLRPFYUGRYGAE-LLVKDONJSA-N 1 1 233.290 2.346 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)C[C@]1(C)CCCCO1 ZINC001308625154 991065201 /nfs/dbraw/zinc/06/52/01/991065201.db2.gz FJSCOCPZDRRXJC-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@]1(C)CCCCO1 ZINC001308625154 991065212 /nfs/dbraw/zinc/06/52/12/991065212.db2.gz FJSCOCPZDRRXJC-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO CSCC[C@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001258223048 991152174 /nfs/dbraw/zinc/15/21/74/991152174.db2.gz UYYWWIBCBVDLRD-WDEREUQCSA-N 1 1 212.362 2.364 20 30 BEEDMO CSCC[C@@H](C)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258223046 991154100 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/nfs/dbraw/zinc/31/20/30/991312030.db2.gz JILFQVMFSLWXHO-UHFFFAOYSA-N 1 1 227.311 2.016 20 30 BEEDMO C#CC[N@H+](C)Cc1c(C)cc(O)cc1C ZINC001139715062 991340114 /nfs/dbraw/zinc/34/01/14/991340114.db2.gz QXESLXLKPKZTTR-UHFFFAOYSA-N 1 1 203.285 2.074 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cnc2c(c1)OCCO2 ZINC001139736612 991344878 /nfs/dbraw/zinc/34/48/78/991344878.db2.gz KTWJZOXZRKMJFN-UHFFFAOYSA-N 1 1 248.326 2.251 20 30 BEEDMO Cc1ccc(C[N@H+](C)Cc2ccno2)cc1C#N ZINC001139727344 991346468 /nfs/dbraw/zinc/34/64/68/991346468.db2.gz NYOKQGLXTUUUHW-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO Cc1ccc(C[N@@H+](C)Cc2ccno2)cc1C#N ZINC001139727344 991346477 /nfs/dbraw/zinc/34/64/77/991346477.db2.gz NYOKQGLXTUUUHW-UHFFFAOYSA-N 1 1 241.294 2.487 20 30 BEEDMO C=CC[N@H+](C)Cc1cnc2cccnc2c1 ZINC001139742440 991349500 /nfs/dbraw/zinc/34/95/00/991349500.db2.gz BWMWHGJNPMJVMK-UHFFFAOYSA-N 1 1 213.284 2.248 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H](C)COC ZINC001559993059 991354513 /nfs/dbraw/zinc/35/45/13/991354513.db2.gz ODDUNUKHCAWPTM-MELADBBJSA-N 1 1 241.375 2.060 20 30 BEEDMO C=CCn1cc(C[N@H+](CC)C(C)C)cn1 ZINC001139765745 991358678 /nfs/dbraw/zinc/35/86/78/991358678.db2.gz FINJZUZZTINCIN-UHFFFAOYSA-N 1 1 207.321 2.299 20 30 BEEDMO C=CCn1cc(C[N@@H+]2CCCC[C@@H]2COC)cn1 ZINC001139767900 991362262 /nfs/dbraw/zinc/36/22/62/991362262.db2.gz DFDDYJYLECMPKQ-CQSZACIVSA-N 1 1 249.358 2.070 20 30 BEEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001317539319 991378411 /nfs/dbraw/zinc/37/84/11/991378411.db2.gz SLAVZFKEKWPICG-QWHCGFSZSA-N 1 1 238.375 2.047 20 30 BEEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC ZINC001316801083 991399350 /nfs/dbraw/zinc/39/93/50/991399350.db2.gz MWIDHLVKLBBGIO-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC[N@H+](C)CCCNC(=O)[C@H](C)CCC ZINC001316815134 991406212 /nfs/dbraw/zinc/40/62/12/991406212.db2.gz GNIKHHUAHSWSHB-GFCCVEGCSA-N 1 1 226.364 2.047 20 30 BEEDMO Cc1noc([C@@H]([NH2+]CC2(CC#N)CC2)C(C)C)n1 ZINC001560242782 991441370 /nfs/dbraw/zinc/44/13/70/991441370.db2.gz JBYWLIOZNDVWNA-NSHDSACASA-N 1 1 248.330 2.359 20 30 BEEDMO C=CC[N@@H+](Cc1ccnnc1)C(C)(C)C ZINC001139986234 991466727 /nfs/dbraw/zinc/46/67/27/991466727.db2.gz DUUZCILZFASWLY-UHFFFAOYSA-N 1 1 205.305 2.263 20 30 BEEDMO C=CC[N@@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001317444036 991512019 /nfs/dbraw/zinc/51/20/19/991512019.db2.gz HFSVMAILCDHGSM-UHFFFAOYSA-N 1 1 236.359 2.111 20 30 BEEDMO C=CC[N@H+](C)CCNC(=O)[C@](C)(F)CCCC ZINC001317452071 991518615 /nfs/dbraw/zinc/51/86/15/991518615.db2.gz VDLACJHLDZUOSI-CYBMUJFWSA-N 1 1 244.354 2.139 20 30 BEEDMO CC(=O)C[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110371 991523265 /nfs/dbraw/zinc/52/32/65/991523265.db2.gz KPCPXHZIPHUBLG-UHFFFAOYSA-N 1 1 241.294 2.060 20 30 BEEDMO CC(=O)C[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110371 991523274 /nfs/dbraw/zinc/52/32/74/991523274.db2.gz KPCPXHZIPHUBLG-UHFFFAOYSA-N 1 1 241.294 2.060 20 30 BEEDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(C#N)cc1F ZINC001140136426 991536507 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CCCN1CCC([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000602778470 349744955 /nfs/dbraw/zinc/74/49/55/349744955.db2.gz LSUGMAVBBWYZAM-UHFFFAOYSA-N 1 1 249.402 2.486 20 30 BEEDMO CC[N@H+]1CC[C@H](N(C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745951 /nfs/dbraw/zinc/74/59/51/349745951.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@H]([N@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745963 /nfs/dbraw/zinc/74/59/63/349745963.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745964 /nfs/dbraw/zinc/74/59/64/349745964.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 1 1 249.402 2.485 20 30 BEEDMO C[C@@H]1OCC[C@H]1C[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000602818758 349760051 /nfs/dbraw/zinc/76/00/51/349760051.db2.gz OSRADFXEZZHDOT-AVGNSLFASA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@@H]1OCC[C@H]1C[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000602818758 349760053 /nfs/dbraw/zinc/76/00/53/349760053.db2.gz OSRADFXEZZHDOT-AVGNSLFASA-N 1 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215.300 2.328 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CCC3(CCC3)C2)n1 ZINC000602471370 369792902 /nfs/dbraw/zinc/79/29/02/369792902.db2.gz MOZLJITXZDVADH-UHFFFAOYSA-N 1 1 227.311 2.329 20 30 BEEDMO CC[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602484001 369794138 /nfs/dbraw/zinc/79/41/38/369794138.db2.gz KWAXWIHQSIBRAU-NSHDSACASA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602931466 369866473 /nfs/dbraw/zinc/86/64/73/369866473.db2.gz VYZXVWRUFSHGRV-ZWNOBZJWSA-N 1 1 248.301 2.043 20 30 BEEDMO C=CCCC(C)(C)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000620856162 370009846 /nfs/dbraw/zinc/00/98/46/370009846.db2.gz MUQVPJIUSHHSPR-UHFFFAOYSA-N 1 1 238.375 2.189 20 30 BEEDMO C[N@H+](CCc1ccccn1)[C@@H]1CCC[C@H]1C#N ZINC000252432920 370032948 /nfs/dbraw/zinc/03/29/48/370032948.db2.gz ASYCVSOHOGOXSW-GXTWGEPZSA-N 1 1 229.327 2.248 20 30 BEEDMO C[N@@H+](CCc1ccccn1)[C@@H]1CCC[C@H]1C#N ZINC000252432920 370032949 /nfs/dbraw/zinc/03/29/49/370032949.db2.gz ASYCVSOHOGOXSW-GXTWGEPZSA-N 1 1 229.327 2.248 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000307814710 370048299 /nfs/dbraw/zinc/04/82/99/370048299.db2.gz LGBGBEYMJVJXQS-VXGBXAGGSA-N 1 1 225.332 2.082 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000307814710 370048300 /nfs/dbraw/zinc/04/83/00/370048300.db2.gz LGBGBEYMJVJXQS-VXGBXAGGSA-N 1 1 225.332 2.082 20 30 BEEDMO CCO[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000074991220 370066043 /nfs/dbraw/zinc/06/60/43/370066043.db2.gz QDEWCHPRKJXVPQ-LBPRGKRZSA-N 1 1 242.388 2.134 20 30 BEEDMO C[N@@H+](CCC1CC1)Cc1ccnc(C#N)c1 ZINC000309783555 370260815 /nfs/dbraw/zinc/26/08/15/370260815.db2.gz RUFNBYJJXJBHLL-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO COCC#CC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000621399729 370337838 /nfs/dbraw/zinc/33/78/38/370337838.db2.gz CJURFBDOJXJJIW-LBPRGKRZSA-N 1 1 215.296 2.213 20 30 BEEDMO COCC#CC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000621399729 370337841 /nfs/dbraw/zinc/33/78/41/370337841.db2.gz CJURFBDOJXJJIW-LBPRGKRZSA-N 1 1 215.296 2.213 20 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CN(C[C@H]1CCC[N@H+]1C)c1cc(F)ccc1C#N ZINC001642829651 1172408574 /nfs/dbraw/zinc/40/85/74/1172408574.db2.gz FCEZNPDOBKTYGV-CYBMUJFWSA-N 1 1 247.317 2.228 20 30 BEEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C[C@@H]1C ZINC000334741027 371519142 /nfs/dbraw/zinc/51/91/42/371519142.db2.gz YDLDWWFIACWYKO-GWCFXTLKSA-N 1 1 234.299 2.008 20 30 BEEDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1C#N ZINC000335178655 371530057 /nfs/dbraw/zinc/53/00/57/371530057.db2.gz NOBAMJVVBPXYJH-WFASDCNBSA-N 1 1 244.338 2.151 20 30 BEEDMO CC[C@]1(O)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000602738270 371836540 /nfs/dbraw/zinc/83/65/40/371836540.db2.gz DEEGHBFPVKBBPT-HNNXBMFYSA-N 1 1 244.338 2.295 20 30 BEEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000132523837 371852475 /nfs/dbraw/zinc/85/24/75/371852475.db2.gz WVBANEZATLTGON-UHFFFAOYSA-N 1 1 218.300 2.133 20 30 BEEDMO CC(C)[C@@H]([NH3+])CCN(C)Cc1cccc(C#N)c1 ZINC000133425677 372046955 /nfs/dbraw/zinc/04/69/55/372046955.db2.gz UOULHMVGGVCUKK-HNNXBMFYSA-N 1 1 245.370 2.363 20 30 BEEDMO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000631574511 372434136 /nfs/dbraw/zinc/43/41/36/372434136.db2.gz AIQBARIHUJRDFE-OLZOCXBDSA-N 1 1 248.370 2.038 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H](C)CC ZINC000171949497 372838480 /nfs/dbraw/zinc/83/84/80/372838480.db2.gz FEUWMYFCOPADDS-ZDUSSCGKSA-N 1 1 238.375 2.165 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)C1 ZINC001643169397 1172443337 /nfs/dbraw/zinc/44/33/37/1172443337.db2.gz BPQIGZQBUBLTRZ-XLWJZTARSA-N 1 1 248.370 2.304 20 30 BEEDMO CC(C)OCCC[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001643175664 1172443615 /nfs/dbraw/zinc/44/36/15/1172443615.db2.gz SUVWHCUTPLVBGN-UHFFFAOYSA-N 1 1 247.342 2.200 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(CCOC)c1 ZINC000426562365 206052875 /nfs/dbraw/zinc/05/28/75/206052875.db2.gz RRTDNUMIVHQIHG-CQSZACIVSA-N 1 1 249.358 2.070 20 30 BEEDMO CCOC1(C)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000428724558 206059973 /nfs/dbraw/zinc/05/99/73/206059973.db2.gz MSZVDCBVNQNFJK-CYBMUJFWSA-N 1 1 249.358 2.321 20 30 BEEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCCCC#N)C[C@@H](C)C1 ZINC000429021522 206061028 /nfs/dbraw/zinc/06/10/28/206061028.db2.gz QUEDDWDVHUNZHE-RBSFLKMASA-N 1 1 249.402 2.342 20 30 BEEDMO C[C@@H]1C[C@H]1N1CC[N@H+](CCCCC#N)C[C@@H](C)C1 ZINC000429021522 206061032 /nfs/dbraw/zinc/06/10/32/206061032.db2.gz QUEDDWDVHUNZHE-RBSFLKMASA-N 1 1 249.402 2.342 20 30 BEEDMO C[C@@H]1C[C@H]1N1CC[N@@H+](CCCCC#N)C[C@@H](C)C1 ZINC000429021522 206061034 /nfs/dbraw/zinc/06/10/34/206061034.db2.gz QUEDDWDVHUNZHE-RBSFLKMASA-N 1 1 249.402 2.342 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000451910318 206110559 /nfs/dbraw/zinc/11/05/59/206110559.db2.gz MVSKFPQQFMEAIE-MGPQQGTHSA-N 1 1 234.343 2.181 20 30 BEEDMO CCC[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000037095043 169121223 /nfs/dbraw/zinc/12/12/23/169121223.db2.gz MQPFJCDYIYLIBT-UHFFFAOYSA-N 1 1 245.326 2.229 20 30 BEEDMO CCC[N@@H+](Cc1ccc(C#N)o1)CC(C)(C)O ZINC000271163976 169175768 /nfs/dbraw/zinc/17/57/68/169175768.db2.gz LYNSYPRIYSWAQR-UHFFFAOYSA-N 1 1 236.315 2.134 20 30 BEEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C#N)o1 ZINC000353131129 169199926 /nfs/dbraw/zinc/19/99/26/169199926.db2.gz ASLJJUSWGQXWEQ-LBPRGKRZSA-N 1 1 247.342 2.115 20 30 BEEDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000353131129 169199928 /nfs/dbraw/zinc/19/99/28/169199928.db2.gz ASLJJUSWGQXWEQ-LBPRGKRZSA-N 1 1 247.342 2.115 20 30 BEEDMO N#Cc1cccc(C[N@H+](CCO)C2CCC2)c1F ZINC000221150200 134317177 /nfs/dbraw/zinc/31/71/77/134317177.db2.gz KDGGRFJSFKTDHM-UHFFFAOYSA-N 1 1 248.301 2.044 20 30 BEEDMO C=C(C)C[N@@H+](C)[C@@H](CCCC)C(=O)OC ZINC000181287363 134335308 /nfs/dbraw/zinc/33/53/08/134335308.db2.gz JLIBBYPSHCEJCS-NSHDSACASA-N 1 1 213.321 2.226 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](CCCC)C(=O)OC ZINC000181287363 134335309 /nfs/dbraw/zinc/33/53/09/134335309.db2.gz JLIBBYPSHCEJCS-NSHDSACASA-N 1 1 213.321 2.226 20 30 BEEDMO N#Cc1ccnc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC001644965478 1172623561 /nfs/dbraw/zinc/62/35/61/1172623561.db2.gz PTKFPSDRTTZEBP-CYBMUJFWSA-N 1 1 227.311 2.185 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCOC1 ZINC000334427138 383877802 /nfs/dbraw/zinc/87/78/02/383877802.db2.gz ZSYMANPFCWNWGH-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000518527559 383984003 /nfs/dbraw/zinc/98/40/03/383984003.db2.gz BXHQJXGMNTYHMA-ZDUSSCGKSA-N 1 1 236.359 2.427 20 30 BEEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N1CCCCC1 ZINC000298763163 383985973 /nfs/dbraw/zinc/98/59/73/383985973.db2.gz VJKBTSDGPLJOKL-ZDUSSCGKSA-N 1 1 236.359 2.061 20 30 BEEDMO CO[C@H](C)C[N@H+](C)Cc1cc(F)ccc1C#N ZINC000285554481 383995332 /nfs/dbraw/zinc/99/53/32/383995332.db2.gz GRALLQPTUMQYDC-SNVBAGLBSA-N 1 1 236.290 2.164 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000285554481 383995338 /nfs/dbraw/zinc/99/53/38/383995338.db2.gz GRALLQPTUMQYDC-SNVBAGLBSA-N 1 1 236.290 2.164 20 30 BEEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCOCC3)s1 ZINC000334791722 383953582 /nfs/dbraw/zinc/95/35/82/383953582.db2.gz FWJLPINWYWSJSK-UHFFFAOYSA-N 1 1 248.351 2.232 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1NC(C)=O ZINC000090962586 384087018 /nfs/dbraw/zinc/08/70/18/384087018.db2.gz XDQIGXGINATJIR-ZDUSSCGKSA-N 1 1 245.326 2.427 20 30 BEEDMO C[C@@H]1[N@@H+](CC2(C#N)CC2)CCC12CCOCC2 ZINC000336526668 384055946 /nfs/dbraw/zinc/05/59/46/384055946.db2.gz MFYULCBFFSHYRT-LBPRGKRZSA-N 1 1 234.343 2.181 20 30 BEEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)COC ZINC000298914596 384080676 /nfs/dbraw/zinc/08/06/76/384080676.db2.gz NFTZAVOTSPHWER-LBPRGKRZSA-N 1 1 223.316 2.345 20 30 BEEDMO C#CCCCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000375843580 533033949 /nfs/dbraw/zinc/03/39/49/533033949.db2.gz YDWFWTQKYMQPBM-KFWWJZLASA-N 1 1 234.387 2.252 20 30 BEEDMO C#CCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000299249991 384155123 /nfs/dbraw/zinc/15/51/23/384155123.db2.gz YMRSRIPDKSDKCZ-UHFFFAOYSA-N 1 1 200.285 2.069 20 30 BEEDMO C[C@H](O)C[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187080119 384161093 /nfs/dbraw/zinc/16/10/93/384161093.db2.gz CRDXWWGVAXCFNV-VIFPVBQESA-N 1 1 238.718 2.024 20 30 BEEDMO C[C@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187080119 384161096 /nfs/dbraw/zinc/16/10/96/384161096.db2.gz CRDXWWGVAXCFNV-VIFPVBQESA-N 1 1 238.718 2.024 20 30 BEEDMO C[N@@H+](Cc1cnccn1)CC(C)(C)CCC#N ZINC000092591858 384185682 /nfs/dbraw/zinc/18/56/82/384185682.db2.gz RJMCZZCCZVYBOK-UHFFFAOYSA-N 1 1 232.331 2.238 20 30 BEEDMO C#CCC[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000371206153 533042628 /nfs/dbraw/zinc/04/26/28/533042628.db2.gz XHOSWBOTOUOQHB-SWLSCSKDSA-N 1 1 229.323 2.334 20 30 BEEDMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CC[C@H](C#N)C1 ZINC000408384460 384180381 /nfs/dbraw/zinc/18/03/81/384180381.db2.gz ZMSOUKPVBPJMIM-GRYCIOLGSA-N 1 1 205.305 2.160 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CC[C@H](C#N)C1 ZINC000408384460 384180386 /nfs/dbraw/zinc/18/03/86/384180386.db2.gz ZMSOUKPVBPJMIM-GRYCIOLGSA-N 1 1 205.305 2.160 20 30 BEEDMO C#CCC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000371206151 533043931 /nfs/dbraw/zinc/04/39/31/533043931.db2.gz XHOSWBOTOUOQHB-IUODEOHRSA-N 1 1 229.323 2.334 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(OC)c1 ZINC000299406806 384206555 /nfs/dbraw/zinc/20/65/55/384206555.db2.gz XZOHZHQIDJGTRX-UHFFFAOYSA-N 1 1 203.285 2.150 20 30 BEEDMO C#C[C@@H](Nc1[nH+]cnc2[nH]ccc21)C(C)C ZINC000309647225 384192496 /nfs/dbraw/zinc/19/24/96/384192496.db2.gz WMCLKDWFLWDTHU-SNVBAGLBSA-N 1 1 214.272 2.028 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374370300 384233560 /nfs/dbraw/zinc/23/35/60/384233560.db2.gz WWHFKDBXDCLLPY-AWEZNQCLSA-N 1 1 236.359 2.429 20 30 BEEDMO C[C@H]1C[N@@H+](CCCSCC#N)CC(C)(C)O1 ZINC000173873342 384276906 /nfs/dbraw/zinc/27/69/06/384276906.db2.gz YYPVQSRULWBGGZ-NSHDSACASA-N 1 1 242.388 2.133 20 30 BEEDMO CC(C)=CC[NH2+]Cc1nc(C#N)cs1 ZINC000336701010 384253620 /nfs/dbraw/zinc/25/36/20/384253620.db2.gz XPEOAHLWWMOIPV-UHFFFAOYSA-N 1 1 207.302 2.071 20 30 BEEDMO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301880 384260903 /nfs/dbraw/zinc/26/09/03/384260903.db2.gz CUEMVRHWWKMKGH-UHFFFAOYSA-N 1 1 230.267 2.192 20 30 BEEDMO C#CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301880 384260906 /nfs/dbraw/zinc/26/09/06/384260906.db2.gz CUEMVRHWWKMKGH-UHFFFAOYSA-N 1 1 230.267 2.192 20 30 BEEDMO CC#CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000158641928 384263422 /nfs/dbraw/zinc/26/34/22/384263422.db2.gz JDAPDEQBRMXYLL-UHFFFAOYSA-N 1 1 239.322 2.327 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000158641928 384263429 /nfs/dbraw/zinc/26/34/29/384263429.db2.gz JDAPDEQBRMXYLL-UHFFFAOYSA-N 1 1 239.322 2.327 20 30 BEEDMO C#CCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000362446637 533054073 /nfs/dbraw/zinc/05/40/73/533054073.db2.gz DSYURJRYWJAJAE-UHFFFAOYSA-N 1 1 221.344 2.435 20 30 BEEDMO C#CC[N@@H+](C[C@@H]1CCOC1)C1CCCCC1 ZINC000490677208 384319374 /nfs/dbraw/zinc/31/93/74/384319374.db2.gz KEJCPONOONOGCR-ZDUSSCGKSA-N 1 1 221.344 2.291 20 30 BEEDMO COc1ccc(C[NH2+]CCC#N)cc1Cl ZINC000083188586 384280473 /nfs/dbraw/zinc/28/04/73/384280473.db2.gz ORSLPPGHNQXCTB-UHFFFAOYSA-N 1 1 224.691 2.352 20 30 BEEDMO C[C@H]1CSCC[N@H+]1CCCSCC#N ZINC000173897629 384284480 /nfs/dbraw/zinc/28/44/80/384284480.db2.gz RHKAQWXVHFJQJO-JTQLQIEISA-N 1 1 230.402 2.071 20 30 BEEDMO C#CC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000490700396 384342399 /nfs/dbraw/zinc/34/23/99/384342399.db2.gz SLXBBHGXCZCXPM-YNEHKIRRSA-N 1 1 221.344 2.145 20 30 BEEDMO C=C(C)CN(CC)C(=O)Cn1cc[nH+]c1CCC ZINC000153549528 384352069 /nfs/dbraw/zinc/35/20/69/384352069.db2.gz WNPGYWCGRDHMAH-UHFFFAOYSA-N 1 1 249.358 2.260 20 30 BEEDMO CCC[C@H](C)C[N@H+](CCC#N)CCOC ZINC000070846137 384354635 /nfs/dbraw/zinc/35/46/35/384354635.db2.gz KKXGHFOESDMGPB-LBPRGKRZSA-N 1 1 212.337 2.285 20 30 BEEDMO C=CCC[N@H+](CC(=O)OCC)C1CCCC1 ZINC000083244131 384366740 /nfs/dbraw/zinc/36/67/40/384366740.db2.gz LDNJTEGAQFGEMD-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO Cc1nc(C)c(C[NH2+]C[C@@H](C)C#N)s1 ZINC000084148972 384369031 /nfs/dbraw/zinc/36/90/31/384369031.db2.gz PHVGAGAGTPRQQF-ZETCQYMHSA-N 1 1 209.318 2.009 20 30 BEEDMO C#CC[N@@H+](CC)CCOc1ccccc1F ZINC000490742269 384370270 /nfs/dbraw/zinc/37/02/70/384370270.db2.gz WEUBBGMQDQFQCB-UHFFFAOYSA-N 1 1 221.275 2.160 20 30 BEEDMO CN(C)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174861561 384372353 /nfs/dbraw/zinc/37/23/53/384372353.db2.gz BTMRGMIYKDAKGH-CYBMUJFWSA-N 1 1 237.391 2.200 20 30 BEEDMO CN(C)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174861561 384372358 /nfs/dbraw/zinc/37/23/58/384372358.db2.gz BTMRGMIYKDAKGH-CYBMUJFWSA-N 1 1 237.391 2.200 20 30 BEEDMO C[N@H+](Cc1ccccc1C#N)[C@H]1CCCOC1 ZINC000335704793 384327621 /nfs/dbraw/zinc/32/76/21/384327621.db2.gz UOZYYDJFUPLKLB-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCOC1 ZINC000335704793 384327628 /nfs/dbraw/zinc/32/76/28/384327628.db2.gz UOZYYDJFUPLKLB-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO C[N@@H+](CCNCc1ccc(C#N)o1)C1CCCC1 ZINC000135178213 384421644 /nfs/dbraw/zinc/42/16/44/384421644.db2.gz QNIGNHWLZBKRMV-UHFFFAOYSA-N 1 1 247.342 2.115 20 30 BEEDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1C#N ZINC000362954051 384380105 /nfs/dbraw/zinc/38/01/05/384380105.db2.gz GEFHKEJUHYIJAJ-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC(C)=O)cc1 ZINC000490854193 384447210 /nfs/dbraw/zinc/44/72/10/384447210.db2.gz YDOVRYFDFBJZTC-UHFFFAOYSA-N 1 1 231.295 2.067 20 30 BEEDMO C=C(CC)C[NH2+]Cc1ccoc1C(=O)OC ZINC000313504627 384434877 /nfs/dbraw/zinc/43/48/77/384434877.db2.gz WGPYQNGLZRJBGC-UHFFFAOYSA-N 1 1 223.272 2.122 20 30 BEEDMO C=C(C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000180434506 384468036 /nfs/dbraw/zinc/46/80/36/384468036.db2.gz MKFAVPAFFLIEFN-UHFFFAOYSA-N 1 1 246.354 2.153 20 30 BEEDMO C=C(C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000180434506 384468040 /nfs/dbraw/zinc/46/80/40/384468040.db2.gz MKFAVPAFFLIEFN-UHFFFAOYSA-N 1 1 246.354 2.153 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cn2)s1 ZINC000344904865 384480387 /nfs/dbraw/zinc/48/03/87/384480387.db2.gz MDNRWEVDHCRBED-UHFFFAOYSA-N 1 1 247.298 2.444 20 30 BEEDMO CCN(CC)[C@@H](C)CNC(=[NH2+])Nc1ccccc1 ZINC000161502308 384498015 /nfs/dbraw/zinc/49/80/15/384498015.db2.gz SQVAKTQBNXESKR-LBPRGKRZSA-N 1 1 248.374 2.144 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)CCn1ccnc1 ZINC000159867999 384507950 /nfs/dbraw/zinc/50/79/50/384507950.db2.gz NRWJXLWEBVRJTB-UHFFFAOYSA-N 1 1 234.347 2.145 20 30 BEEDMO C[C@H]([NH3+])C[C@H](C)NC1(c2cccc(C#N)c2)CC1 ZINC000423022978 384493777 /nfs/dbraw/zinc/49/37/77/384493777.db2.gz GIUIFYUMMYQNCO-RYUDHWBXSA-N 1 1 243.354 2.263 20 30 BEEDMO C[C@H](C[C@H](C)[NH3+])NC1(c2cccc(C#N)c2)CC1 ZINC000423022977 384493820 /nfs/dbraw/zinc/49/38/20/384493820.db2.gz GIUIFYUMMYQNCO-NWDGAFQWSA-N 1 1 243.354 2.263 20 30 BEEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NC1CC1 ZINC000150902451 384522545 /nfs/dbraw/zinc/52/25/45/384522545.db2.gz GUFQLQIKSPYPQR-LBPRGKRZSA-N 1 1 238.375 2.332 20 30 BEEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000049237704 384523261 /nfs/dbraw/zinc/52/32/61/384523261.db2.gz ZRWSOSWMPZKIIO-MRVPVSSYSA-N 1 1 242.348 2.247 20 30 BEEDMO C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280218 384529129 /nfs/dbraw/zinc/52/91/29/384529129.db2.gz SMHWFXZHIRKBGJ-XPTSAGLGSA-N 1 1 247.317 2.085 20 30 BEEDMO C=C(CNC1CC[NH+](C)CC1)c1ccccc1 ZINC000147651948 384530800 /nfs/dbraw/zinc/53/08/00/384530800.db2.gz LPMVDQLSLTWHSQ-UHFFFAOYSA-N 1 1 230.355 2.384 20 30 BEEDMO C=CCC[NH2+][C@@H](C(=O)OCC)[C@@H](C)CC ZINC000183592720 384549106 /nfs/dbraw/zinc/54/91/06/384549106.db2.gz YWEYZZUXLNZTPD-WDEREUQCSA-N 1 1 213.321 2.130 20 30 BEEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000564699622 384557848 /nfs/dbraw/zinc/55/78/48/384557848.db2.gz QFVWGFITSCBKCO-MNOVXSKESA-N 1 1 247.367 2.279 20 30 BEEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000564699622 384557851 /nfs/dbraw/zinc/55/78/51/384557851.db2.gz QFVWGFITSCBKCO-MNOVXSKESA-N 1 1 247.367 2.279 20 30 BEEDMO C#CC[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000491761913 384581934 /nfs/dbraw/zinc/58/19/34/384581934.db2.gz XZCBEZJLPYJXSJ-UHFFFAOYSA-N 1 1 245.322 2.301 20 30 BEEDMO C#CC[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000491761913 384581940 /nfs/dbraw/zinc/58/19/40/384581940.db2.gz XZCBEZJLPYJXSJ-UHFFFAOYSA-N 1 1 245.322 2.301 20 30 BEEDMO C=CCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000117878001 384606083 /nfs/dbraw/zinc/60/60/83/384606083.db2.gz FUNUOAZSIHFXFH-ZDUSSCGKSA-N 1 1 208.349 2.123 20 30 BEEDMO C=CCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000117878001 384606091 /nfs/dbraw/zinc/60/60/91/384606091.db2.gz FUNUOAZSIHFXFH-ZDUSSCGKSA-N 1 1 208.349 2.123 20 30 BEEDMO CC(C)O[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000564916612 384601838 /nfs/dbraw/zinc/60/18/38/384601838.db2.gz PVZGZDVKSLVTJU-GFCCVEGCSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000565320118 384635833 /nfs/dbraw/zinc/63/58/33/384635833.db2.gz LUEFIYZXIDQMGK-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000565320118 384635837 /nfs/dbraw/zinc/63/58/37/384635837.db2.gz LUEFIYZXIDQMGK-HNNXBMFYSA-N 1 1 243.354 2.084 20 30 BEEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C#N ZINC000556958005 384686084 /nfs/dbraw/zinc/68/60/84/384686084.db2.gz BFPLPDOHHAEZOU-OAHLLOKOSA-N 1 1 243.354 2.084 20 30 BEEDMO C=C(C)C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000171963236 384690021 /nfs/dbraw/zinc/69/00/21/384690021.db2.gz KYAJWICOYNJQNT-UHFFFAOYSA-N 1 1 230.311 2.445 20 30 BEEDMO CC#CCC[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000155696664 384745022 /nfs/dbraw/zinc/74/50/22/384745022.db2.gz BDTXLLZEEWPQBV-HNNXBMFYSA-N 1 1 247.338 2.074 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000491408946 384745496 /nfs/dbraw/zinc/74/54/96/384745496.db2.gz XWFQFCWQFWUODM-UWVGGRQHSA-N 1 1 201.260 2.375 20 30 BEEDMO C=CCCCC[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000518156667 384748832 /nfs/dbraw/zinc/74/88/32/384748832.db2.gz LZJZZLFJFADUGT-QWHCGFSZSA-N 1 1 211.349 2.293 20 30 BEEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335990400 384748993 /nfs/dbraw/zinc/74/89/93/384748993.db2.gz CRLQHUJZCRQGTN-HNNXBMFYSA-N 1 1 244.338 2.099 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000491810625 384825448 /nfs/dbraw/zinc/82/54/48/384825448.db2.gz JNJMRFDBEYYOIP-JTQLQIEISA-N 1 1 247.729 2.489 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000648203684 384834894 /nfs/dbraw/zinc/83/48/94/384834894.db2.gz QZAKFJCFIKNPIH-GFCCVEGCSA-N 1 1 238.375 2.045 20 30 BEEDMO CCc1noc(C)c1C[NH+]1CCC(C#N)CC1 ZINC000163271430 384785516 /nfs/dbraw/zinc/78/55/16/384785516.db2.gz QWPMMCXCJBKJDL-UHFFFAOYSA-N 1 1 233.315 2.281 20 30 BEEDMO C=C(C)C[N@@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190620806 384800892 /nfs/dbraw/zinc/80/08/92/384800892.db2.gz RDJXVWPKHAUWAV-GFCCVEGCSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(C)C[N@H+]([C@H](CC)C(=O)OCC)C1CC1 ZINC000190620806 384800896 /nfs/dbraw/zinc/80/08/96/384800896.db2.gz RDJXVWPKHAUWAV-GFCCVEGCSA-N 1 1 225.332 2.369 20 30 BEEDMO CC[C@H](CC#N)[NH2+]C/C=C\c1ccncc1 ZINC000310037406 384803881 /nfs/dbraw/zinc/80/38/81/384803881.db2.gz VCFLBLPYOSCTOY-DHCBQETCSA-N 1 1 215.300 2.377 20 30 BEEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000156146672 384807650 /nfs/dbraw/zinc/80/76/50/384807650.db2.gz DTKMTOUUSHRYRK-UHFFFAOYSA-N 1 1 203.260 2.271 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(F)cc1 ZINC000105605210 384874456 /nfs/dbraw/zinc/87/44/56/384874456.db2.gz WDCVGXNOZTXNOE-UHFFFAOYSA-N 1 1 210.252 2.415 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nccnc1OC ZINC000449285595 384842972 /nfs/dbraw/zinc/84/29/72/384842972.db2.gz FFDKBQWKCFRWMQ-LLVKDONJSA-N 1 1 233.315 2.026 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nccnc1OC ZINC000449285595 384842978 /nfs/dbraw/zinc/84/29/78/384842978.db2.gz FFDKBQWKCFRWMQ-LLVKDONJSA-N 1 1 233.315 2.026 20 30 BEEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335205775 384853195 /nfs/dbraw/zinc/85/31/95/384853195.db2.gz NFTBHAYECWIWJB-AWEZNQCLSA-N 1 1 244.338 2.098 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000491440298 384857578 /nfs/dbraw/zinc/85/75/78/384857578.db2.gz OICADSWUYRAEOI-NSHDSACASA-N 1 1 228.295 2.020 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCCC1 ZINC000053436434 384859019 /nfs/dbraw/zinc/85/90/19/384859019.db2.gz GREVGOUFUKXIAG-UHFFFAOYSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000297807181 384956185 /nfs/dbraw/zinc/95/61/85/384956185.db2.gz IGIRRWPWYVTTMO-CYBMUJFWSA-N 1 1 246.354 2.151 20 30 BEEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000297807181 384956193 /nfs/dbraw/zinc/95/61/93/384956193.db2.gz IGIRRWPWYVTTMO-CYBMUJFWSA-N 1 1 246.354 2.151 20 30 BEEDMO C=CCCCCC[N@H+](C)CCNC(=O)C(C)C ZINC000193461843 384957857 /nfs/dbraw/zinc/95/78/57/384957857.db2.gz HJIJGHPZGXIIMX-UHFFFAOYSA-N 1 1 240.391 2.437 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc2c[nH]nc21 ZINC000358283023 384896629 /nfs/dbraw/zinc/89/66/29/384896629.db2.gz FACRFJJLFKUIMT-GFCCVEGCSA-N 1 1 228.299 2.345 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101910799 384897291 /nfs/dbraw/zinc/89/72/91/384897291.db2.gz MZZNBLHHXAKHQR-ZDUSSCGKSA-N 1 1 238.375 2.047 20 30 BEEDMO C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(C#N)cc1 ZINC000054764489 384898720 /nfs/dbraw/zinc/89/87/20/384898720.db2.gz ZYUXVBYXNQYUCN-SNVBAGLBSA-N 1 1 226.283 2.132 20 30 BEEDMO C#CC[N@@H+](CCc1cn[nH]c1)Cc1ccccc1 ZINC000297725254 384900463 /nfs/dbraw/zinc/90/04/63/384900463.db2.gz SBSKOBQOOJLUNS-UHFFFAOYSA-N 1 1 239.322 2.088 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000306419199 384930244 /nfs/dbraw/zinc/93/02/44/384930244.db2.gz VCJDKNWUWYXVNX-JTQLQIEISA-N 1 1 203.713 2.240 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cc(OC)ccn1 ZINC000106933521 384945645 /nfs/dbraw/zinc/94/56/45/384945645.db2.gz PWAYOADAMLXXEG-UHFFFAOYSA-N 1 1 218.300 2.264 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000258833083 384947216 /nfs/dbraw/zinc/94/72/16/384947216.db2.gz DHNBKSFJJCXMAQ-UHFFFAOYSA-N 1 1 222.238 2.358 20 30 BEEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000178300715 384964668 /nfs/dbraw/zinc/96/46/68/384964668.db2.gz PZQAAKYFSMIMJY-HNNXBMFYSA-N 1 1 244.338 2.464 20 30 BEEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOCCC#N ZINC000339063495 384969812 /nfs/dbraw/zinc/96/98/12/384969812.db2.gz YHHPWWPXILXBCU-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO COC(=O)[C@@H]([NH2+]CCCC(C)(C)C#N)C(C)C ZINC000087597301 384979836 /nfs/dbraw/zinc/97/98/36/384979836.db2.gz VIJAWAZVJAOJEX-NSHDSACASA-N 1 1 240.347 2.104 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000193567402 384987773 /nfs/dbraw/zinc/98/77/73/384987773.db2.gz YUBPFISSJPNNIZ-STQMWFEESA-N 1 1 238.375 2.319 20 30 BEEDMO CC(C)OC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000530686414 385014539 /nfs/dbraw/zinc/01/45/39/385014539.db2.gz CIBFPCJMQCTMIW-ZDUSSCGKSA-N 1 1 249.358 2.319 20 30 BEEDMO COCC#CC[N@@H+](C)Cc1cccc(C)c1C ZINC000644704810 385121169 /nfs/dbraw/zinc/12/11/69/385121169.db2.gz TZIVJFTUIUBQAR-UHFFFAOYSA-N 1 1 231.339 2.385 20 30 BEEDMO C=CCC[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000353124801 385129860 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385769574 /nfs/dbraw/zinc/76/95/74/385769574.db2.gz BJLFJJZZUZYKOM-OCCSQVGLSA-N 1 1 221.344 2.432 20 30 BEEDMO Cc1cc(CNC(C)(C)C[NH+](C)C)ccc1C#N ZINC000453625317 385771954 /nfs/dbraw/zinc/77/19/54/385771954.db2.gz ROSBSDQEQDPNTO-UHFFFAOYSA-N 1 1 245.370 2.297 20 30 BEEDMO C=CCCC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC000309665354 385777301 /nfs/dbraw/zinc/77/73/01/385777301.db2.gz SZXDPEIUZIXKTQ-CMPLNLGQSA-N 1 1 225.332 2.272 20 30 BEEDMO COC1(CC[N@@H+](C)C[C@H](C)C#N)CCC1 ZINC000336654343 385726162 /nfs/dbraw/zinc/72/61/62/385726162.db2.gz GUVYSCDJNIGPQM-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO N#CC1CCC([NH2+]C[C@H]2CCN(C3CC3)C2)CC1 ZINC000602508583 385802818 /nfs/dbraw/zinc/80/28/18/385802818.db2.gz CKLFSZOGEMYCEF-ROKHWSDSSA-N 1 1 247.386 2.143 20 30 BEEDMO N#CCC1(C[N@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000602852394 385826275 /nfs/dbraw/zinc/82/62/75/385826275.db2.gz QKBSBMJUBFCNGS-ZDUSSCGKSA-N 1 1 234.343 2.181 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451421345 385827717 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/nfs/dbraw/zinc/68/52/82/386685282.db2.gz VTUBQCGMLVEULJ-CQSZACIVSA-N 1 1 246.354 2.045 20 30 BEEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C1 ZINC000042545639 386685292 /nfs/dbraw/zinc/68/52/92/386685292.db2.gz VTUBQCGMLVEULJ-CQSZACIVSA-N 1 1 246.354 2.045 20 30 BEEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000520575173 386700739 /nfs/dbraw/zinc/70/07/39/386700739.db2.gz DKRPLOWVVNVXTC-OLZOCXBDSA-N 1 1 209.333 2.454 20 30 BEEDMO C=CCOCC[N@H+](CC)Cc1ccoc1 ZINC000645082731 386704944 /nfs/dbraw/zinc/70/49/44/386704944.db2.gz ORFMFTBLBHAVHH-UHFFFAOYSA-N 1 1 209.289 2.304 20 30 BEEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000088077763 386764479 /nfs/dbraw/zinc/76/44/79/386764479.db2.gz DGIFAMLKXCPUHP-UHFFFAOYSA-N 1 1 244.338 2.417 20 30 BEEDMO C=CCN(CC=C)CC[C@@H]1CCC[N@@H+]1C ZINC000125197291 386773488 /nfs/dbraw/zinc/77/34/88/386773488.db2.gz PRWMIFWXWWEFGZ-ZDUSSCGKSA-N 1 1 208.349 2.145 20 30 BEEDMO C=CCN(CC=C)CC[C@H]1CCC[N@@H+]1C ZINC000125197062 386773803 /nfs/dbraw/zinc/77/38/03/386773803.db2.gz PRWMIFWXWWEFGZ-CYBMUJFWSA-N 1 1 208.349 2.145 20 30 BEEDMO CC1(C)C[C@@H](O)CC[N@@H+](CCCCC#N)C1 ZINC000395302990 386807978 /nfs/dbraw/zinc/80/79/78/386807978.db2.gz BKRYBULAAMKJGN-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCCN1 ZINC000395185322 386967340 /nfs/dbraw/zinc/96/73/40/386967340.db2.gz XUEKARAPEHBPOM-NWDGAFQWSA-N 1 1 210.365 2.319 20 30 BEEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000130290777 387073181 /nfs/dbraw/zinc/07/31/81/387073181.db2.gz VTXUGBNQXODRCB-SNVBAGLBSA-N 1 1 236.340 2.231 20 30 BEEDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)CCC#N ZINC000425971992 387100515 /nfs/dbraw/zinc/10/05/15/387100515.db2.gz URMQIKKZZYEIEW-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186644070 387119190 /nfs/dbraw/zinc/11/91/90/387119190.db2.gz GLTZZHRSPXBAIB-CQSZACIVSA-N 1 1 215.296 2.304 20 30 BEEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCOC1 ZINC000121679031 387143575 /nfs/dbraw/zinc/14/35/75/387143575.db2.gz VGHTWBWXJLKIGA-LBPRGKRZSA-N 1 1 248.301 2.166 20 30 BEEDMO Cc1ccc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418137424 387174405 /nfs/dbraw/zinc/17/44/05/387174405.db2.gz DUAYOJAPOBQCEQ-UHFFFAOYSA-N 1 1 215.300 2.174 20 30 BEEDMO C[N@@H+](CCCC#N)CC1(O)CCCCCC1 ZINC000187353003 387182184 /nfs/dbraw/zinc/18/21/84/387182184.db2.gz WXQJTOBUKHVFAH-UHFFFAOYSA-N 1 1 224.348 2.307 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000571851691 387186124 /nfs/dbraw/zinc/18/61/24/387186124.db2.gz CMNNAQVVNQAZLR-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121673812 387140359 /nfs/dbraw/zinc/14/03/59/387140359.db2.gz KFAPEHKXAICKBG-CYBMUJFWSA-N 1 1 248.301 2.308 20 30 BEEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187825611 387214596 /nfs/dbraw/zinc/21/45/96/387214596.db2.gz RMQQIXKZMBIOOP-MJVIPROJSA-N 1 1 217.378 2.040 20 30 BEEDMO C=C(C)CC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433190920 387223559 /nfs/dbraw/zinc/22/35/59/387223559.db2.gz XTXLRXDLRDAAQU-LBPRGKRZSA-N 1 1 229.389 2.143 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000424645140 387231928 /nfs/dbraw/zinc/23/19/28/387231928.db2.gz OKJOVPIFTOFGKG-GFCCVEGCSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000572119184 387239430 /nfs/dbraw/zinc/23/94/30/387239430.db2.gz XWWDXSNAZNWAHC-GJZGRUSLSA-N 1 1 246.354 2.198 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)CCC ZINC000424696824 387251629 /nfs/dbraw/zinc/25/16/29/387251629.db2.gz ACBOSBLDECJDQU-UHFFFAOYSA-N 1 1 240.391 2.437 20 30 BEEDMO CC(C)(C)c1nc(CC[NH2+]CCC#N)cs1 ZINC000514933095 387316886 /nfs/dbraw/zinc/31/68/86/387316886.db2.gz NXUPIAIUDQMKRW-UHFFFAOYSA-N 1 1 237.372 2.486 20 30 BEEDMO C=C(C)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314890001 387301544 /nfs/dbraw/zinc/30/15/44/387301544.db2.gz BJPKGEUAWYRMEE-MRVPVSSYSA-N 1 1 240.328 2.156 20 30 BEEDMO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCCNC1 ZINC000423566306 387377567 /nfs/dbraw/zinc/37/75/67/387377567.db2.gz UBOWJBCCVHMANN-CHWSQXEVSA-N 1 1 210.365 2.463 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[C@H]1O ZINC000270096610 387332064 /nfs/dbraw/zinc/33/20/64/387332064.db2.gz KRZYRPLZYREFDP-LSDHHAIUSA-N 1 1 244.338 2.151 20 30 BEEDMO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525951176 387335097 /nfs/dbraw/zinc/33/50/97/387335097.db2.gz CQSMVVUHOOPKIS-GXTWGEPZSA-N 1 1 238.375 2.047 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000515131175 387338362 /nfs/dbraw/zinc/33/83/62/387338362.db2.gz NBEVFPKOLLCQHB-CYBMUJFWSA-N 1 1 246.310 2.255 20 30 BEEDMO C=C1CC[NH+](Cc2ccnn2CC)CC1 ZINC000271171908 387440609 /nfs/dbraw/zinc/44/06/09/387440609.db2.gz QQHBUALUVOAUOR-UHFFFAOYSA-N 1 1 205.305 2.055 20 30 BEEDMO COc1cc(C)c(C[NH2+]CC2(C#N)CC2)c(C)n1 ZINC000572436633 387441897 /nfs/dbraw/zinc/44/18/97/387441897.db2.gz XZJKGIAUHXGPMZ-UHFFFAOYSA-N 1 1 245.326 2.100 20 30 BEEDMO CC[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191440979 387401851 /nfs/dbraw/zinc/40/18/51/387401851.db2.gz CJDRFOPSGUHHOY-NSHDSACASA-N 1 1 217.316 2.129 20 30 BEEDMO C#CC[N@@H+](CC)CCCCCn1cccn1 ZINC000266969714 387406880 /nfs/dbraw/zinc/40/68/80/387406880.db2.gz ZSCHASQRQJSDRG-UHFFFAOYSA-N 1 1 219.332 2.009 20 30 BEEDMO Cn1cc(C[N@@H+](C)CCC2CC2)cc1C#N ZINC000191449180 387407628 /nfs/dbraw/zinc/40/76/28/387407628.db2.gz QMVLLUXMVTVNEN-UHFFFAOYSA-N 1 1 217.316 2.129 20 30 BEEDMO CSCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000152397359 387421238 /nfs/dbraw/zinc/42/12/38/387421238.db2.gz BQEAOEPHFXDXNW-UHFFFAOYSA-N 1 1 238.331 2.492 20 30 BEEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCC[C@H]1O ZINC000270132268 387495641 /nfs/dbraw/zinc/49/56/41/387495641.db2.gz OSOGVGVIUIGYFC-HUUCEWRRSA-N 1 1 244.338 2.151 20 30 BEEDMO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000425281449 387522851 /nfs/dbraw/zinc/52/28/51/387522851.db2.gz LVNHTKSFQHXVSF-CABZTGNLSA-N 1 1 238.718 2.160 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000527191508 387524387 /nfs/dbraw/zinc/52/43/87/387524387.db2.gz ADUMPSROUPFHKA-JSGCOSHPSA-N 1 1 238.375 2.047 20 30 BEEDMO CC[N@H+](CC#Cc1ccccc1)CCOC ZINC000276824979 387526036 /nfs/dbraw/zinc/52/60/36/387526036.db2.gz QBEOEOZCDMAPAU-UHFFFAOYSA-N 1 1 217.312 2.006 20 30 BEEDMO C=CC[N@H+](C[C@@H](C)O)CC1CCCCC1 ZINC000192719055 387526373 /nfs/dbraw/zinc/52/63/73/387526373.db2.gz ARIPCQFTSNNZDG-GFCCVEGCSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(CC)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000425924966 387533397 /nfs/dbraw/zinc/53/33/97/387533397.db2.gz UQLOZYYJZLYQEJ-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417970717 387538731 /nfs/dbraw/zinc/53/87/31/387538731.db2.gz QSCOJQJHALIXQE-UHFFFAOYSA-N 1 1 246.354 2.396 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000274799380 387491465 /nfs/dbraw/zinc/49/14/65/387491465.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000274799380 387491468 /nfs/dbraw/zinc/49/14/68/387491468.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000274799380 387491470 /nfs/dbraw/zinc/49/14/70/387491470.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000274799380 387491473 /nfs/dbraw/zinc/49/14/73/387491473.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 1 234.347 2.259 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000274799380 387491476 /nfs/dbraw/zinc/49/14/76/387491476.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 1 234.347 2.259 20 30 BEEDMO CC[N@H+](CCc1ccccn1)C[C@@H](C)C#N ZINC000042449745 387629098 /nfs/dbraw/zinc/62/90/98/387629098.db2.gz JNIYOKHKOCGESD-LBPRGKRZSA-N 1 1 217.316 2.106 20 30 BEEDMO CC[N@@H+](CCc1ccccn1)C[C@@H](C)C#N ZINC000042449745 387629104 /nfs/dbraw/zinc/62/91/04/387629104.db2.gz JNIYOKHKOCGESD-LBPRGKRZSA-N 1 1 217.316 2.106 20 30 BEEDMO C[N@@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356049482 387610587 /nfs/dbraw/zinc/61/05/87/387610587.db2.gz DHLIWNGRFNHEAV-UHFFFAOYSA-N 1 1 221.329 2.247 20 30 BEEDMO C[N@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356049482 387610591 /nfs/dbraw/zinc/61/05/91/387610591.db2.gz DHLIWNGRFNHEAV-UHFFFAOYSA-N 1 1 221.329 2.247 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C(C)(C)C ZINC000283893216 387576465 /nfs/dbraw/zinc/57/64/65/387576465.db2.gz FGQQZHLUUIMRPA-CQSZACIVSA-N 1 1 246.354 2.397 20 30 BEEDMO C=C(CC)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362594306 387638481 /nfs/dbraw/zinc/63/84/81/387638481.db2.gz RVTXTAVCOBYRMN-NSHDSACASA-N 1 1 226.364 2.188 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451896089 387672466 /nfs/dbraw/zinc/67/24/66/387672466.db2.gz UKDINEXWBWHWEY-UWVGGRQHSA-N 1 1 237.265 2.198 20 30 BEEDMO C=CCCC[N@H+](C)CC1(CC(=O)OC)CC1 ZINC000440799628 387706275 /nfs/dbraw/zinc/70/62/75/387706275.db2.gz UQVPHMSTDHPQLH-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000353223518 387762121 /nfs/dbraw/zinc/76/21/21/387762121.db2.gz WSOWRVHIYPWRLP-GFCCVEGCSA-N 1 1 232.327 2.333 20 30 BEEDMO C=CCOc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422908194 387769185 /nfs/dbraw/zinc/76/91/85/387769185.db2.gz MDBOMLXNRUBRIO-QWHCGFSZSA-N 1 1 248.370 2.467 20 30 BEEDMO C=CCCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441647341 387773738 /nfs/dbraw/zinc/77/37/38/387773738.db2.gz NABOSAJBZJHEQZ-STQMWFEESA-N 1 1 209.333 2.311 20 30 BEEDMO C[N@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000049812187 387787210 /nfs/dbraw/zinc/78/72/10/387787210.db2.gz MCRHPQBJQPHOFN-UHFFFAOYSA-N 1 1 200.285 2.422 20 30 BEEDMO C[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000049812187 387787213 /nfs/dbraw/zinc/78/72/13/387787213.db2.gz MCRHPQBJQPHOFN-UHFFFAOYSA-N 1 1 200.285 2.422 20 30 BEEDMO CS[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000294390019 387791594 /nfs/dbraw/zinc/79/15/94/387791594.db2.gz JPXUWMJMVYPKFQ-ZDUSSCGKSA-N 1 1 232.352 2.496 20 30 BEEDMO C=CCCCCC[N@H+](C)CC1(O)CCOCC1 ZINC000151234931 387809285 /nfs/dbraw/zinc/80/92/85/387809285.db2.gz WWFNOPBGRAKHQV-UHFFFAOYSA-N 1 1 241.375 2.206 20 30 BEEDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000295111365 387834078 /nfs/dbraw/zinc/83/40/78/387834078.db2.gz LSIDLBGACDLLAU-CYBMUJFWSA-N 1 1 234.299 2.010 20 30 BEEDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442785948 387840114 /nfs/dbraw/zinc/84/01/14/387840114.db2.gz WLTPOTHJAAPORC-RRFJBIMHSA-N 1 1 249.402 2.389 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000442807620 387846376 /nfs/dbraw/zinc/84/63/76/387846376.db2.gz FICDPPGVHXOWKI-MBNYWOFBSA-N 1 1 238.375 2.140 20 30 BEEDMO C=C(C)C[N@@H+](C)CCc1ccncc1C ZINC000645847869 387857251 /nfs/dbraw/zinc/85/72/51/387857251.db2.gz MZTXECGKASYISV-UHFFFAOYSA-N 1 1 204.317 2.440 20 30 BEEDMO C=CCn1cc(C[NH2+]Cc2sccc2C)nn1 ZINC000424172129 387865446 /nfs/dbraw/zinc/86/54/46/387865446.db2.gz NIPHOWKZJDPSIK-UHFFFAOYSA-N 1 1 248.355 2.124 20 30 BEEDMO COC(=O)C(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000444620945 387892891 /nfs/dbraw/zinc/89/28/91/387892891.db2.gz AMLJTXDYSRIPTG-UHFFFAOYSA-N 1 1 240.347 2.248 20 30 BEEDMO C=C(C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000452720429 387898139 /nfs/dbraw/zinc/89/81/39/387898139.db2.gz WVBCMRHADIWJGM-AWEZNQCLSA-N 1 1 246.354 2.372 20 30 BEEDMO C[C@@H](NCC(C)(C)CCC#N)[C@@H]1CCC[NH2+]1 ZINC000423136053 387914903 /nfs/dbraw/zinc/91/49/03/387914903.db2.gz YSHVDOVXCSDGSQ-NEPJUHHUSA-N 1 1 223.364 2.046 20 30 BEEDMO C=CC[C@H]1[N@H+](CCOCCO)CCCC1(C)C ZINC000444781191 387929702 /nfs/dbraw/zinc/92/97/02/387929702.db2.gz GIGSKKBQECLACG-CYBMUJFWSA-N 1 1 241.375 2.062 20 30 BEEDMO C=CC(C)(C)C[NH2+][C@@H]1CCCCC[C@@H]1N ZINC000423155103 387934993 /nfs/dbraw/zinc/93/49/93/387934993.db2.gz PYGAGVQGGKRVIA-NWDGAFQWSA-N 1 1 210.365 2.448 20 30 BEEDMO C=CC(C)(C)C[NH2+][C@H]1CCCCC[C@@H]1N ZINC000423155104 387935371 /nfs/dbraw/zinc/93/53/71/387935371.db2.gz PYGAGVQGGKRVIA-RYUDHWBXSA-N 1 1 210.365 2.448 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000452784837 387920410 /nfs/dbraw/zinc/92/04/10/387920410.db2.gz PXXHSJFKQGBNHV-LLVKDONJSA-N 1 1 247.342 2.089 20 30 BEEDMO C=CCCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000245385312 387942321 /nfs/dbraw/zinc/94/23/21/387942321.db2.gz BRWKTONEZQEHCM-QWHCGFSZSA-N 1 1 238.375 2.189 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H](C)O ZINC000249093959 387945675 /nfs/dbraw/zinc/94/56/75/387945675.db2.gz FAXKFGQFNLUCIT-NWDGAFQWSA-N 1 1 232.327 2.322 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CC)CSC ZINC000245577146 387961757 /nfs/dbraw/zinc/96/17/57/387961757.db2.gz FKVOYXCANRUZLB-RYUDHWBXSA-N 1 1 231.405 2.387 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)CC[C@H](C)O ZINC000438976935 387966897 /nfs/dbraw/zinc/96/68/97/387966897.db2.gz JMOPANRZKKTILI-LBPRGKRZSA-N 1 1 212.337 2.019 20 30 BEEDMO CC(C)(C)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000424337986 387980969 /nfs/dbraw/zinc/98/09/69/387980969.db2.gz MGSNWSNGUOHCLU-QMMMGPOBSA-N 1 1 222.292 2.061 20 30 BEEDMO CC(C)(CCC#N)C[NH2+]Cc1noc(C2CC2)n1 ZINC000439242719 387985813 /nfs/dbraw/zinc/98/58/13/387985813.db2.gz AIHDKMPJVWNGNJ-UHFFFAOYSA-N 1 1 248.330 2.367 20 30 BEEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1N ZINC000424374483 387998742 /nfs/dbraw/zinc/99/87/42/387998742.db2.gz LFNGDFFOUOYEQE-UMSGYPCISA-N 1 1 210.365 2.447 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)CC(C)(C)O ZINC000081745427 388011126 /nfs/dbraw/zinc/01/11/26/388011126.db2.gz QIZDCAHLWINICK-UHFFFAOYSA-N 1 1 212.337 2.019 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)CC(=C)Cl ZINC001645453888 1172670065 /nfs/dbraw/zinc/67/00/65/1172670065.db2.gz UGCCMAIRCGCAJV-UHFFFAOYSA-N 1 1 216.756 2.179 20 30 BEEDMO CCn1ccnc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000453221200 388014003 /nfs/dbraw/zinc/01/40/03/388014003.db2.gz ROSQHABQRDULAH-LLVKDONJSA-N 1 1 232.331 2.247 20 30 BEEDMO CC(C)[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000446725572 388033312 /nfs/dbraw/zinc/03/33/12/388033312.db2.gz KDNMRPCXLSYXKB-CHWSQXEVSA-N 1 1 219.332 2.408 20 30 BEEDMO Cc1noc(C)c1C[NH+]1CCC(C#N)CC1 ZINC000057907343 388051133 /nfs/dbraw/zinc/05/11/33/388051133.db2.gz GPXQUGIXHVNETL-UHFFFAOYSA-N 1 1 219.288 2.027 20 30 BEEDMO CC[N@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000160365571 388060033 /nfs/dbraw/zinc/06/00/33/388060033.db2.gz MFLVIMLTQQBNGP-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000160365571 388060035 /nfs/dbraw/zinc/06/00/35/388060035.db2.gz MFLVIMLTQQBNGP-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000447835997 388096476 /nfs/dbraw/zinc/09/64/76/388096476.db2.gz VUPBZODKCRBDQB-QWHCGFSZSA-N 1 1 241.375 2.060 20 30 BEEDMO C=CC[N@@H+](C1CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000447888345 388098888 /nfs/dbraw/zinc/09/88/88/388098888.db2.gz JOSJJUPDMMCSTD-ZDUSSCGKSA-N 1 1 236.359 2.036 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000424545017 388113188 /nfs/dbraw/zinc/11/31/88/388113188.db2.gz PRZXEVPRDAEQLW-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)nnn1CC ZINC000449288086 388168010 /nfs/dbraw/zinc/16/80/10/388168010.db2.gz MHTBMVWHDAHIBC-LBPRGKRZSA-N 1 1 234.347 2.147 20 30 BEEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CC)CO)cc1 ZINC000449378496 388188216 /nfs/dbraw/zinc/18/82/16/388188216.db2.gz WZQFHWOWGDZJSB-CQSZACIVSA-N 1 1 249.354 2.454 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000456121326 388179959 /nfs/dbraw/zinc/17/99/59/388179959.db2.gz XERDIDNNRXYFJX-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000448953197 388122992 /nfs/dbraw/zinc/12/29/92/388122992.db2.gz HLOQOGSKQSUDHA-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCOCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646097515 388142760 /nfs/dbraw/zinc/14/27/60/388142760.db2.gz XBNMOTJMQNHVJA-CYBMUJFWSA-N 1 1 239.359 2.080 20 30 BEEDMO C=CCC[C@@H]([NH2+]C1CCCC1)C(=O)OCC ZINC000449658871 388249804 /nfs/dbraw/zinc/24/98/04/388249804.db2.gz UWYSBWSJFSZHPQ-GFCCVEGCSA-N 1 1 225.332 2.417 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCc1ccc(C)nc1 ZINC000490740070 388251903 /nfs/dbraw/zinc/25/19/03/388251903.db2.gz MFYNBHMISSBEGW-CYBMUJFWSA-N 1 1 216.328 2.276 20 30 BEEDMO C#CC[N@@H+](Cc1ccno1)C1CCCCC1 ZINC000490840542 388256005 /nfs/dbraw/zinc/25/60/05/388256005.db2.gz OPCWXXLKWKWFBA-UHFFFAOYSA-N 1 1 218.300 2.443 20 30 BEEDMO C#CC[N@H+](Cc1cn(C)nc1C)C1CCCCC1 ZINC000490898983 388258853 /nfs/dbraw/zinc/25/88/53/388258853.db2.gz MVOVJGIQFQBKPN-UHFFFAOYSA-N 1 1 245.370 2.496 20 30 BEEDMO C=CCCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489377835 388209719 /nfs/dbraw/zinc/20/97/19/388209719.db2.gz SJZQLDZGZCANIB-CYBMUJFWSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CCCCC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489377838 388210032 /nfs/dbraw/zinc/21/00/32/388210032.db2.gz SJZQLDZGZCANIB-ZDUSSCGKSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCC1 ZINC000489450012 388214570 /nfs/dbraw/zinc/21/45/70/388214570.db2.gz VRBCTNQGXRJXNZ-ZDUSSCGKSA-N 1 1 236.359 2.086 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CCCC1 ZINC000489450012 388214572 /nfs/dbraw/zinc/21/45/72/388214572.db2.gz VRBCTNQGXRJXNZ-ZDUSSCGKSA-N 1 1 236.359 2.086 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC(F)(F)F ZINC000489473926 388216976 /nfs/dbraw/zinc/21/69/76/388216976.db2.gz JKTQILVOGFBIFX-ZJUUUORDSA-N 1 1 237.265 2.340 20 30 BEEDMO C=C(CC)C[N@@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000489470574 388217004 /nfs/dbraw/zinc/21/70/04/388217004.db2.gz GBSUHAWUZPFRKL-STQMWFEESA-N 1 1 227.348 2.078 20 30 BEEDMO C=CCOc1cccc(CNC[C@H](C)[NH+](C)C)c1 ZINC000449558597 388231727 /nfs/dbraw/zinc/23/17/27/388231727.db2.gz YIQHLYRCUVPWOZ-ZDUSSCGKSA-N 1 1 248.370 2.291 20 30 BEEDMO C[C@@H]([NH2+]CCCN(C)C)c1cccc(C#N)c1 ZINC000037213738 388237885 /nfs/dbraw/zinc/23/78/85/388237885.db2.gz RDFPJLYNVOOESP-GFCCVEGCSA-N 1 1 231.343 2.161 20 30 BEEDMO C[C@@H](NCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000037228741 388238354 /nfs/dbraw/zinc/23/83/54/388238354.db2.gz SFPBOKHRFDPWRI-CYBMUJFWSA-N 1 1 243.354 2.305 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000490606395 388242665 /nfs/dbraw/zinc/24/26/65/388242665.db2.gz ZCIIGXDHXXHBLU-UHFFFAOYSA-N 1 1 217.312 2.377 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451572080 388282476 /nfs/dbraw/zinc/28/24/76/388282476.db2.gz XCALRXHWCODAQZ-STQMWFEESA-N 1 1 241.375 2.060 20 30 BEEDMO C#CC[N@H+](C)CCO[C@@H]1CCCC[C@H]1C ZINC000491316777 388284919 /nfs/dbraw/zinc/28/49/19/388284919.db2.gz XRRAEQXFKMGWON-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000491327164 388285359 /nfs/dbraw/zinc/28/53/59/388285359.db2.gz UBNMKZHZBKQQKH-NSHDSACASA-N 1 1 233.311 2.157 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000491327164 388285360 /nfs/dbraw/zinc/28/53/60/388285360.db2.gz UBNMKZHZBKQQKH-NSHDSACASA-N 1 1 233.311 2.157 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000491327163 388285655 /nfs/dbraw/zinc/28/56/55/388285655.db2.gz UBNMKZHZBKQQKH-LLVKDONJSA-N 1 1 233.311 2.157 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000491327163 388285656 /nfs/dbraw/zinc/28/56/56/388285656.db2.gz UBNMKZHZBKQQKH-LLVKDONJSA-N 1 1 233.311 2.157 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000491327667 388285748 /nfs/dbraw/zinc/28/57/48/388285748.db2.gz XMMWVQKFBPOJST-CYBMUJFWSA-N 1 1 242.322 2.281 20 30 BEEDMO C#C[C@@H](C)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000491370964 388289384 /nfs/dbraw/zinc/28/93/84/388289384.db2.gz BYVVLADOTXVTEY-LLVKDONJSA-N 1 1 232.327 2.161 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000491370964 388289385 /nfs/dbraw/zinc/28/93/85/388289385.db2.gz BYVVLADOTXVTEY-LLVKDONJSA-N 1 1 232.327 2.161 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000491370964 388289387 /nfs/dbraw/zinc/28/93/87/388289387.db2.gz BYVVLADOTXVTEY-LLVKDONJSA-N 1 1 232.327 2.161 20 30 BEEDMO C=CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700171 388291176 /nfs/dbraw/zinc/29/11/76/388291176.db2.gz FVHWKDUWCGQRLQ-FRRDWIJNSA-N 1 1 209.333 2.045 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720237 388291548 /nfs/dbraw/zinc/29/15/48/388291548.db2.gz XWXJHVSQRFONNF-FRRDWIJNSA-N 1 1 209.333 2.045 20 30 BEEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CC1 ZINC000491427356 388291873 /nfs/dbraw/zinc/29/18/73/388291873.db2.gz KNIVATPPHDZAJF-OCCSQVGLSA-N 1 1 221.344 2.289 20 30 BEEDMO C=CCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451751053 388293648 /nfs/dbraw/zinc/29/36/48/388293648.db2.gz AMBDCJTXWLKGTL-OAHLLOKOSA-N 1 1 229.389 2.186 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000491438962 388294835 /nfs/dbraw/zinc/29/48/35/388294835.db2.gz HDSCNFVFLUOYPC-MFKMUULPSA-N 1 1 237.730 2.327 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccnn1C1CCCC1 ZINC000491473906 388297240 /nfs/dbraw/zinc/29/72/40/388297240.db2.gz IKKGGTXXZKSWPC-UHFFFAOYSA-N 1 1 231.343 2.453 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccnn1C1CCCC1 ZINC000491473906 388297242 /nfs/dbraw/zinc/29/72/42/388297242.db2.gz IKKGGTXXZKSWPC-UHFFFAOYSA-N 1 1 231.343 2.453 20 30 BEEDMO C#CC[N@@H+](CN1CC[C@@H](C)C1=O)C1CCCCC1 ZINC000491475368 388297570 /nfs/dbraw/zinc/29/75/70/388297570.db2.gz WDQWWOWVPAWRGM-CYBMUJFWSA-N 1 1 248.370 2.080 20 30 BEEDMO C#CC[N@H+](CN1CC[C@@H](C)C1=O)C1CCCCC1 ZINC000491475368 388297572 /nfs/dbraw/zinc/29/75/72/388297572.db2.gz WDQWWOWVPAWRGM-CYBMUJFWSA-N 1 1 248.370 2.080 20 30 BEEDMO C#CC[N@H+](Cc1ccn(CCC)c1)C1CC1 ZINC000491495573 388298692 /nfs/dbraw/zinc/29/86/92/388298692.db2.gz JNSUWYBQHRXCDM-UHFFFAOYSA-N 1 1 216.328 2.496 20 30 BEEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000451838793 388299929 /nfs/dbraw/zinc/29/99/29/388299929.db2.gz JGXCPTIXIQFOBX-NSHDSACASA-N 1 1 226.364 2.044 20 30 BEEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854780 388301345 /nfs/dbraw/zinc/30/13/45/388301345.db2.gz RJDKKANWTWXJGP-NWDGAFQWSA-N 1 1 234.343 2.180 20 30 BEEDMO C=CCC[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451852980 388301536 /nfs/dbraw/zinc/30/15/36/388301536.db2.gz OTPOVBCHALGIMY-NEPJUHHUSA-N 1 1 209.333 2.452 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000491536397 388302005 /nfs/dbraw/zinc/30/20/05/388302005.db2.gz JLLUOHUBDMNPJM-LLVKDONJSA-N 1 1 230.311 2.099 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000491654089 388308382 /nfs/dbraw/zinc/30/83/82/388308382.db2.gz OZSKRCJLWHLTLR-JTQLQIEISA-N 1 1 248.282 2.057 20 30 BEEDMO C#CC[N@H+](CCC[C@H](C)O)C1CCCCC1 ZINC000491659103 388308958 /nfs/dbraw/zinc/30/89/58/388308958.db2.gz KTBSABGSOJIZOQ-ZDUSSCGKSA-N 1 1 223.360 2.415 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000491679629 388310453 /nfs/dbraw/zinc/31/04/53/388310453.db2.gz GEEBLOQEJUFSDR-LLVKDONJSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700630 388312519 /nfs/dbraw/zinc/31/25/19/388312519.db2.gz GMOQNAPCRMHEQX-CJNGLKHVSA-N 1 1 243.350 2.249 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000491709454 388313942 /nfs/dbraw/zinc/31/39/42/388313942.db2.gz WWBMJAZSMBMOSE-LLVKDONJSA-N 1 1 228.295 2.020 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000491709454 388313943 /nfs/dbraw/zinc/31/39/43/388313943.db2.gz WWBMJAZSMBMOSE-LLVKDONJSA-N 1 1 228.295 2.020 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000491726589 388315257 /nfs/dbraw/zinc/31/52/57/388315257.db2.gz KDEWSTYYZWKDNP-CYBMUJFWSA-N 1 1 243.354 2.135 20 30 BEEDMO C#CC[N@H+](Cc1ccccc1N(C)C)C1CC1 ZINC000491733850 388316129 /nfs/dbraw/zinc/31/61/29/388316129.db2.gz KTOZDKRANMXDMT-UHFFFAOYSA-N 1 1 228.339 2.350 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(CC)nc1)C1CC1 ZINC000491748934 388317459 /nfs/dbraw/zinc/31/74/59/388317459.db2.gz FJEROYVBLWIWFB-UHFFFAOYSA-N 1 1 214.312 2.242 20 30 BEEDMO C#CC[N@H+](Cc1ccc(CC)nc1)C1CC1 ZINC000491748934 388317460 /nfs/dbraw/zinc/31/74/60/388317460.db2.gz FJEROYVBLWIWFB-UHFFFAOYSA-N 1 1 214.312 2.242 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000491754199 388318144 /nfs/dbraw/zinc/31/81/44/388318144.db2.gz RPTVGKJVYYYMLC-GFCCVEGCSA-N 1 1 217.312 2.463 20 30 BEEDMO C#CC[N@H+](C)[C@H](CCOC)c1ccccc1 ZINC000491776518 388319913 /nfs/dbraw/zinc/31/99/13/388319913.db2.gz WDNRWILEQQXVRL-CQSZACIVSA-N 1 1 217.312 2.329 20 30 BEEDMO C#CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000491780593 388320489 /nfs/dbraw/zinc/32/04/89/388320489.db2.gz DZICINWTTHDQGT-UHFFFAOYSA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000491802802 388321655 /nfs/dbraw/zinc/32/16/55/388321655.db2.gz HBAJDTFKTZOMAE-JTQLQIEISA-N 1 1 243.310 2.432 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(Cl)n1 ZINC000491813043 388322888 /nfs/dbraw/zinc/32/28/88/388322888.db2.gz GKTQEFMTXGULEN-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Cl)n1 ZINC000491813043 388322889 /nfs/dbraw/zinc/32/28/89/388322889.db2.gz GKTQEFMTXGULEN-VIFPVBQESA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Cl)n1 ZINC000491813042 388323027 /nfs/dbraw/zinc/32/30/27/388323027.db2.gz GKTQEFMTXGULEN-SECBINFHSA-N 1 1 208.692 2.189 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Cl)n1 ZINC000491813042 388323028 /nfs/dbraw/zinc/32/30/28/388323028.db2.gz GKTQEFMTXGULEN-SECBINFHSA-N 1 1 208.692 2.189 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCc1cccc(C)n1 ZINC000491819165 388323712 /nfs/dbraw/zinc/32/37/12/388323712.db2.gz MWGJXOSINWFDRE-UHFFFAOYSA-N 1 1 216.328 2.276 20 30 BEEDMO C=CCOCCC[N@H+](C)Cc1ccccn1 ZINC000451366982 388265580 /nfs/dbraw/zinc/26/55/80/388265580.db2.gz KHMSNHFRIIITDS-UHFFFAOYSA-N 1 1 220.316 2.106 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cnc(C)s1 ZINC000491072846 388267638 /nfs/dbraw/zinc/26/76/38/388267638.db2.gz VUJYXHJCMFMYQK-UHFFFAOYSA-N 1 1 208.330 2.295 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cnc(C)s1 ZINC000491072846 388267640 /nfs/dbraw/zinc/26/76/40/388267640.db2.gz VUJYXHJCMFMYQK-UHFFFAOYSA-N 1 1 208.330 2.295 20 30 BEEDMO C#CC[N@H+](CCC1(O)CC1)Cc1ccccc1 ZINC000491126709 388271794 /nfs/dbraw/zinc/27/17/94/388271794.db2.gz RDCVJCJJCRRJHU-UHFFFAOYSA-N 1 1 229.323 2.037 20 30 BEEDMO CO[C@@H]1CC[N@@H+](CCCCC#N)CC1(C)C ZINC000451545789 388280507 /nfs/dbraw/zinc/28/05/07/388280507.db2.gz ARYCJOTUPCFGLS-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO Cc1cc(CNC[C@@H](C)C[NH+](C)C)ccc1C#N ZINC000491595806 388350374 /nfs/dbraw/zinc/35/03/74/388350374.db2.gz DPOASOBNCQNJCF-GFCCVEGCSA-N 1 1 245.370 2.154 20 30 BEEDMO C[C@H](NC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000132088835 388354887 /nfs/dbraw/zinc/35/48/87/388354887.db2.gz ZTISHYOPSBFRFC-JSGCOSHPSA-N 1 1 243.354 2.208 20 30 BEEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C1 ZINC000271005962 388370287 /nfs/dbraw/zinc/37/02/87/388370287.db2.gz GWLCQBFAQSXLGV-NSHDSACASA-N 1 1 230.311 2.409 20 30 BEEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000271169594 388375101 /nfs/dbraw/zinc/37/51/01/388375101.db2.gz IODNLBOCXWVCNJ-SNVBAGLBSA-N 1 1 236.340 2.088 20 30 BEEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000572830043 388379447 /nfs/dbraw/zinc/37/94/47/388379447.db2.gz XSYGPEKWVULOBV-KBPBESRZSA-N 1 1 239.359 2.223 20 30 BEEDMO C=CCCCC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000572830046 388379798 /nfs/dbraw/zinc/37/97/98/388379798.db2.gz XSYGPEKWVULOBV-ZIAGYGMSSA-N 1 1 239.359 2.223 20 30 BEEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1C ZINC000595506107 388387561 /nfs/dbraw/zinc/38/75/61/388387561.db2.gz ZKIBCBHGHRRQFQ-VXGBXAGGSA-N 1 1 214.312 2.441 20 30 BEEDMO C[C@@H]1[C@@H](C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595506105 388387951 /nfs/dbraw/zinc/38/79/51/388387951.db2.gz ZKIBCBHGHRRQFQ-NWDGAFQWSA-N 1 1 214.312 2.441 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000309711740 388461991 /nfs/dbraw/zinc/46/19/91/388461991.db2.gz QVKIDMUUNPGRCJ-NSHDSACASA-N 1 1 213.284 2.064 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000649249360 388468719 /nfs/dbraw/zinc/46/87/19/388468719.db2.gz XBVMGQGIFSSDFV-OAHLLOKOSA-N 1 1 249.354 2.454 20 30 BEEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000170821119 388468775 /nfs/dbraw/zinc/46/87/75/388468775.db2.gz QVRFBAMOISMNIO-AWEZNQCLSA-N 1 1 230.311 2.169 20 30 BEEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000170821117 388469216 /nfs/dbraw/zinc/46/92/16/388469216.db2.gz QVRFBAMOISMNIO-CQSZACIVSA-N 1 1 230.311 2.169 20 30 BEEDMO CC(C)C[C@H]1CCC[N@H+]1CCOCCC#N ZINC000338943676 388478026 /nfs/dbraw/zinc/47/80/26/388478026.db2.gz GVIHUXIGPVQYJK-CYBMUJFWSA-N 1 1 224.348 2.427 20 30 BEEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)c(C)c2)on1 ZINC000443985811 388421251 /nfs/dbraw/zinc/42/12/51/388421251.db2.gz ZQRYAZJASQYMQD-UHFFFAOYSA-N 1 1 241.294 2.453 20 30 BEEDMO C=CCCC(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000548453998 388539197 /nfs/dbraw/zinc/53/91/97/388539197.db2.gz HRINKFIMCNWDQG-ZDUSSCGKSA-N 1 1 238.375 2.285 20 30 BEEDMO C[N@@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)C#N ZINC000517154329 388540076 /nfs/dbraw/zinc/54/00/76/388540076.db2.gz PPZKDANJPROZLG-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CCCC[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC000342788252 388499202 /nfs/dbraw/zinc/49/92/02/388499202.db2.gz OALNROPESIFTDM-NSHDSACASA-N 1 1 234.347 2.121 20 30 BEEDMO C[C@H]1CC(C)(C)C[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528524836 388502114 /nfs/dbraw/zinc/50/21/14/388502114.db2.gz LTOPWXQTHIFEOS-NWDGAFQWSA-N 1 1 236.359 2.162 20 30 BEEDMO CC[C@@H](C[NH2+]CCC#N)Oc1cccc(F)c1 ZINC000516645209 388512659 /nfs/dbraw/zinc/51/26/59/388512659.db2.gz OXJGZAKQLDPSKY-LBPRGKRZSA-N 1 1 236.290 2.486 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528430853 388524451 /nfs/dbraw/zinc/52/44/51/388524451.db2.gz LPQNQQAARCTHIF-UPJWGTAASA-N 1 1 236.359 2.019 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528430851 388525138 /nfs/dbraw/zinc/52/51/38/388525138.db2.gz LPQNQQAARCTHIF-JHJVBQTASA-N 1 1 236.359 2.019 20 30 BEEDMO CC[N@@H+](CCNc1cccnc1C#N)C(C)C ZINC000357275517 388613150 /nfs/dbraw/zinc/61/31/50/388613150.db2.gz HLKBELZNIRVUAH-UHFFFAOYSA-N 1 1 232.331 2.095 20 30 BEEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](COCC)C1 ZINC000528725306 388561744 /nfs/dbraw/zinc/56/17/44/388561744.db2.gz PYBLQRVUJLPUGJ-UONOGXRCSA-N 1 1 241.375 2.469 20 30 BEEDMO C[C@H](Nc1ncccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000272935235 388572661 /nfs/dbraw/zinc/57/26/61/388572661.db2.gz LINKPTBZZLMFLA-NSHDSACASA-N 1 1 242.326 2.016 20 30 BEEDMO C=CCCCC[N@@H+]1CCn2c(CC)nnc2C1 ZINC000649294642 388572887 /nfs/dbraw/zinc/57/28/87/388572887.db2.gz KUEFPFRZZKROPD-UHFFFAOYSA-N 1 1 234.347 2.012 20 30 BEEDMO C=CCCCC[N@H+]1CCn2c(CC)nnc2C1 ZINC000649294642 388572891 /nfs/dbraw/zinc/57/28/91/388572891.db2.gz KUEFPFRZZKROPD-UHFFFAOYSA-N 1 1 234.347 2.012 20 30 BEEDMO Cc1cc(C[N@@H+](C)C[C@H]2CCOC2)ccc1C#N ZINC000488468970 388579960 /nfs/dbraw/zinc/57/99/60/388579960.db2.gz YQBCOVIIRWPLCK-CQSZACIVSA-N 1 1 244.338 2.335 20 30 BEEDMO C=CCSCCNc1cc(C)[nH+]c(C)n1 ZINC000218872820 388585471 /nfs/dbraw/zinc/58/54/71/388585471.db2.gz MGPKPTXKXVECDI-UHFFFAOYSA-N 1 1 223.345 2.425 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000552080223 388666935 /nfs/dbraw/zinc/66/69/35/388666935.db2.gz UEVYRYHYPPIYTG-CYBMUJFWSA-N 1 1 208.349 2.123 20 30 BEEDMO C=C(C)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000552080223 388666937 /nfs/dbraw/zinc/66/69/37/388666937.db2.gz UEVYRYHYPPIYTG-CYBMUJFWSA-N 1 1 208.349 2.123 20 30 BEEDMO C=C(C)CC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000552080215 388667756 /nfs/dbraw/zinc/66/77/56/388667756.db2.gz SKZAHIGXNNZVHW-ZDUSSCGKSA-N 1 1 233.359 2.251 20 30 BEEDMO CO[C@@H](C)C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000272807455 388672236 /nfs/dbraw/zinc/67/22/36/388672236.db2.gz MHXSNKINHNEDCO-JTQLQIEISA-N 1 1 236.290 2.164 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCCC(C)C ZINC000125943613 388683476 /nfs/dbraw/zinc/68/34/76/388683476.db2.gz SLKJIAMMQQRBAO-CYBMUJFWSA-N 1 1 240.391 2.435 20 30 BEEDMO CC1(C#N)CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215967 388629622 /nfs/dbraw/zinc/62/96/22/388629622.db2.gz LBKQKJGLCNZYGG-ROKHWSDSSA-N 1 1 247.386 2.333 20 30 BEEDMO C#CC[N@@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000189543558 388636889 /nfs/dbraw/zinc/63/68/89/388636889.db2.gz YYMXCLKLDRHUMF-AWEZNQCLSA-N 1 1 221.344 2.433 20 30 BEEDMO N#CC1(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104019 388637597 /nfs/dbraw/zinc/63/75/97/388637597.db2.gz FUZBSSIELNJNAK-UONOGXRCSA-N 1 1 247.386 2.287 20 30 BEEDMO CC1(C)CCC[C@H](C[NH+]2CC(O)(CC#N)C2)C1 ZINC000530388947 388652560 /nfs/dbraw/zinc/65/25/60/388652560.db2.gz ILHLUCMZBYQECF-LBPRGKRZSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000124013875 388739227 /nfs/dbraw/zinc/73/92/27/388739227.db2.gz JBALDRFIYFOMKJ-CQSZACIVSA-N 1 1 248.301 2.044 20 30 BEEDMO C[C@@H]([NH2+]CCCN(C)C)c1ccc(C#N)cc1 ZINC000019958432 388753110 /nfs/dbraw/zinc/75/31/10/388753110.db2.gz LCSDAUYNIGOBPK-GFCCVEGCSA-N 1 1 231.343 2.161 20 30 BEEDMO C[NH2+]C[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000423272318 388690288 /nfs/dbraw/zinc/69/02/88/388690288.db2.gz JVGGJTHGGDCDAH-NEPJUHHUSA-N 1 1 231.343 2.064 20 30 BEEDMO C[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000423373100 388690654 /nfs/dbraw/zinc/69/06/54/388690654.db2.gz WFTGRAOQIKGOQL-SWLSCSKDSA-N 1 1 243.354 2.351 20 30 BEEDMO C[C@@H](CN)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423363820 388690895 /nfs/dbraw/zinc/69/08/95/388690895.db2.gz BWRLXCCTHSBERQ-XHDPSFHLSA-N 1 1 243.354 2.263 20 30 BEEDMO C[C@H](N[C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C#N)c1 ZINC000423397770 388692833 /nfs/dbraw/zinc/69/28/33/388692833.db2.gz OMFJYBIWFMMITC-TYNCELHUSA-N 1 1 243.354 2.207 20 30 BEEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000193558003 388709093 /nfs/dbraw/zinc/70/90/93/388709093.db2.gz BUHSSKJDBRTPEO-ZIAGYGMSSA-N 1 1 241.375 2.205 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249437705 388721906 /nfs/dbraw/zinc/72/19/06/388721906.db2.gz IWLVQVZSPWHCOY-RWMBFGLXSA-N 1 1 238.375 2.045 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249437705 388721910 /nfs/dbraw/zinc/72/19/10/388721910.db2.gz IWLVQVZSPWHCOY-RWMBFGLXSA-N 1 1 238.375 2.045 20 30 BEEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000533080661 388723513 /nfs/dbraw/zinc/72/35/13/388723513.db2.gz JNHHCHMVEKHLPJ-JSGCOSHPSA-N 1 1 244.338 2.151 20 30 BEEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127491538 388724170 /nfs/dbraw/zinc/72/41/70/388724170.db2.gz MOIYMVPBHPYDFY-LLVKDONJSA-N 1 1 240.347 2.114 20 30 BEEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000127491538 388724173 /nfs/dbraw/zinc/72/41/73/388724173.db2.gz MOIYMVPBHPYDFY-LLVKDONJSA-N 1 1 240.347 2.114 20 30 BEEDMO C#CC[N@H+](Cc1cnoc1C)C1CCCC1 ZINC000128890648 388802570 /nfs/dbraw/zinc/80/25/70/388802570.db2.gz YEXZDTYIOMQTFO-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO C[C@@H]1OCC[N@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000156329401 388803547 /nfs/dbraw/zinc/80/35/47/388803547.db2.gz UAAYLGMJZMPGJW-RYUDHWBXSA-N 1 1 230.311 2.167 20 30 BEEDMO C[C@@H]1OCC[N@@H+](Cc2cccc(C#N)c2)[C@H]1C ZINC000156329401 388803554 /nfs/dbraw/zinc/80/35/54/388803554.db2.gz UAAYLGMJZMPGJW-RYUDHWBXSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000280550489 388783868 /nfs/dbraw/zinc/78/38/68/388783868.db2.gz JYVZVKIMKUQKLB-ZDUSSCGKSA-N 1 1 234.299 2.152 20 30 BEEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000334831608 388826790 /nfs/dbraw/zinc/82/67/90/388826790.db2.gz IKEOONBXCHVVQX-NXEZZACHSA-N 1 1 204.273 2.382 20 30 BEEDMO CCc1nnc([C@H](C)[NH+]2CCC(CC#N)CC2)o1 ZINC000541022407 388837001 /nfs/dbraw/zinc/83/70/01/388837001.db2.gz CUDVWLUWASOXEB-JTQLQIEISA-N 1 1 248.330 2.319 20 30 BEEDMO C[C@@H](C#N)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000541763215 388867658 /nfs/dbraw/zinc/86/76/58/388867658.db2.gz CGMKBFJLFICCEA-QZPNVGJNSA-N 1 1 245.282 2.357 20 30 BEEDMO C=CCCCC[N@H+](C)CCC(=O)OCC ZINC000556195480 388870704 /nfs/dbraw/zinc/87/07/04/388870704.db2.gz OAADTSVQOZOXKT-UHFFFAOYSA-N 1 1 213.321 2.228 20 30 BEEDMO CC#CC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000275239833 389053666 /nfs/dbraw/zinc/05/36/66/389053666.db2.gz WXJZXMCBDRJNHP-UHFFFAOYSA-N 1 1 220.341 2.444 20 30 BEEDMO C[C@H](CCCC#N)N1CCC([NH+](C)C)CC1 ZINC001172494637 974844446 /nfs/dbraw/zinc/84/44/46/974844446.db2.gz WSYPEJCOEQPBQP-GFCCVEGCSA-N 1 1 223.364 2.095 20 30 BEEDMO 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C#C[C@@H]1CCCC[N@H+]1Cc1cc(C)ns1 ZINC001648565513 1172851173 /nfs/dbraw/zinc/85/11/73/1172851173.db2.gz NFKJORHROCHQMT-LLVKDONJSA-N 1 1 220.341 2.439 20 30 BEEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(C)ns1 ZINC001648565513 1172851175 /nfs/dbraw/zinc/85/11/75/1172851175.db2.gz NFKJORHROCHQMT-LLVKDONJSA-N 1 1 220.341 2.439 20 30 BEEDMO C=CC[C@@H]([NH2+]Cc1nccn1C)c1ccncc1 ZINC001649806841 1172879754 /nfs/dbraw/zinc/87/97/54/1172879754.db2.gz NVAJGHNZHOITQI-CYBMUJFWSA-N 1 1 242.326 2.222 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000448364429 487568748 /nfs/dbraw/zinc/56/87/48/487568748.db2.gz FXHQJTMXTPQKKP-NSHDSACASA-N 1 1 224.348 2.019 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448364428 487569998 /nfs/dbraw/zinc/56/99/98/487569998.db2.gz FXHQJTMXTPQKKP-LLVKDONJSA-N 1 1 224.348 2.019 20 30 BEEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000271176963 167210215 /nfs/dbraw/zinc/21/02/15/167210215.db2.gz GNEHJAVHCQWMLN-UHFFFAOYSA-N 1 1 236.315 2.398 20 30 BEEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000680405566 487587837 /nfs/dbraw/zinc/58/78/37/487587837.db2.gz NAKFHVDLIXZKNK-NEPJUHHUSA-N 1 1 242.326 2.182 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000279400280 166111821 /nfs/dbraw/zinc/11/18/21/166111821.db2.gz ZMZBXZYUNFDFSA-UHFFFAOYSA-N 1 1 232.283 2.438 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000279400280 166111824 /nfs/dbraw/zinc/11/18/24/166111824.db2.gz ZMZBXZYUNFDFSA-UHFFFAOYSA-N 1 1 232.283 2.438 20 30 BEEDMO C#CCCC[N@@H+](C)Cc1nccn1C(F)F ZINC000270994992 166128784 /nfs/dbraw/zinc/12/87/84/166128784.db2.gz FILCBSWPGAGBDZ-UHFFFAOYSA-N 1 1 227.258 2.123 20 30 BEEDMO C#CCCC[N@H+](C)Cc1nccn1C(F)F ZINC000270994992 166128786 /nfs/dbraw/zinc/12/87/86/166128786.db2.gz FILCBSWPGAGBDZ-UHFFFAOYSA-N 1 1 227.258 2.123 20 30 BEEDMO C#CCCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000271035876 166128965 /nfs/dbraw/zinc/12/89/65/166128965.db2.gz LRZFJQYTFVTEFT-UHFFFAOYSA-N 1 1 231.295 2.261 20 30 BEEDMO C#CCCC[N@@H+]1CCN(C)c2ccccc2C1 ZINC000270998815 166130598 /nfs/dbraw/zinc/13/05/98/166130598.db2.gz FWZVCGCSYAVAGQ-UHFFFAOYSA-N 1 1 228.339 2.352 20 30 BEEDMO C#CCC[N@@H+](C)CCOc1ccccc1C ZINC000268733752 166135019 /nfs/dbraw/zinc/13/50/19/166135019.db2.gz RKXQJSWVRGIWNX-UHFFFAOYSA-N 1 1 217.312 2.329 20 30 BEEDMO CC[N@H+](C)C[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119698692 410179658 /nfs/dbraw/zinc/17/96/58/410179658.db2.gz BLQQLQWHPUUHAU-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119698692 410179664 /nfs/dbraw/zinc/17/96/64/410179664.db2.gz BLQQLQWHPUUHAU-ZDUSSCGKSA-N 1 1 237.391 2.200 20 30 BEEDMO C=CC[N@@H+](Cc1ncccc1C)[C@@H](C)COC ZINC000661240587 410402267 /nfs/dbraw/zinc/40/22/67/410402267.db2.gz OTSTUQWNPHSVIE-ZDUSSCGKSA-N 1 1 234.343 2.413 20 30 BEEDMO C=CC[N@H+](CCc1ccccn1)[C@H](C)COC ZINC000661247634 410408933 /nfs/dbraw/zinc/40/89/33/410408933.db2.gz PYUVRNUZMVVBBB-CYBMUJFWSA-N 1 1 234.343 2.147 20 30 BEEDMO C#CC[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000153207190 166170330 /nfs/dbraw/zinc/17/03/30/166170330.db2.gz CVFNKCJMCNJKIA-UHFFFAOYSA-N 1 1 245.322 2.075 20 30 BEEDMO C=CCCC[N@H+](C)Cc1ccc(OC)cn1 ZINC000271762677 166233167 /nfs/dbraw/zinc/23/31/67/166233167.db2.gz AFYHMSCVWONSQN-UHFFFAOYSA-N 1 1 220.316 2.488 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268411493 166234099 /nfs/dbraw/zinc/23/40/99/166234099.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=CCCC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268411493 166234100 /nfs/dbraw/zinc/23/41/00/166234100.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268411493 166234101 /nfs/dbraw/zinc/23/41/01/166234101.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=CCCC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268411493 166234102 /nfs/dbraw/zinc/23/41/02/166234102.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268411493 166234103 /nfs/dbraw/zinc/23/41/03/166234103.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 1 234.347 2.259 20 30 BEEDMO C=CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000279268150 166240500 /nfs/dbraw/zinc/24/05/00/166240500.db2.gz UXCVEMBJIXZWPN-CQSZACIVSA-N 1 1 246.354 2.372 20 30 BEEDMO C=CCC[N@H+](C)Cc1cccc(OC)n1 ZINC000276443807 166258571 /nfs/dbraw/zinc/25/85/71/166258571.db2.gz OVQIZKIUXUIEQB-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO C=CCC[N@@H+](C)Cc1nc(CCC)no1 ZINC000276386947 166258748 /nfs/dbraw/zinc/25/87/48/166258748.db2.gz IWCCRLRSAGCMQW-UHFFFAOYSA-N 1 1 209.293 2.030 20 30 BEEDMO C=CCC[N@H+](C)Cc1nc(CCC)no1 ZINC000276386947 166258750 /nfs/dbraw/zinc/25/87/50/166258750.db2.gz IWCCRLRSAGCMQW-UHFFFAOYSA-N 1 1 209.293 2.030 20 30 BEEDMO C=CCC[N@@H+](C)Cc1nccn1C(C)C ZINC000276458270 166259145 /nfs/dbraw/zinc/25/91/45/166259145.db2.gz QJYOHNMUVFOTIE-UHFFFAOYSA-N 1 1 207.321 2.472 20 30 BEEDMO C=CCC[N@H+](C)Cc1nccn1C(C)C ZINC000276458270 166259147 /nfs/dbraw/zinc/25/91/47/166259147.db2.gz QJYOHNMUVFOTIE-UHFFFAOYSA-N 1 1 207.321 2.472 20 30 BEEDMO C=CCC[N@H+](C)Cc1cnc2c(c1)c(C)nn2C ZINC000276448036 166259618 /nfs/dbraw/zinc/25/96/18/166259618.db2.gz PGKVNZIBXJGNPJ-UHFFFAOYSA-N 1 1 244.342 2.285 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177055245 166259636 /nfs/dbraw/zinc/25/96/36/166259636.db2.gz UCJVANCTAAZNPW-UHFFFAOYSA-N 1 1 221.300 2.409 20 30 BEEDMO C=CCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000338542428 166263912 /nfs/dbraw/zinc/26/39/12/166263912.db2.gz ZPBQVUZNDKKZGP-OAHLLOKOSA-N 1 1 247.338 2.342 20 30 BEEDMO C=CCC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674941 166264648 /nfs/dbraw/zinc/26/46/48/166264648.db2.gz FGVDJCWYXKJSFY-UHFFFAOYSA-N 1 1 248.282 2.365 20 30 BEEDMO C=CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352674941 166264651 /nfs/dbraw/zinc/26/46/51/166264651.db2.gz FGVDJCWYXKJSFY-UHFFFAOYSA-N 1 1 248.282 2.365 20 30 BEEDMO C=CCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000265788992 166265603 /nfs/dbraw/zinc/26/56/03/166265603.db2.gz MCKQXPVJQGHUDR-CQSZACIVSA-N 1 1 244.338 2.126 20 30 BEEDMO C=CCC[N@@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000338563055 166267661 /nfs/dbraw/zinc/26/76/61/166267661.db2.gz HYUIGUCQFWCIHN-QWHCGFSZSA-N 1 1 240.416 2.074 20 30 BEEDMO C=CCCN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000338563055 166267662 /nfs/dbraw/zinc/26/76/62/166267662.db2.gz HYUIGUCQFWCIHN-QWHCGFSZSA-N 1 1 240.416 2.074 20 30 BEEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187825638 166293137 /nfs/dbraw/zinc/29/31/37/166293137.db2.gz RMQQIXKZMBIOOP-SUNKGSAMSA-N 1 1 217.378 2.040 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000268530087 166303658 /nfs/dbraw/zinc/30/36/58/166303658.db2.gz IIJQBGBEEHAMEZ-ZDUSSCGKSA-N 1 1 235.327 2.151 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000268533583 166303928 /nfs/dbraw/zinc/30/39/28/166303928.db2.gz JEGXFOWSHSDKSV-GXTWGEPZSA-N 1 1 234.343 2.479 20 30 BEEDMO C=CC[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000154781952 166321695 /nfs/dbraw/zinc/32/16/95/166321695.db2.gz WZHYTMHWSXOLDV-UHFFFAOYSA-N 1 1 207.321 2.138 20 30 BEEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000121154703 166323002 /nfs/dbraw/zinc/32/30/02/166323002.db2.gz JDKLDGKDBIKODC-NSHDSACASA-N 1 1 243.310 2.003 20 30 BEEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000121154703 166323004 /nfs/dbraw/zinc/32/30/04/166323004.db2.gz JDKLDGKDBIKODC-NSHDSACASA-N 1 1 243.310 2.003 20 30 BEEDMO C=CC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000061761172 166325403 /nfs/dbraw/zinc/32/54/03/166325403.db2.gz QVMYGKSDSGNOPG-GFCCVEGCSA-N 1 1 233.311 2.334 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CCC ZINC000270687204 166330829 /nfs/dbraw/zinc/33/08/29/166330829.db2.gz DPNZUTAGUFMFQE-CYBMUJFWSA-N 1 1 238.375 2.307 20 30 BEEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccno1 ZINC000272260822 166344727 /nfs/dbraw/zinc/34/47/27/166344727.db2.gz KADJGBYHXVVHAI-UHFFFAOYSA-N 1 1 232.283 2.498 20 30 BEEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccn2)CC1 ZINC000179470899 166352573 /nfs/dbraw/zinc/35/25/73/166352573.db2.gz XQKDZFVIEZNGMZ-ZDUSSCGKSA-N 1 1 245.370 2.383 20 30 BEEDMO C=CC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000271644862 166353630 /nfs/dbraw/zinc/35/36/30/166353630.db2.gz QPNXVPKXAYGYOE-UHFFFAOYSA-N 1 1 205.305 2.084 20 30 BEEDMO C=CC[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000046171310 166355419 /nfs/dbraw/zinc/35/54/19/166355419.db2.gz GFGKQCLNGPUBRW-UHFFFAOYSA-N 1 1 230.355 2.299 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](CCc2cn[nH]c2)C1 ZINC000661387308 410605071 /nfs/dbraw/zinc/60/50/71/410605071.db2.gz XTWVVLNGXAZMLF-LBPRGKRZSA-N 1 1 219.332 2.240 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000661384276 410599888 /nfs/dbraw/zinc/59/98/88/410599888.db2.gz HZPDGKMPWJAFLH-CHWSQXEVSA-N 1 1 211.349 2.291 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000661385883 410602497 /nfs/dbraw/zinc/60/24/97/410602497.db2.gz QMIRWUDYOBRCGC-NSHDSACASA-N 1 1 205.305 2.198 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC000661385875 410602515 /nfs/dbraw/zinc/60/25/15/410602515.db2.gz QMIRWUDYOBRCGC-LLVKDONJSA-N 1 1 205.305 2.198 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](Cc2ncccn2)C1 ZINC000661386925 410604609 /nfs/dbraw/zinc/60/46/09/410604609.db2.gz WPVWMQPTSPQWEK-LBPRGKRZSA-N 1 1 217.316 2.265 20 30 BEEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CCCOC1 ZINC001172506529 974860689 /nfs/dbraw/zinc/86/06/89/974860689.db2.gz VOPACHSFHFHNTD-VXGBXAGGSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152420 411132437 /nfs/dbraw/zinc/13/24/37/411132437.db2.gz XMIIMAOAKFJJAJ-RISCZKNCSA-N 1 1 248.301 2.237 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1cc2cnccc2o1 ZINC000651784854 411143451 /nfs/dbraw/zinc/14/34/51/411143451.db2.gz GBAJTJUAXADYNK-UHFFFAOYSA-N 1 1 246.310 2.462 20 30 BEEDMO C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H](C)[N@@H+]1C ZINC000595504751 411150757 /nfs/dbraw/zinc/15/07/57/411150757.db2.gz ILTKDEWTUKVTFG-GUTXKFCHSA-N 1 1 243.354 2.276 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661692988 411160603 /nfs/dbraw/zinc/16/06/03/411160603.db2.gz JRGKZTGYLJUOPP-QWHCGFSZSA-N 1 1 229.339 2.385 20 30 BEEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000652046042 411095586 /nfs/dbraw/zinc/09/55/86/411095586.db2.gz LLQZIIJEHNYCTM-ZDUSSCGKSA-N 1 1 249.354 2.454 20 30 BEEDMO C=CCN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000661642722 411119156 /nfs/dbraw/zinc/11/91/56/411119156.db2.gz AZVNABCBRPDUNH-MRXNPFEDSA-N 1 1 244.382 2.421 20 30 BEEDMO C=CC[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661642722 411119158 /nfs/dbraw/zinc/11/91/58/411119158.db2.gz AZVNABCBRPDUNH-MRXNPFEDSA-N 1 1 244.382 2.421 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000661642722 411119160 /nfs/dbraw/zinc/11/91/60/411119160.db2.gz AZVNABCBRPDUNH-MRXNPFEDSA-N 1 1 244.382 2.421 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653813015 411189781 /nfs/dbraw/zinc/18/97/81/411189781.db2.gz WRFJXOLMNVYATP-CYBMUJFWSA-N 1 1 207.317 2.043 20 30 BEEDMO CCN(CC[NH2+]CCC#N)c1ccccc1C ZINC000515165715 411273387 /nfs/dbraw/zinc/27/33/87/411273387.db2.gz DSPPDSUJKAHLMT-UHFFFAOYSA-N 1 1 231.343 2.325 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cc(C)nc(C)n1 ZINC000659836808 411316317 /nfs/dbraw/zinc/31/63/17/411316317.db2.gz ANTUXBNRTMPZQP-UHFFFAOYSA-N 1 1 217.316 2.267 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccn1C ZINC000662078216 411358414 /nfs/dbraw/zinc/35/84/14/411358414.db2.gz CSKVICBMBPJKDI-TXEJJXNPSA-N 1 1 217.316 2.103 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC000662089432 411359181 /nfs/dbraw/zinc/35/91/81/411359181.db2.gz YRQTUAIEWBFXJM-MCIONIFRSA-N 1 1 248.370 2.086 20 30 BEEDMO C=CCCn1cc(CNc2cccc(C)[nH+]2)nn1 ZINC000656767298 411360783 /nfs/dbraw/zinc/36/07/83/411360783.db2.gz JMKDXSXUDSGYNZ-UHFFFAOYSA-N 1 1 243.314 2.170 20 30 BEEDMO C=CCCn1cc(CNc2cc(C)cc[nH+]2)nn1 ZINC000656767429 411362592 /nfs/dbraw/zinc/36/25/92/411362592.db2.gz KTNOMHXDKGMMER-UHFFFAOYSA-N 1 1 243.314 2.170 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662115691 411362893 /nfs/dbraw/zinc/36/28/93/411362893.db2.gz PDONGCAONAZUPK-CYBMUJFWSA-N 1 1 238.375 2.189 20 30 BEEDMO CC1=C[C@H](C)C[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335331408 168127795 /nfs/dbraw/zinc/12/77/95/168127795.db2.gz JYZIQQMNDGYGTE-NSHDSACASA-N 1 1 229.327 2.295 20 30 BEEDMO C=CCCn1cc(C[N@H+](C)C2CCCC2)nn1 ZINC000653484917 411375998 /nfs/dbraw/zinc/37/59/98/411375998.db2.gz LMIBGCHRRHYHCK-UHFFFAOYSA-N 1 1 234.347 2.229 20 30 BEEDMO CCCCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172507129 974861939 /nfs/dbraw/zinc/86/19/39/974861939.db2.gz PNGBNVJFTGIDLQ-CQSZACIVSA-N 1 1 237.391 2.486 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000491294657 411392317 /nfs/dbraw/zinc/39/23/17/411392317.db2.gz CKFIRHUCCOVALI-NSHDSACASA-N 1 1 214.312 2.024 20 30 BEEDMO COc1cc(C#N)ccc1C[NH+]1CCSCC1 ZINC000120641980 411403573 /nfs/dbraw/zinc/40/35/73/411403573.db2.gz JWJYFFMPZSRCEK-UHFFFAOYSA-N 1 1 248.351 2.116 20 30 BEEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)nn1 ZINC000653567438 411423812 /nfs/dbraw/zinc/42/38/12/411423812.db2.gz IMMLBQFJBKXKNM-LBPRGKRZSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CC[C@](C)(CC)C2)nn1 ZINC000653568887 411423878 /nfs/dbraw/zinc/42/38/78/411423878.db2.gz QSABQVJTAKUWLQ-AWEZNQCLSA-N 1 1 248.374 2.476 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@@H]2CC)nn1 ZINC000653621492 411446488 /nfs/dbraw/zinc/44/64/88/411446488.db2.gz OXEJMILNECIBMY-JSGCOSHPSA-N 1 1 248.374 2.475 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)no1 ZINC000659828305 411466920 /nfs/dbraw/zinc/46/69/20/411466920.db2.gz BWLUUXLVTLHTJK-UHFFFAOYSA-N 1 1 210.277 2.081 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)no1 ZINC000659828305 411466922 /nfs/dbraw/zinc/46/69/22/411466922.db2.gz BWLUUXLVTLHTJK-UHFFFAOYSA-N 1 1 210.277 2.081 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000659941532 411504714 /nfs/dbraw/zinc/50/47/14/411504714.db2.gz OWMUJFDYPKOUBN-UHFFFAOYSA-N 1 1 219.332 2.491 20 30 BEEDMO CNCC[N@H+]([C@@H](C)CCCC#N)C(C)(C)C ZINC001172508969 974862005 /nfs/dbraw/zinc/86/20/05/974862005.db2.gz IGTKPUIRZBROLB-LBPRGKRZSA-N 1 1 225.380 2.389 20 30 BEEDMO C=C(CC)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657484583 411528941 /nfs/dbraw/zinc/52/89/41/411528941.db2.gz OCBWHCZNBYXZNF-UHFFFAOYSA-N 1 1 220.320 2.059 20 30 BEEDMO CNCC[N@@H+]([C@@H](C)CCCC#N)C(C)(C)C ZINC001172508969 974862008 /nfs/dbraw/zinc/86/20/08/974862008.db2.gz IGTKPUIRZBROLB-LBPRGKRZSA-N 1 1 225.380 2.389 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cc(C)nc(C)n1 ZINC000660221454 411555774 /nfs/dbraw/zinc/55/57/74/411555774.db2.gz PMHVCBITNCSRKC-UHFFFAOYSA-N 1 1 205.305 2.101 20 30 BEEDMO C=CC[C@@H]1[N@H+](CCc2cn[nH]n2)CCCC1(C)C ZINC000660421992 411583120 /nfs/dbraw/zinc/58/31/20/411583120.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 1 248.374 2.414 20 30 BEEDMO C=CC[C@@H]1[N@@H+](CCc2c[nH]nn2)CCCC1(C)C ZINC000660421992 411583123 /nfs/dbraw/zinc/58/31/23/411583123.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 1 248.374 2.414 20 30 BEEDMO C=CC[C@@H]1[N@H+](CCc2c[nH]nn2)CCCC1(C)C ZINC000660421992 411583125 /nfs/dbraw/zinc/58/31/25/411583125.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 1 248.374 2.414 20 30 BEEDMO C=CC[C@@H]1[N@@H+](CCc2cnn[nH]2)CCCC1(C)C ZINC000660421992 411583126 /nfs/dbraw/zinc/58/31/26/411583126.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 1 248.374 2.414 20 30 BEEDMO C=CC[C@@H]1[N@H+](CCc2cnn[nH]2)CCCC1(C)C ZINC000660421992 411583129 /nfs/dbraw/zinc/58/31/29/411583129.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 1 248.374 2.414 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](OC)[C@@H]1CCOC1 ZINC000660430392 411583312 /nfs/dbraw/zinc/58/33/12/411583312.db2.gz SYNXRXFDOZSIGK-MCIONIFRSA-N 1 1 239.359 2.078 20 30 BEEDMO C=CCOCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660625796 411609136 /nfs/dbraw/zinc/60/91/36/411609136.db2.gz KBCUKAKYZTWEAX-CQSZACIVSA-N 1 1 246.354 2.464 20 30 BEEDMO CC#CC[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000660644757 411611555 /nfs/dbraw/zinc/61/15/55/411611555.db2.gz NFHKSLAXKQEJGM-UHFFFAOYSA-N 1 1 219.332 2.093 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000660644757 411611556 /nfs/dbraw/zinc/61/15/56/411611556.db2.gz NFHKSLAXKQEJGM-UHFFFAOYSA-N 1 1 219.332 2.093 20 30 BEEDMO C=C(CC)C[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660662707 411615704 /nfs/dbraw/zinc/61/57/04/411615704.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 1 1 222.376 2.370 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660662707 411615705 /nfs/dbraw/zinc/61/57/05/411615705.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 1 1 222.376 2.370 20 30 BEEDMO C=C(CC)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662707 411615707 /nfs/dbraw/zinc/61/57/07/411615707.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 1 1 222.376 2.370 20 30 BEEDMO C=C(CC)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662707 411615709 /nfs/dbraw/zinc/61/57/09/411615709.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 1 1 222.376 2.370 20 30 BEEDMO C=C(C)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661094033 411705929 /nfs/dbraw/zinc/70/59/29/411705929.db2.gz QMQBTQAABMWKRD-AWEZNQCLSA-N 1 1 219.328 2.098 20 30 BEEDMO C=CCCC[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661097729 411707051 /nfs/dbraw/zinc/70/70/51/411707051.db2.gz VVGVCBNKTUQTKL-OAHLLOKOSA-N 1 1 233.355 2.488 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H](C)CC ZINC000661108239 411711599 /nfs/dbraw/zinc/71/15/99/411711599.db2.gz XFIYQBNTBBRYFB-ZDUSSCGKSA-N 1 1 238.375 2.307 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660930215 411681132 /nfs/dbraw/zinc/68/11/32/411681132.db2.gz LBYNZONTTLABMN-XQQFMLRXSA-N 1 1 209.333 2.188 20 30 BEEDMO C=CC[N@H+](CC[C@H]1CCCCO1)[C@H](C)COC ZINC000661238326 411738979 /nfs/dbraw/zinc/73/89/79/411738979.db2.gz BDCLPJNJYDFBOB-ZIAGYGMSSA-N 1 1 241.375 2.469 20 30 BEEDMO C=CC[N@@H+](Cc1ccc(C)nc1)[C@H](C)COC ZINC000661241204 411740745 /nfs/dbraw/zinc/74/07/45/411740745.db2.gz YCIAIOXBTLDBOS-CYBMUJFWSA-N 1 1 234.343 2.413 20 30 BEEDMO C=CC[N@@H+](CC1CCC(=O)CC1)[C@H](C)COC ZINC000661240120 411740960 /nfs/dbraw/zinc/74/09/60/411740960.db2.gz LWZYAOJNKVKBLF-GFCCVEGCSA-N 1 1 239.359 2.269 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)CCC)C1 ZINC000661385823 411753721 /nfs/dbraw/zinc/75/37/21/411753721.db2.gz QENOGPDZGJQWMW-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)NC(C)(C)C)C1 ZINC000661378373 411760735 /nfs/dbraw/zinc/76/07/35/411760735.db2.gz DZVNEPAQNWDYOA-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCCOC2)C1 ZINC000661380063 411761732 /nfs/dbraw/zinc/76/17/32/411761732.db2.gz DLXWQGSLBDVPGF-QWHCGFSZSA-N 1 1 209.333 2.454 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000661384893 411764227 /nfs/dbraw/zinc/76/42/27/411764227.db2.gz LFIOBUMEZLCCKZ-LLVKDONJSA-N 1 1 205.305 2.198 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661489371 411787293 /nfs/dbraw/zinc/78/72/93/411787293.db2.gz ANXIYJRXXGSGTL-QWHCGFSZSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CCCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723610 411861314 /nfs/dbraw/zinc/86/13/14/411861314.db2.gz QKLAWNSRLSRNTF-QWHCGFSZSA-N 1 1 209.333 2.190 20 30 BEEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC000661860462 411906762 /nfs/dbraw/zinc/90/67/62/411906762.db2.gz ATLCJFHVJDTHHI-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO CC#CC[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000661935740 411917025 /nfs/dbraw/zinc/91/70/25/411917025.db2.gz FRVUQBZARZUMDC-GFCCVEGCSA-N 1 1 246.358 2.069 20 30 BEEDMO N#CC1(C[NH+]2CCC3(CCCC3=O)CC2)CC1 ZINC000661957481 411920439 /nfs/dbraw/zinc/92/04/39/411920439.db2.gz HXBHJJGZEMDMOF-UHFFFAOYSA-N 1 1 232.327 2.125 20 30 BEEDMO C=CCOCC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661978581 411933451 /nfs/dbraw/zinc/93/34/51/411933451.db2.gz MSVVHTPHAQSXMA-CYBMUJFWSA-N 1 1 239.359 2.223 20 30 BEEDMO CC#CC[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661979678 411934460 /nfs/dbraw/zinc/93/44/60/411934460.db2.gz BBLCKTNJOYIELH-LBPRGKRZSA-N 1 1 207.317 2.043 20 30 BEEDMO CC#CCC[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661981078 411934774 /nfs/dbraw/zinc/93/47/74/411934774.db2.gz MIQVJQMLOFDLNK-CYBMUJFWSA-N 1 1 221.344 2.433 20 30 BEEDMO C=CC[N@H+](Cc1cn(CC2CC2)nn1)C(C)(C)C ZINC000661758804 411868399 /nfs/dbraw/zinc/86/83/99/411868399.db2.gz VVJIDABEKPKLPB-UHFFFAOYSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)C(C)(C)C ZINC000661758804 411868405 /nfs/dbraw/zinc/86/84/05/411868405.db2.gz VVJIDABEKPKLPB-UHFFFAOYSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CC[N@H+](CCn1ccnc1C)C(C)(C)C ZINC000661759745 411871190 /nfs/dbraw/zinc/87/11/90/411871190.db2.gz JWXVTCAXDBMGPZ-UHFFFAOYSA-N 1 1 221.348 2.478 20 30 BEEDMO C=CC[N@H+](C[C@@H](O)CCOCC)C(C)(C)C ZINC000661759206 411871986 /nfs/dbraw/zinc/87/19/86/411871986.db2.gz DODMHUPBWXVWHE-LBPRGKRZSA-N 1 1 229.364 2.060 20 30 BEEDMO C[C@H](O)[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000661767004 411877696 /nfs/dbraw/zinc/87/76/96/411877696.db2.gz HZXWKCOFQPZFMC-SWLSCSKDSA-N 1 1 247.313 2.022 20 30 BEEDMO C=CCCCCC[N@H+]1CCC2(COC2)C1 ZINC000662072676 411973727 /nfs/dbraw/zinc/97/37/27/411973727.db2.gz NAPGWWXDQBNHQI-UHFFFAOYSA-N 1 1 209.333 2.455 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC000662083620 411981201 /nfs/dbraw/zinc/98/12/01/411981201.db2.gz HZBIWUMWJQLJGJ-HZSPNIEDSA-N 1 1 248.370 2.179 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncn1C ZINC000662083346 411982384 /nfs/dbraw/zinc/98/23/84/411982384.db2.gz DOBMCOVLEUWQKH-TXEJJXNPSA-N 1 1 217.316 2.103 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@](C)(O)C(F)(F)F ZINC000662089779 411982824 /nfs/dbraw/zinc/98/28/24/411982824.db2.gz FTQQXTGAUNOFAF-AXFHLTTASA-N 1 1 249.276 2.483 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ncn1 ZINC000662089487 411983227 /nfs/dbraw/zinc/98/32/27/411983227.db2.gz AJIKSPBVZZECSD-OKILXGFUSA-N 1 1 229.327 2.468 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(OC)n1 ZINC000662089723 411983791 /nfs/dbraw/zinc/98/37/91/411983791.db2.gz DENAFVPKFGGRAU-BETUJISGSA-N 1 1 245.326 2.168 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCOC1 ZINC000662087970 411983917 /nfs/dbraw/zinc/98/39/17/411983917.db2.gz RMVSSWAECQMFBT-XQQFMLRXSA-N 1 1 207.317 2.348 20 30 BEEDMO 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CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000336107761 535961970 /nfs/dbraw/zinc/96/19/70/535961970.db2.gz XKIKHCDXPPIDDH-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926348 536057756 /nfs/dbraw/zinc/05/77/56/536057756.db2.gz ZBFCSXDHCFMTKD-LLVKDONJSA-N 1 1 233.271 2.377 20 30 BEEDMO C[N@H+](CCC#N)CCCCC1CCOCC1 ZINC000304132555 536298762 /nfs/dbraw/zinc/29/87/62/536298762.db2.gz YWXXPQRSZKSRLO-UHFFFAOYSA-N 1 1 224.348 2.429 20 30 BEEDMO CN1CCC[C@@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000339436902 536381599 /nfs/dbraw/zinc/38/15/99/536381599.db2.gz HMPHSDVVUCCKDT-CQSZACIVSA-N 1 1 235.375 2.098 20 30 BEEDMO CN1CCC[C@@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000339436902 536381601 /nfs/dbraw/zinc/38/16/01/536381601.db2.gz HMPHSDVVUCCKDT-CQSZACIVSA-N 1 1 235.375 2.098 20 30 BEEDMO CO[C@@H](Cc1ccccc1)C[N@H+](C)[C@H](C)CC#N ZINC000296712646 536523102 /nfs/dbraw/zinc/52/31/02/536523102.db2.gz GOZPJWMATPQABX-HIFRSBDPSA-N 1 1 246.354 2.478 20 30 BEEDMO 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BEEDMO C=CC[C@H]1CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000890549015 582470885 /nfs/dbraw/zinc/47/08/85/582470885.db2.gz FJBDPRMGUHORJK-LBPRGKRZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CC[C@H]1CCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000890562515 582478135 /nfs/dbraw/zinc/47/81/35/582478135.db2.gz ABPNAASMAUOECH-STQMWFEESA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000855489930 588838043 /nfs/dbraw/zinc/83/80/43/588838043.db2.gz DGAVZPFJPQUAEH-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CC(C)(C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000891266428 582644736 /nfs/dbraw/zinc/64/47/36/582644736.db2.gz BECHOLHRURFNLD-UHFFFAOYSA-N 1 1 235.331 2.087 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000113509551 588842433 /nfs/dbraw/zinc/84/24/33/588842433.db2.gz JTFPZRGLXRPEOH-SNVBAGLBSA-N 1 1 203.713 2.097 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H]1C[C@]1(C)Br ZINC000891805215 582724707 /nfs/dbraw/zinc/72/47/07/582724707.db2.gz FOXDZTAECIQQJI-UWVGGRQHSA-N 1 1 230.149 2.115 20 30 BEEDMO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCCO1 ZINC000891915038 582736865 /nfs/dbraw/zinc/73/68/65/582736865.db2.gz FENVNNQMVBHFJN-SNVBAGLBSA-N 1 1 236.340 2.231 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCCO1 ZINC000891915038 582736868 /nfs/dbraw/zinc/73/68/68/582736868.db2.gz FENVNNQMVBHFJN-SNVBAGLBSA-N 1 1 236.340 2.231 20 30 BEEDMO Clc1csc(C=NNc2cc[nH+]cc2)n1 ZINC000779809030 582738598 /nfs/dbraw/zinc/73/85/98/582738598.db2.gz RKIOCVMFAOJMEU-UHFFFAOYSA-N 1 1 238.703 2.059 20 30 BEEDMO C=C1CC[NH+](Cc2c3c(nn2C)CCC3)CC1 ZINC000891942433 582741949 /nfs/dbraw/zinc/74/19/49/582741949.db2.gz HQNLEFGMOFCYJI-UHFFFAOYSA-N 1 1 231.343 2.061 20 30 BEEDMO COC(C)(C)C[N@@H+](C)Cc1csc(C#N)c1 ZINC000892225108 582809363 /nfs/dbraw/zinc/80/93/63/582809363.db2.gz MGLQSPGFMIXVTK-UHFFFAOYSA-N 1 1 238.356 2.477 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000848923556 582815556 /nfs/dbraw/zinc/81/55/56/582815556.db2.gz NCEKGOPFDGJJJU-ZDUSSCGKSA-N 1 1 245.370 2.483 20 30 BEEDMO CC[N@@H+](CCNCC#Cc1ccccc1)C(C)C ZINC000892799716 582985672 /nfs/dbraw/zinc/98/56/72/582985672.db2.gz BYIGQFXOHHPUFY-UHFFFAOYSA-N 1 1 244.382 2.358 20 30 BEEDMO C=C(C)CNc1[nH+]cnc2[nH]cc(CC)c21 ZINC000893259195 583079718 /nfs/dbraw/zinc/07/97/18/583079718.db2.gz OVCCRSMBTZYRFN-UHFFFAOYSA-N 1 1 216.288 2.460 20 30 BEEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1csc(C#N)c1 ZINC000893668723 583192391 /nfs/dbraw/zinc/19/23/91/583192391.db2.gz HIEFZTRFUPQHKD-GHMZBOCLSA-N 1 1 249.383 2.144 20 30 BEEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000893670047 583192481 /nfs/dbraw/zinc/19/24/81/583192481.db2.gz YBAYPKAPNLGDFH-QWRGUYRKSA-N 1 1 249.383 2.144 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1 ZINC000857060894 588884909 /nfs/dbraw/zinc/88/49/09/588884909.db2.gz FUQPQNWIFWMQCZ-CZUORRHYSA-N 1 1 243.350 2.118 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)c(C)c1 ZINC000894059023 583291718 /nfs/dbraw/zinc/29/17/18/583291718.db2.gz BYZOPADOPHROCX-GFCCVEGCSA-N 1 1 245.322 2.235 20 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C=C(Cl)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000726843427 583378109 /nfs/dbraw/zinc/37/81/09/583378109.db2.gz DPISMTYMACFQLN-QMMMGPOBSA-N 1 1 231.723 2.012 20 30 BEEDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000878686549 583394045 /nfs/dbraw/zinc/39/40/45/583394045.db2.gz YNTAVEWOTKYVGI-SNVBAGLBSA-N 1 1 244.298 2.218 20 30 BEEDMO C#CC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000738337343 583418472 /nfs/dbraw/zinc/41/84/72/583418472.db2.gz BHXMVXSICOUJJA-JTQLQIEISA-N 1 1 203.260 2.378 20 30 BEEDMO C#CC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000738337343 583418475 /nfs/dbraw/zinc/41/84/75/583418475.db2.gz BHXMVXSICOUJJA-JTQLQIEISA-N 1 1 203.260 2.378 20 30 BEEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894383643 583442551 /nfs/dbraw/zinc/44/25/51/583442551.db2.gz MZHNSLOHFNKSAL-SSDOTTSWSA-N 1 1 223.707 2.052 20 30 BEEDMO C#CC[N@@H+](Cc1cnc2onc(C)c2c1)C1CC1 ZINC000894472563 583468040 /nfs/dbraw/zinc/46/80/40/583468040.db2.gz YLMQHEWLGAGNDT-UHFFFAOYSA-N 1 1 241.294 2.129 20 30 BEEDMO C#CC[N@H+](Cc1cnc2onc(C)c2c1)C1CC1 ZINC000894472563 583468041 /nfs/dbraw/zinc/46/80/41/583468041.db2.gz YLMQHEWLGAGNDT-UHFFFAOYSA-N 1 1 241.294 2.129 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(SC)o1 ZINC000894574169 583486677 /nfs/dbraw/zinc/48/66/77/583486677.db2.gz OXMLEBAGPCTMJD-VIFPVBQESA-N 1 1 209.314 2.455 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(SC)o1 ZINC000894574169 583486678 /nfs/dbraw/zinc/48/66/78/583486678.db2.gz OXMLEBAGPCTMJD-VIFPVBQESA-N 1 1 209.314 2.455 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000115548839 588908655 /nfs/dbraw/zinc/90/86/55/588908655.db2.gz SGCJPIMNYDXGEY-LBPRGKRZSA-N 1 1 227.348 2.452 20 30 BEEDMO N#Cc1cc(C[NH+]2CC3(C2)CCCOC3)cs1 ZINC000894828124 583527093 /nfs/dbraw/zinc/52/70/93/583527093.db2.gz KZXFYYVSTKHNET-UHFFFAOYSA-N 1 1 248.351 2.232 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)ccnc2N)C1 ZINC000895077442 583581307 /nfs/dbraw/zinc/58/13/07/583581307.db2.gz GGJFSSPJNSAARS-CYBMUJFWSA-N 1 1 243.354 2.208 20 30 BEEDMO 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IROYMNMNTSYCJU-UHFFFAOYSA-N 1 1 239.318 2.080 20 30 BEEDMO C[NH+]1CCN(N=Cc2coc3ccccc23)CC1 ZINC000746557507 585169989 /nfs/dbraw/zinc/16/99/89/585169989.db2.gz GMRXTIGMOIZZBW-UHFFFAOYSA-N 1 1 243.310 2.014 20 30 BEEDMO C=CC[N@@H+](Cc1cnc(C)cn1)C(C)C ZINC000749440697 585202385 /nfs/dbraw/zinc/20/23/85/585202385.db2.gz LFOPLKNLLIJEPP-UHFFFAOYSA-N 1 1 205.305 2.181 20 30 BEEDMO C[C@H]1C[N@H+](C)CC1=NNCCCc1ccccc1 ZINC000752166079 585243144 /nfs/dbraw/zinc/24/31/44/585243144.db2.gz XBQQFJFQIPLFEJ-ZDUSSCGKSA-N 1 1 245.370 2.146 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1=NNCCCc1ccccc1 ZINC000752166079 585243145 /nfs/dbraw/zinc/24/31/45/585243145.db2.gz XBQQFJFQIPLFEJ-ZDUSSCGKSA-N 1 1 245.370 2.146 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(Cl)nc1 ZINC000752165288 585243278 /nfs/dbraw/zinc/24/32/78/585243278.db2.gz IEBMEWXAVBENRP-QMMMGPOBSA-N 1 1 238.722 2.084 20 30 BEEDMO C[C@H]1CC(=NNC2CCCC2)C[N@@H+]1C1CC1 ZINC000753959424 585273393 /nfs/dbraw/zinc/27/33/93/585273393.db2.gz IGCLNMUWLYYNOD-JTQLQIEISA-N 1 1 221.348 2.131 20 30 BEEDMO C[C@H]1CC(=NNC2CCCC2)C[N@H+]1C1CC1 ZINC000753959424 585273394 /nfs/dbraw/zinc/27/33/94/585273394.db2.gz IGCLNMUWLYYNOD-JTQLQIEISA-N 1 1 221.348 2.131 20 30 BEEDMO C=CCCC(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000753960823 585273619 /nfs/dbraw/zinc/27/36/19/585273619.db2.gz MVNSVWVLYREGPC-SNVBAGLBSA-N 1 1 222.288 2.089 20 30 BEEDMO CCC(CC)NN=C1C[N@H+](C(C)C)C[C@H]1C ZINC000754256547 585281178 /nfs/dbraw/zinc/28/11/78/585281178.db2.gz BFNOGYSZOIYHLA-LLVKDONJSA-N 1 1 225.380 2.481 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@@H](CO)CC(C)C ZINC000839558590 585331068 /nfs/dbraw/zinc/33/10/68/585331068.db2.gz CVUQKNYZNKPFGW-SNVBAGLBSA-N 1 1 205.729 2.078 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](CCCCCCO)C1CC1 ZINC000754369613 585283369 /nfs/dbraw/zinc/28/33/69/585283369.db2.gz VPUUZJYXPVJMCU-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C#CC[N@H+](CC#CC)CCN(C)c1ccccc1 ZINC000754663509 585288902 /nfs/dbraw/zinc/28/89/02/585288902.db2.gz AIUUJSOMTARBEM-UHFFFAOYSA-N 1 1 240.350 2.081 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCN(C)c1ccccc1 ZINC000754663509 585288903 /nfs/dbraw/zinc/28/89/03/585288903.db2.gz AIUUJSOMTARBEM-UHFFFAOYSA-N 1 1 240.350 2.081 20 30 BEEDMO COc1cc(C)cc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000754726427 585289912 /nfs/dbraw/zinc/28/99/12/585289912.db2.gz HYBKBNJDGYYZMK-NSHDSACASA-N 1 1 248.326 2.443 20 30 BEEDMO COc1cc(C)cc(C[N@@H+](C)[C@@H](C)CC#N)c1O ZINC000754726427 585289913 /nfs/dbraw/zinc/28/99/13/585289913.db2.gz HYBKBNJDGYYZMK-NSHDSACASA-N 1 1 248.326 2.443 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(F)cn1 ZINC000755893189 585309455 /nfs/dbraw/zinc/30/94/55/585309455.db2.gz IYZHKDCZIFSPJH-SECBINFHSA-N 1 1 248.305 2.103 20 30 BEEDMO C=CC[N@@H+](CN1C[C@H](CC)CC1=O)C(C)C ZINC000755911944 585310248 /nfs/dbraw/zinc/31/02/48/585310248.db2.gz GPTVJGYSLVBDMO-GFCCVEGCSA-N 1 1 224.348 2.099 20 30 BEEDMO C=CC[N@H+](CN1C[C@H](CC)CC1=O)C(C)C ZINC000755911944 585310249 /nfs/dbraw/zinc/31/02/49/585310249.db2.gz GPTVJGYSLVBDMO-GFCCVEGCSA-N 1 1 224.348 2.099 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1CCCCC1 ZINC000756545570 585320937 /nfs/dbraw/zinc/32/09/37/585320937.db2.gz ZBHOZSMLZSURHQ-CQSZACIVSA-N 1 1 249.354 2.208 20 30 BEEDMO C#CCCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839583893 585331091 /nfs/dbraw/zinc/33/10/91/585331091.db2.gz BCCAHJPPJSZDSG-UHFFFAOYSA-N 1 1 239.750 2.227 20 30 BEEDMO C#CCCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839583893 585331092 /nfs/dbraw/zinc/33/10/92/585331092.db2.gz BCCAHJPPJSZDSG-UHFFFAOYSA-N 1 1 239.750 2.227 20 30 BEEDMO C=C(Cl)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000839588154 585331418 /nfs/dbraw/zinc/33/14/18/585331418.db2.gz LOZYVGFNICNBAH-JTQLQIEISA-N 1 1 217.740 2.222 20 30 BEEDMO CC[N@H+](CCC#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607601 585331805 /nfs/dbraw/zinc/33/18/05/585331805.db2.gz YRLVWYTUONEXRG-GXTWGEPZSA-N 1 1 232.327 2.344 20 30 BEEDMO CC[N@@H+](CCC#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607601 585331806 /nfs/dbraw/zinc/33/18/06/585331806.db2.gz YRLVWYTUONEXRG-GXTWGEPZSA-N 1 1 232.327 2.344 20 30 BEEDMO C[NH+]1CCN(N=C2CCCCC2(C)C)CC1 ZINC000757561993 585341873 /nfs/dbraw/zinc/34/18/73/585341873.db2.gz SCWPKOJKXWCXIA-UHFFFAOYSA-N 1 1 223.364 2.190 20 30 BEEDMO C[N@H+]1CCCC(=NO[C@H]2CCCCO2)CC1 ZINC000758116893 585349377 /nfs/dbraw/zinc/34/93/77/585349377.db2.gz CDQDKZAPBZEMGP-LBPRGKRZSA-N 1 1 226.320 2.001 20 30 BEEDMO C#CCCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000758870269 585361036 /nfs/dbraw/zinc/36/10/36/585361036.db2.gz QYJJAWKGNDOPBC-UHFFFAOYSA-N 1 1 244.342 2.292 20 30 BEEDMO CCCCCC[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000759364409 585371327 /nfs/dbraw/zinc/37/13/27/585371327.db2.gz ZMNIHMVZMJPJCF-OLZOCXBDSA-N 1 1 226.364 2.409 20 30 BEEDMO CCCCCC[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000759364409 585371328 /nfs/dbraw/zinc/37/13/28/585371328.db2.gz ZMNIHMVZMJPJCF-OLZOCXBDSA-N 1 1 226.364 2.409 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000759400179 585372025 /nfs/dbraw/zinc/37/20/25/585372025.db2.gz OQAOODHJHDXQJQ-UHFFFAOYSA-N 1 1 231.339 2.385 20 30 BEEDMO CCCCCCCC[N@@H+](C)[C@H]1CCNC1=O ZINC000759435534 585373186 /nfs/dbraw/zinc/37/31/86/585373186.db2.gz IHENWLMVAJSGFG-LBPRGKRZSA-N 1 1 226.364 2.167 20 30 BEEDMO C#CCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000760829282 585398536 /nfs/dbraw/zinc/39/85/36/585398536.db2.gz CFHJQPJJZCYVLN-OAHLLOKOSA-N 1 1 229.323 2.473 20 30 BEEDMO C#CCC[N@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000760842749 585399251 /nfs/dbraw/zinc/39/92/51/585399251.db2.gz AKGVXLQUAJCAHC-NEPJUHHUSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CCC[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000760842023 585399380 /nfs/dbraw/zinc/39/93/80/585399380.db2.gz UQEZFOLKTOGGPI-AAEUAGOBSA-N 1 1 209.333 2.145 20 30 BEEDMO C=CCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000805218507 585403696 /nfs/dbraw/zinc/40/36/96/585403696.db2.gz BQFRLDNFLVPWPF-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccc(OCC)cc1 ZINC000761107057 585409708 /nfs/dbraw/zinc/40/97/08/585409708.db2.gz CQVNGVNWFNZWGS-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000761108324 585409715 /nfs/dbraw/zinc/40/97/15/585409715.db2.gz KPGAZVJXSUPGLU-GFCCVEGCSA-N 1 1 235.302 2.468 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000761108326 585409936 /nfs/dbraw/zinc/40/99/36/585409936.db2.gz KPGAZVJXSUPGLU-LBPRGKRZSA-N 1 1 235.302 2.468 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000761115553 585410700 /nfs/dbraw/zinc/41/07/00/585410700.db2.gz UCVCAAUHDKQHRJ-UHFFFAOYSA-N 1 1 237.730 2.422 20 30 BEEDMO C[C@H]1CC(N=Nc2ccc(F)cc2)C[N@H+]1C ZINC000761794075 585418690 /nfs/dbraw/zinc/41/86/90/585418690.db2.gz RQNVZQCVVRQSKK-VIFPVBQESA-N 1 1 221.279 2.318 20 30 BEEDMO C[C@H]1CC(=NOCc2ccccc2)C[N@H+]1C ZINC000761805027 585418876 /nfs/dbraw/zinc/41/88/76/585418876.db2.gz WBSRELFFGRRVRO-NSHDSACASA-N 1 1 218.300 2.283 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccccc2F)C[N@H+]1C ZINC000761803523 585419012 /nfs/dbraw/zinc/41/90/12/585419012.db2.gz CFIVZYVVKGRCEH-SECBINFHSA-N 1 1 221.279 2.318 20 30 BEEDMO C#CCCC[N@H+](CCC)CCN(CC)CC ZINC000763931183 585457467 /nfs/dbraw/zinc/45/74/67/585457467.db2.gz DJFHSSBLBUDSNL-UHFFFAOYSA-N 1 1 224.392 2.454 20 30 BEEDMO C#CCCCN(CCC)CC[NH+](CC)CC ZINC000763931183 585457468 /nfs/dbraw/zinc/45/74/68/585457468.db2.gz DJFHSSBLBUDSNL-UHFFFAOYSA-N 1 1 224.392 2.454 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(OCC)cn1)C1CC1 ZINC000763949979 585457624 /nfs/dbraw/zinc/45/76/24/585457624.db2.gz NNDIOHMZLYCLCM-UHFFFAOYSA-N 1 1 230.311 2.078 20 30 BEEDMO C#CC[N@H+](Cc1ccc(OCC)cn1)C1CC1 ZINC000763949979 585457625 /nfs/dbraw/zinc/45/76/25/585457625.db2.gz NNDIOHMZLYCLCM-UHFFFAOYSA-N 1 1 230.311 2.078 20 30 BEEDMO C#CC[N@H+](CCOc1cccc(F)c1)C1CC1 ZINC000763955004 585457894 /nfs/dbraw/zinc/45/78/94/585457894.db2.gz FXZIUEHQYYCCHH-UHFFFAOYSA-N 1 1 233.286 2.302 20 30 BEEDMO C#CCC[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764242079 585462725 /nfs/dbraw/zinc/46/27/25/585462725.db2.gz VJTQTDFHMSBOIK-HNNXBMFYSA-N 1 1 231.339 2.374 20 30 BEEDMO C#CCC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764242081 585462763 /nfs/dbraw/zinc/46/27/63/585462763.db2.gz VJTQTDFHMSBOIK-OAHLLOKOSA-N 1 1 231.339 2.374 20 30 BEEDMO C[NH+]1CCN(N=CC2CCC(C)(C)CC2)CC1 ZINC000764650337 585469429 /nfs/dbraw/zinc/46/94/29/585469429.db2.gz VOMAZFMKEPFFMJ-UHFFFAOYSA-N 1 1 237.391 2.436 20 30 BEEDMO CC(CCCC(C)C)=NN1CC[NH+](C)CC1 ZINC000764648742 585470023 /nfs/dbraw/zinc/47/00/23/585470023.db2.gz JAWZIRSPTIMZAG-UHFFFAOYSA-N 1 1 225.380 2.436 20 30 BEEDMO C#CCCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765004864 585479394 /nfs/dbraw/zinc/47/93/94/585479394.db2.gz BVJCTZJSSFELQX-HNNXBMFYSA-N 1 1 228.339 2.359 20 30 BEEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765549471 585489747 /nfs/dbraw/zinc/48/97/47/585489747.db2.gz WDGSGERHBSJSSX-ZDUSSCGKSA-N 1 1 233.290 2.462 20 30 BEEDMO N#Cc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765573737 585490090 /nfs/dbraw/zinc/49/00/90/585490090.db2.gz QJLVMRMFWSZDFY-CQSZACIVSA-N 1 1 240.310 2.194 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc2nsnc21 ZINC000766043226 585496864 /nfs/dbraw/zinc/49/68/64/585496864.db2.gz HKKOJAGYIIOHIL-SECBINFHSA-N 1 1 246.339 2.283 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc2nsnc21 ZINC000766043226 585496865 /nfs/dbraw/zinc/49/68/65/585496865.db2.gz HKKOJAGYIIOHIL-SECBINFHSA-N 1 1 246.339 2.283 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000766664001 585504868 /nfs/dbraw/zinc/50/48/68/585504868.db2.gz PWXFALIIYGVSGH-NSHDSACASA-N 1 1 233.311 2.163 20 30 BEEDMO C#CCCC[N@H+]1CCOC2(CCCC2)C1 ZINC000766905936 585509203 /nfs/dbraw/zinc/50/92/03/585509203.db2.gz NLAKVMYEWZBZMD-UHFFFAOYSA-N 1 1 207.317 2.045 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000766895461 585509272 /nfs/dbraw/zinc/50/92/72/585509272.db2.gz KBGXQTVZRXNHQP-CQSZACIVSA-N 1 1 243.354 2.378 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000766903207 585510756 /nfs/dbraw/zinc/51/07/56/585510756.db2.gz AQCUGLDPSZFTAC-AWEZNQCLSA-N 1 1 231.343 2.279 20 30 BEEDMO C#CCCC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000766906015 585511029 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C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000820728607 587069291 /nfs/dbraw/zinc/06/92/91/587069291.db2.gz NNFRPEPOPAUMES-CHWSQXEVSA-N 1 1 238.375 2.141 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H](C/C=C/C)C1 ZINC000860185665 589088029 /nfs/dbraw/zinc/08/80/29/589088029.db2.gz RTKGTKJGKLAIAV-KQIUPUNMSA-N 1 1 221.344 2.314 20 30 BEEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CCC(=O)O1 ZINC000821343316 587109522 /nfs/dbraw/zinc/10/95/22/587109522.db2.gz WFVASCFBIMEDGV-CQSZACIVSA-N 1 1 245.322 2.380 20 30 BEEDMO C#CCCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000860173374 589086141 /nfs/dbraw/zinc/08/61/41/589086141.db2.gz XYELMKTUEHNMHD-UHFFFAOYSA-N 1 1 233.286 2.434 20 30 BEEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000823063779 587200727 /nfs/dbraw/zinc/20/07/27/587200727.db2.gz BWNFNBYUMCQSCV-VIFPVBQESA-N 1 1 232.243 2.023 20 30 BEEDMO C=C(Cl)CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000823185224 587206896 /nfs/dbraw/zinc/20/68/96/587206896.db2.gz PVMCVVCFFCIZRE-LLVKDONJSA-N 1 1 216.756 2.011 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(C)cc1OC ZINC000823419113 587220845 /nfs/dbraw/zinc/22/08/45/587220845.db2.gz RUDOJEBNIYTCOI-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C#CCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000823503826 587228102 /nfs/dbraw/zinc/22/81/02/587228102.db2.gz YRZXWDRBVSVZRI-CQSZACIVSA-N 1 1 237.343 2.063 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cccc(C)c1F)[C@H]1CCCO1 ZINC000824195884 587259640 /nfs/dbraw/zinc/25/96/40/587259640.db2.gz MFKUSIGAEFVWIJ-ZIAGYGMSSA-N 1 1 247.313 2.405 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cccc(C)c1F)[C@@H]1CCCO1 ZINC000824195881 587259913 /nfs/dbraw/zinc/25/99/13/587259913.db2.gz MFKUSIGAEFVWIJ-KBPBESRZSA-N 1 1 247.313 2.405 20 30 BEEDMO CCOC(=O)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000824271225 587264217 /nfs/dbraw/zinc/26/42/17/587264217.db2.gz HDXJCVNBARFASD-ZBOXLXRLSA-N 1 1 238.331 2.000 20 30 BEEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1coc(C2CC2)n1 ZINC000824952450 587294547 /nfs/dbraw/zinc/29/45/47/587294547.db2.gz APZBGEQLBDILQT-OLZOCXBDSA-N 1 1 248.326 2.375 20 30 BEEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C(=O)OCC ZINC000825117532 587305293 /nfs/dbraw/zinc/30/52/93/587305293.db2.gz GOZYXLINZVCHCQ-TUAOUCFPSA-N 1 1 225.332 2.272 20 30 BEEDMO C#Cc1cccc(C[NH2+]C2CCN(CC)CC2)c1 ZINC000825227719 587310483 /nfs/dbraw/zinc/31/04/83/587310483.db2.gz YZGDYQCENKFPRT-UHFFFAOYSA-N 1 1 242.366 2.242 20 30 BEEDMO C#Cc1cccc(CNC2CC[NH+](CC)CC2)c1 ZINC000825227719 587310485 /nfs/dbraw/zinc/31/04/85/587310485.db2.gz YZGDYQCENKFPRT-UHFFFAOYSA-N 1 1 242.366 2.242 20 30 BEEDMO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000827649065 587394268 /nfs/dbraw/zinc/39/42/68/587394268.db2.gz HFQURUDYWGKKGI-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO COc1ccc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000827649065 587394269 /nfs/dbraw/zinc/39/42/69/587394269.db2.gz HFQURUDYWGKKGI-CQSZACIVSA-N 1 1 246.310 2.136 20 30 BEEDMO C=CCCCCC[N@H+](C)CC[S@@](C)=O ZINC000827878563 587406814 /nfs/dbraw/zinc/40/68/14/587406814.db2.gz ZRAHPUDQWQHYBE-CQSZACIVSA-N 1 1 217.378 2.043 20 30 BEEDMO C#CCN(CC)CC[N@@H+](C)Cc1ccccc1 ZINC000827990861 587415455 /nfs/dbraw/zinc/41/54/55/587415455.db2.gz LFZZKVYSXLKIMV-UHFFFAOYSA-N 1 1 230.355 2.074 20 30 BEEDMO C#CC[N@H+](CC)CCN(C)Cc1ccccc1 ZINC000827990861 587415457 /nfs/dbraw/zinc/41/54/57/587415457.db2.gz LFZZKVYSXLKIMV-UHFFFAOYSA-N 1 1 230.355 2.074 20 30 BEEDMO C#CC[N@@H+](CC)CCN(C)Cc1ccccc1 ZINC000827990861 587415458 /nfs/dbraw/zinc/41/54/58/587415458.db2.gz LFZZKVYSXLKIMV-UHFFFAOYSA-N 1 1 230.355 2.074 20 30 BEEDMO C=CCCCC[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000828030569 587417217 /nfs/dbraw/zinc/41/72/17/587417217.db2.gz FPBHNJQSTLSFDH-RYUDHWBXSA-N 1 1 225.332 2.084 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000828434090 587441995 /nfs/dbraw/zinc/44/19/95/587441995.db2.gz MDDBGROETQWVSS-GFCCVEGCSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCCN(C)c1ccccc1 ZINC000828433795 587442197 /nfs/dbraw/zinc/44/21/97/587442197.db2.gz BGZOINSTNVJQKU-CQSZACIVSA-N 1 1 230.355 2.466 20 30 BEEDMO CN(C)c1cc[nH+]c(N[C@H]2CC[C@@H](CC#N)C2)n1 ZINC000828688024 587457441 /nfs/dbraw/zinc/45/74/41/587457441.db2.gz QTJYPNPHZHVSAP-QWRGUYRKSA-N 1 1 245.330 2.037 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)OCCCC)C1 ZINC000829773583 587515334 /nfs/dbraw/zinc/51/53/34/587515334.db2.gz GHFJQSACDUPSCV-CYBMUJFWSA-N 1 1 237.343 2.065 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)OCCCC)C1 ZINC000829773583 587515336 /nfs/dbraw/zinc/51/53/36/587515336.db2.gz GHFJQSACDUPSCV-CYBMUJFWSA-N 1 1 237.343 2.065 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)OCC)C1 ZINC000829783707 587515740 /nfs/dbraw/zinc/51/57/40/587515740.db2.gz AXYLJSNKKDLJFQ-OLZOCXBDSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2nccn2CC)C1 ZINC000829783868 587515906 /nfs/dbraw/zinc/51/59/06/587515906.db2.gz CPDQIHFUTAZGLO-ZDUSSCGKSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000829785151 587516376 /nfs/dbraw/zinc/51/63/76/587516376.db2.gz RGXNKEKEYKHSQW-CQSZACIVSA-N 1 1 223.360 2.274 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000829785259 587516526 /nfs/dbraw/zinc/51/65/26/587516526.db2.gz STBPDCGMHJJDML-CYBMUJFWSA-N 1 1 214.312 2.317 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000829789136 587516626 /nfs/dbraw/zinc/51/66/26/587516626.db2.gz OLHVNMWCKMVAEF-ZIAGYGMSSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000829810216 587518401 /nfs/dbraw/zinc/51/84/01/587518401.db2.gz NANUPDQUTYCFMH-BFHYXJOUSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000829809754 587518414 /nfs/dbraw/zinc/51/84/14/587518414.db2.gz GPUINUCCHOYZLY-MNOVXSKESA-N 1 1 249.276 2.035 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnc(C)n2)C1 ZINC000829810368 587518568 /nfs/dbraw/zinc/51/85/68/587518568.db2.gz OUPBPCLXBPIKJK-CYBMUJFWSA-N 1 1 229.327 2.020 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)C(C)C)C1 ZINC000829816107 587519853 /nfs/dbraw/zinc/51/98/53/587519853.db2.gz ZKDALSQRDCBQHN-ZDUSSCGKSA-N 1 1 221.344 2.337 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000829815217 587519885 /nfs/dbraw/zinc/51/98/85/587519885.db2.gz HKQLBBAJNHTKAF-GHMZBOCLSA-N 1 1 249.276 2.035 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000830396843 587549733 /nfs/dbraw/zinc/54/97/33/587549733.db2.gz VTHIOEQKDZZUMG-HZPDHXFCSA-N 1 1 243.350 2.078 20 30 BEEDMO C=C1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC000830985109 587580025 /nfs/dbraw/zinc/58/00/25/587580025.db2.gz KXZPVWCCAMAFIJ-UHFFFAOYSA-N 1 1 247.342 2.054 20 30 BEEDMO C=C(Br)C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000831528398 587616709 /nfs/dbraw/zinc/61/67/09/587616709.db2.gz PDSCWHFHCAPVJS-SCZZXKLOSA-N 1 1 248.164 2.252 20 30 BEEDMO C=C(Br)C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000831528398 587616710 /nfs/dbraw/zinc/61/67/10/587616710.db2.gz PDSCWHFHCAPVJS-SCZZXKLOSA-N 1 1 248.164 2.252 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832048316 587644031 /nfs/dbraw/zinc/64/40/31/587644031.db2.gz MXJMFKHADFILAV-KGLIPLIRSA-N 1 1 249.354 2.017 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1[C@@H](C)CCC1(C)C ZINC000832565224 587666338 /nfs/dbraw/zinc/66/63/38/587666338.db2.gz POLGJFVBDOQHCE-QWRGUYRKSA-N 1 1 210.321 2.178 20 30 BEEDMO C=CC(C)(C)CCCNC(=O)C[N@H+](C)C(C)C ZINC000832725405 587679956 /nfs/dbraw/zinc/67/99/56/587679956.db2.gz CVPXFYWYWBQELI-UHFFFAOYSA-N 1 1 240.391 2.435 20 30 BEEDMO Fc1cc(N[NH2+]C=C2CC2(F)F)ccn1 ZINC000834972727 587774596 /nfs/dbraw/zinc/77/45/96/587774596.db2.gz FGAYVPDXMAEWAY-LURJTMIESA-N 1 1 215.178 2.274 20 30 BEEDMO Cc1ccc(CNN=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000835009470 587777599 /nfs/dbraw/zinc/77/75/99/587777599.db2.gz WXULTOOIAYBOJJ-OAHLLOKOSA-N 1 1 243.354 2.309 20 30 BEEDMO C[C@H]1CC(=NNCc2ccccc2F)CC[N@H+]1C ZINC000835011320 587777705 /nfs/dbraw/zinc/77/77/05/587777705.db2.gz LODYNJUPUVCPGZ-NSHDSACASA-N 1 1 249.333 2.385 20 30 BEEDMO CN(C)c1ccc(/C=C\C[NH2+]CCC#N)cc1 ZINC000835051044 587779773 /nfs/dbraw/zinc/77/97/73/587779773.db2.gz ALEZMFJHKPBYTD-HYXAFXHYSA-N 1 1 229.327 2.269 20 30 BEEDMO CC(C)CC[C@@H]1CCCC1N=NC1=[NH+]CCN1 ZINC000841658562 587968623 /nfs/dbraw/zinc/96/86/23/587968623.db2.gz FYCHWJINSHHXIS-NSHDSACASA-N 1 1 236.363 2.128 20 30 BEEDMO CC(N=NC1=[NH+]CCN1)[C@@H](C)C1CCCCC1 ZINC000841658432 587968626 /nfs/dbraw/zinc/96/86/26/587968626.db2.gz AJXRWTXLTQHSIQ-SNVBAGLBSA-N 1 1 236.363 2.128 20 30 BEEDMO N#CCC[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843083102 588080724 /nfs/dbraw/zinc/08/07/24/588080724.db2.gz GADQRCLNDMBBHO-SNVBAGLBSA-N 1 1 242.681 2.016 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnn(CC)c2)C1 ZINC000843423992 588108023 /nfs/dbraw/zinc/10/80/23/588108023.db2.gz NNTZRXYSBIXNNS-CYBMUJFWSA-N 1 1 231.343 2.138 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](C)COC)C1 ZINC000843422380 588108037 /nfs/dbraw/zinc/10/80/37/588108037.db2.gz DZWLCRHAIOZOBB-QWHCGFSZSA-N 1 1 209.333 2.004 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372864 588188450 /nfs/dbraw/zinc/18/84/50/588188450.db2.gz HKPSJIBANNXTKE-AWEZNQCLSA-N 1 1 249.741 2.257 20 30 BEEDMO C#CCCC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000844421280 588190935 /nfs/dbraw/zinc/19/09/35/588190935.db2.gz GAJRRUBXSPWFCD-LBPRGKRZSA-N 1 1 207.317 2.043 20 30 BEEDMO C=C(C)CON=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000844618910 588208643 /nfs/dbraw/zinc/20/86/43/588208643.db2.gz NJPKOLJSGHGBAH-NSHDSACASA-N 1 1 210.321 2.295 20 30 BEEDMO C=C[C@H](C)O[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000844624363 588210778 /nfs/dbraw/zinc/21/07/78/588210778.db2.gz LMHAYMKJNUBCCR-NSHDSACASA-N 1 1 246.314 2.002 20 30 BEEDMO CC[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011772 588253547 /nfs/dbraw/zinc/25/35/47/588253547.db2.gz ZBMNSWXDQFJBBN-KGLIPLIRSA-N 1 1 249.402 2.390 20 30 BEEDMO N#CC1CC[NH+](CC2(Br)CC2)CC1 ZINC000846788798 588288425 /nfs/dbraw/zinc/28/84/25/588288425.db2.gz HCCHEUNSTFPKKH-UHFFFAOYSA-N 1 1 243.148 2.149 20 30 BEEDMO C#CCC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000846966562 588298924 /nfs/dbraw/zinc/29/89/24/588298924.db2.gz CBGXTUYJHVFSQD-CYBMUJFWSA-N 1 1 214.312 2.203 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847006103 588301346 /nfs/dbraw/zinc/30/13/46/588301346.db2.gz VMPXKFVADQUXRL-LBPRGKRZSA-N 1 1 246.310 2.113 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(C)=O)no2)C1 ZINC000847006103 588301347 /nfs/dbraw/zinc/30/13/47/588301347.db2.gz VMPXKFVADQUXRL-LBPRGKRZSA-N 1 1 246.310 2.113 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2CC(OCC)C2)C1 ZINC000847019932 588301735 /nfs/dbraw/zinc/30/17/35/588301735.db2.gz SWWPTHJDAHIZIU-HSBZDZAISA-N 1 1 221.344 2.147 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000847019467 588302026 /nfs/dbraw/zinc/30/20/26/588302026.db2.gz QSFWQSWVXBEOKD-CYBMUJFWSA-N 1 1 224.307 2.403 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000847021571 588302600 /nfs/dbraw/zinc/30/26/00/588302600.db2.gz NTKCODHKIDMTGR-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000847021571 588302601 /nfs/dbraw/zinc/30/26/01/588302601.db2.gz NTKCODHKIDMTGR-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000847023228 588303222 /nfs/dbraw/zinc/30/32/22/588303222.db2.gz BMFJSUBAGXTKMG-GOEBONIOSA-N 1 1 243.350 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000847023230 588303347 /nfs/dbraw/zinc/30/33/47/588303347.db2.gz BMFJSUBAGXTKMG-HOCLYGCPSA-N 1 1 243.350 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000847028680 588304158 /nfs/dbraw/zinc/30/41/58/588304158.db2.gz JZMYEVFMUSYGFW-AWEZNQCLSA-N 1 1 229.323 2.411 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCc2cccc(C)n2)C1 ZINC000847033668 588304556 /nfs/dbraw/zinc/30/45/56/588304556.db2.gz FZLWGUQVKXAEGD-AWEZNQCLSA-N 1 1 228.339 2.278 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000847032976 588304559 /nfs/dbraw/zinc/30/45/59/588304559.db2.gz ZMCBCWQSSWITDL-DOMZBBRYSA-N 1 1 247.313 2.204 20 30 BEEDMO C#CCC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847105941 588306320 /nfs/dbraw/zinc/30/63/20/588306320.db2.gz PCRJTNZVVWZWCP-CYBMUJFWSA-N 1 1 221.344 2.433 20 30 BEEDMO C#CC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847101638 588306420 /nfs/dbraw/zinc/30/64/20/588306420.db2.gz WCDULYFHFIEUFN-GFCCVEGCSA-N 1 1 207.317 2.043 20 30 BEEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)CCCCC#N ZINC000847656395 588323910 /nfs/dbraw/zinc/32/39/10/588323910.db2.gz CEYWALJLYDSGPS-LLVKDONJSA-N 1 1 249.314 2.207 20 30 BEEDMO CC(C)CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408269 588379119 /nfs/dbraw/zinc/37/91/19/588379119.db2.gz ZOWIVKRCUVAXJM-ZDUSSCGKSA-N 1 1 223.364 2.236 20 30 BEEDMO FC(F)(F)CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408701 588379194 /nfs/dbraw/zinc/37/91/94/588379194.db2.gz WMCUXPIHBTZULE-JTQLQIEISA-N 1 1 249.280 2.143 20 30 BEEDMO C(ON=C1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000848409520 588379555 /nfs/dbraw/zinc/37/95/55/588379555.db2.gz BECJMMYVJBXEJR-CYBMUJFWSA-N 1 1 222.332 2.417 20 30 BEEDMO CSCCON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848411441 588380662 /nfs/dbraw/zinc/38/06/62/588380662.db2.gz XIBBCRGUWCDKIE-GFCCVEGCSA-N 1 1 242.388 2.370 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000848515601 588387441 /nfs/dbraw/zinc/38/74/41/588387441.db2.gz ZYCDLQPJPWAIKK-CABZTGNLSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000848515599 588389246 /nfs/dbraw/zinc/38/92/46/588389246.db2.gz ZYCDLQPJPWAIKK-BXKDBHETSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCCC(C)(C)C#N ZINC000848517499 588389553 /nfs/dbraw/zinc/38/95/53/588389553.db2.gz HVISTHGYMGWGDS-ZJUUUORDSA-N 1 1 223.320 2.471 20 30 BEEDMO CC1(c2noc([C@@H]([NH3+])CCCCC#N)n2)CC1 ZINC000848630463 588402841 /nfs/dbraw/zinc/40/28/41/588402841.db2.gz MABKZAPQZSBVJE-VIFPVBQESA-N 1 1 234.303 2.205 20 30 BEEDMO C#C[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000848749361 588410927 /nfs/dbraw/zinc/41/09/27/588410927.db2.gz FRYGHUNRHJYEOC-GFCCVEGCSA-N 1 1 200.285 2.240 20 30 BEEDMO C#C[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000848749365 588411036 /nfs/dbraw/zinc/41/10/36/588411036.db2.gz FRYGHUNRHJYEOC-LBPRGKRZSA-N 1 1 200.285 2.240 20 30 BEEDMO C#C[C@H]1CCCN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000848750094 588411243 /nfs/dbraw/zinc/41/12/43/588411243.db2.gz BQCWVJRLDNIIRD-LBPRGKRZSA-N 1 1 229.327 2.197 20 30 BEEDMO C#C[C@H]1CCCN(c2cc(CC)[nH+]c(C)n2)C1 ZINC000848750022 588411354 /nfs/dbraw/zinc/41/13/54/588411354.db2.gz PFADMCJHPUQVDW-LBPRGKRZSA-N 1 1 229.327 2.197 20 30 BEEDMO C=CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848774203 588413051 /nfs/dbraw/zinc/41/30/51/588413051.db2.gz KKVNLIWIXXJJJP-CQSZACIVSA-N 1 1 245.322 2.238 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000848923485 588421482 /nfs/dbraw/zinc/42/14/82/588421482.db2.gz LVIBIDPUKKVOBN-ZDUSSCGKSA-N 1 1 241.334 2.467 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000848923377 588421500 /nfs/dbraw/zinc/42/15/00/588421500.db2.gz CSQYDOLGVMQZAL-CYBMUJFWSA-N 1 1 239.322 2.180 20 30 BEEDMO C#Cc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1 ZINC000848928759 588421759 /nfs/dbraw/zinc/42/17/59/588421759.db2.gz MZKBZOWYBGOKEY-GFCCVEGCSA-N 1 1 229.323 2.013 20 30 BEEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nccn2C)cc1 ZINC000850410314 588544569 /nfs/dbraw/zinc/54/45/69/588544569.db2.gz RFHTZMFDYVFRSH-GFCCVEGCSA-N 1 1 239.322 2.252 20 30 BEEDMO C#CCOCC[N@H+](CC)Cc1ccccc1C ZINC000851720075 588616693 /nfs/dbraw/zinc/61/66/93/588616693.db2.gz ZLOKSIRRDRMTGA-UHFFFAOYSA-N 1 1 231.339 2.467 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000851727553 588618425 /nfs/dbraw/zinc/61/84/25/588618425.db2.gz QSPOBHHAEIDJPG-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[N@H+](CC[C@H]1COC(C)(C)O1)C(C)C ZINC000851730346 588619108 /nfs/dbraw/zinc/61/91/08/588619108.db2.gz CQIYYHNXNANMBY-LBPRGKRZSA-N 1 1 227.348 2.424 20 30 BEEDMO C=CC[N@H+](CCCC(=O)NCC(C)C)C(C)C ZINC000851731247 588619422 /nfs/dbraw/zinc/61/94/22/588619422.db2.gz NAMKPFCOUVOYDN-UHFFFAOYSA-N 1 1 240.391 2.435 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000851733762 588620013 /nfs/dbraw/zinc/62/00/13/588620013.db2.gz GEMZRNPGAGHQHS-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000851742377 588621444 /nfs/dbraw/zinc/62/14/44/588621444.db2.gz SKAAWZCMQVTNSO-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000851754036 588623505 /nfs/dbraw/zinc/62/35/05/588623505.db2.gz ZFFACPCANZWLDV-CQSZACIVSA-N 1 1 247.313 2.265 20 30 BEEDMO C#CCOCC[N@H+]1CCCc2sccc2C1 ZINC000851764057 588624652 /nfs/dbraw/zinc/62/46/52/588624652.db2.gz ZZUXEBQWTMZGNB-UHFFFAOYSA-N 1 1 235.352 2.146 20 30 BEEDMO CC(C)(C)C[N@@H+](CCC#N)CCOC(F)F ZINC000851781447 588628091 /nfs/dbraw/zinc/62/80/91/588628091.db2.gz XFZGHOHUIXDRKE-UHFFFAOYSA-N 1 1 234.290 2.487 20 30 BEEDMO CC(C)(C)C[N@H+](CCC#N)CCOC(F)F ZINC000851781447 588628092 /nfs/dbraw/zinc/62/80/92/588628092.db2.gz XFZGHOHUIXDRKE-UHFFFAOYSA-N 1 1 234.290 2.487 20 30 BEEDMO C#CCOCC[N@H+]1CCC2(C1)CCCCC2 ZINC000851784303 588628202 /nfs/dbraw/zinc/62/82/02/588628202.db2.gz KAXOAWYBBVXGGY-UHFFFAOYSA-N 1 1 221.344 2.292 20 30 BEEDMO C#CCOCC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000851786168 588628584 /nfs/dbraw/zinc/62/85/84/588628584.db2.gz QZGJOZFGSKUUKS-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H](OC)C1CCCC1 ZINC000851799000 588630492 /nfs/dbraw/zinc/63/04/92/588630492.db2.gz KAVOSIXBLMHWEX-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@H+]1CCCC12CCCCC2 ZINC000851872149 588637667 /nfs/dbraw/zinc/63/76/67/588637667.db2.gz ZYBVMVVUDNRRLJ-UHFFFAOYSA-N 1 1 221.344 2.435 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000851913510 588643057 /nfs/dbraw/zinc/64/30/57/588643057.db2.gz YGDDVDFKIOOHAW-QWRGUYRKSA-N 1 1 249.276 2.299 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000851913507 588643296 /nfs/dbraw/zinc/64/32/96/588643296.db2.gz YGDDVDFKIOOHAW-GHMZBOCLSA-N 1 1 249.276 2.299 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000851920819 588644092 /nfs/dbraw/zinc/64/40/92/588644092.db2.gz SGJCLUJLEZHZAR-IHRRRGAJSA-N 1 1 221.344 2.147 20 30 BEEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000851922577 588644373 /nfs/dbraw/zinc/64/43/73/588644373.db2.gz JRBHZJLLNFUESQ-JHJVBQTASA-N 1 1 222.332 2.180 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000851966703 588648396 /nfs/dbraw/zinc/64/83/96/588648396.db2.gz RGNUETDOJYQWJP-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851993607 588652977 /nfs/dbraw/zinc/65/29/77/588652977.db2.gz CURNVMKJYJZYDA-NWDGAFQWSA-N 1 1 225.332 2.178 20 30 BEEDMO C#CCOCC[N@@H+](CC1CC1)CC1CCC1 ZINC000852002277 588654115 /nfs/dbraw/zinc/65/41/15/588654115.db2.gz BMIMOIDCQAPMDI-UHFFFAOYSA-N 1 1 221.344 2.148 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000852105137 588663735 /nfs/dbraw/zinc/66/37/35/588663735.db2.gz SRUOCHKUKPXTTQ-AWEZNQCLSA-N 1 1 231.343 2.111 20 30 BEEDMO N#Cc1ccc(CC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000852212841 588673020 /nfs/dbraw/zinc/67/30/20/588673020.db2.gz FDAGSQMIIDHVNO-BETUJISGSA-N 1 1 248.276 2.298 20 30 BEEDMO C=C(Cl)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000852289096 588676313 /nfs/dbraw/zinc/67/63/13/588676313.db2.gz XUHGOLJLHSNFHS-ZDUSSCGKSA-N 1 1 239.746 2.274 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000852289096 588676314 /nfs/dbraw/zinc/67/63/14/588676314.db2.gz XUHGOLJLHSNFHS-ZDUSSCGKSA-N 1 1 239.746 2.274 20 30 BEEDMO CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326260 588678920 /nfs/dbraw/zinc/67/89/20/588678920.db2.gz MWMBMZHNSSHMCX-AWEZNQCLSA-N 1 1 229.327 2.349 20 30 BEEDMO CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326260 588678921 /nfs/dbraw/zinc/67/89/21/588678921.db2.gz MWMBMZHNSSHMCX-AWEZNQCLSA-N 1 1 229.327 2.349 20 30 BEEDMO C=CC[N@H+](Cc1cnoc1C)[C@H](C)COC ZINC000852356631 588679505 /nfs/dbraw/zinc/67/95/05/588679505.db2.gz KEFKZFBOHZPLPF-SNVBAGLBSA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[N@@H+](Cc1cnoc1C)[C@H](C)COC ZINC000852356631 588679506 /nfs/dbraw/zinc/67/95/06/588679506.db2.gz KEFKZFBOHZPLPF-SNVBAGLBSA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnn(CC)n2)C1 ZINC000852408862 588680965 /nfs/dbraw/zinc/68/09/65/588680965.db2.gz BXQCHKTUPVFROQ-LBPRGKRZSA-N 1 1 234.347 2.086 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(CC)n2)C1 ZINC000852408862 588680966 /nfs/dbraw/zinc/68/09/66/588680966.db2.gz BXQCHKTUPVFROQ-LBPRGKRZSA-N 1 1 234.347 2.086 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852408824 588680998 /nfs/dbraw/zinc/68/09/98/588680998.db2.gz BHPCWMYQQVMEQY-UKRRQHHQSA-N 1 1 246.354 2.403 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000852410176 588681225 /nfs/dbraw/zinc/68/12/25/588681225.db2.gz JJGVBEZFVWDHGE-CYBMUJFWSA-N 1 1 248.374 2.395 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)C2CC2)C1 ZINC000852410090 588681468 /nfs/dbraw/zinc/68/14/68/588681468.db2.gz HRQQVVZWVSFCGL-AAEUAGOBSA-N 1 1 209.333 2.045 20 30 BEEDMO C[C@H](CCC#N)[NH2+][C@@H](C)c1cscn1 ZINC000852416053 588681676 /nfs/dbraw/zinc/68/16/76/588681676.db2.gz BYSGCGIFYNCIQH-BDAKNGLRSA-N 1 1 209.318 2.486 20 30 BEEDMO C=CC[N@@H+](CCS(=O)(=O)C(C)C)C(C)(C)C ZINC000852554414 588689672 /nfs/dbraw/zinc/68/96/72/588689672.db2.gz LUPNQUJLAUWROS-UHFFFAOYSA-N 1 1 247.404 2.096 20 30 BEEDMO C=CC[N@H+](CCS(=O)(=O)C(C)C)C(C)(C)C ZINC000852554414 588689673 /nfs/dbraw/zinc/68/96/73/588689673.db2.gz LUPNQUJLAUWROS-UHFFFAOYSA-N 1 1 247.404 2.096 20 30 BEEDMO C=CCCCCC[N@H+](C)CCN(C)C(=O)OC ZINC000852568596 588690996 /nfs/dbraw/zinc/69/09/96/588690996.db2.gz KQXAXVFNGVEZBW-UHFFFAOYSA-N 1 1 242.363 2.363 20 30 BEEDMO C#CCC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654625 588694234 /nfs/dbraw/zinc/69/42/34/588694234.db2.gz LQKZMXCYPHFHKO-OAHLLOKOSA-N 1 1 228.339 2.220 20 30 BEEDMO Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000852684418 588695287 /nfs/dbraw/zinc/69/52/87/588695287.db2.gz GQDZUVSKVYKLBQ-CABCVRRESA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccccc1[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000852684418 588695288 /nfs/dbraw/zinc/69/52/88/588695288.db2.gz GQDZUVSKVYKLBQ-CABCVRRESA-N 1 1 244.338 2.264 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(OC)OC ZINC000852687070 588696075 /nfs/dbraw/zinc/69/60/75/588696075.db2.gz FVWDUEAKTBUFQE-TXEJJXNPSA-N 1 1 225.332 2.178 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO[C@@H](C)C#N ZINC000852687642 588696115 /nfs/dbraw/zinc/69/61/15/588696115.db2.gz MEPBUFUNAHJGDJ-RWMBFGLXSA-N 1 1 220.316 2.098 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@H](CC(C)C)OC ZINC000852750318 588698803 /nfs/dbraw/zinc/69/88/03/588698803.db2.gz PTZNYRQZZLEYQY-CQSZACIVSA-N 1 1 241.375 2.019 20 30 BEEDMO C#CCC[N@@H+](CCOC)Cc1ccccc1C#N ZINC000852748533 588699310 /nfs/dbraw/zinc/69/93/10/588699310.db2.gz CYSWSSFSBKCCCT-UHFFFAOYSA-N 1 1 242.322 2.030 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccccc1C#N ZINC000852748533 588699311 /nfs/dbraw/zinc/69/93/11/588699311.db2.gz CYSWSSFSBKCCCT-UHFFFAOYSA-N 1 1 242.322 2.030 20 30 BEEDMO C#CCC[N@H+](CCOC)CCC(C)(C)C ZINC000852748498 588699616 /nfs/dbraw/zinc/69/96/16/588699616.db2.gz BHECIOIOSINMCJ-UHFFFAOYSA-N 1 1 211.349 2.394 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000852749982 588699955 /nfs/dbraw/zinc/69/99/55/588699955.db2.gz KDKJPNUZYVWKJE-QLFBSQMISA-N 1 1 235.371 2.394 20 30 BEEDMO C#CC[C@@H](OC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC000860656400 589112695 /nfs/dbraw/zinc/11/26/95/589112695.db2.gz JADDXULEDARNGF-GFCCVEGCSA-N 1 1 248.326 2.173 20 30 BEEDMO C=CC(C)(C)CCOC(=O)Cn1c[nH+]cc1C ZINC000860875133 589125388 /nfs/dbraw/zinc/12/53/88/589125388.db2.gz XHNSPALTBYBVHZ-UHFFFAOYSA-N 1 1 236.315 2.337 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cccc2n[nH]cc21 ZINC000862246336 589196850 /nfs/dbraw/zinc/19/68/50/589196850.db2.gz FTONOIBGGXXJCL-UHFFFAOYSA-N 1 1 237.306 2.021 20 30 BEEDMO C#CC[N@@H+](Cc1cccc2n[nH]cc21)C1CC1 ZINC000862326862 589201067 /nfs/dbraw/zinc/20/10/67/589201067.db2.gz UZYVVEMMYRZMIM-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO CCCCCCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000862355695 589202536 /nfs/dbraw/zinc/20/25/36/589202536.db2.gz NIDZLNANORFIRG-UHFFFAOYSA-N 1 1 240.391 2.415 20 30 BEEDMO CCCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000862356252 589202821 /nfs/dbraw/zinc/20/28/21/589202821.db2.gz UOYLQUUTPPLYBP-ZDUSSCGKSA-N 1 1 240.391 2.415 20 30 BEEDMO C#C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369289 589203284 /nfs/dbraw/zinc/20/32/84/589203284.db2.gz ROQDPUNFMGWTSO-QWHCGFSZSA-N 1 1 236.403 2.497 20 30 BEEDMO C#C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369289 589203286 /nfs/dbraw/zinc/20/32/86/589203286.db2.gz ROQDPUNFMGWTSO-QWHCGFSZSA-N 1 1 236.403 2.497 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000862442107 589213490 /nfs/dbraw/zinc/21/34/90/589213490.db2.gz AODFDAMAIQOWOY-GFCCVEGCSA-N 1 1 215.296 2.237 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000862442991 589213504 /nfs/dbraw/zinc/21/35/04/589213504.db2.gz KDHOFLPDRCJRHE-LLVKDONJSA-N 1 1 249.383 2.054 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000862443492 589213703 /nfs/dbraw/zinc/21/37/03/589213703.db2.gz PPVCHKDEHHEBRF-CYBMUJFWSA-N 1 1 239.322 2.180 20 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c1nc2c(s1)CCCC2=NNc1cc[nH+]cc1 ZINC000863106656 589256803 /nfs/dbraw/zinc/25/68/03/589256803.db2.gz KKYQMRNXPIUKNY-UHFFFAOYSA-N 1 1 244.323 2.113 20 30 BEEDMO C=C[C@@H](C)ON=C1CC[N@@H+](C)C(C)(C)C1 ZINC000863122971 589260568 /nfs/dbraw/zinc/26/05/68/589260568.db2.gz AXRVLVUKFRBLGF-SNVBAGLBSA-N 1 1 210.321 2.438 20 30 BEEDMO CC(C)(C#N)[C@@H]1CCCC1=[NH+]n1cccn1 ZINC000863163629 589266125 /nfs/dbraw/zinc/26/61/25/589266125.db2.gz KXMLQPWZZYMUMJ-SNVBAGLBSA-N 1 1 216.288 2.437 20 30 BEEDMO C=C(C)CO[NH+]=C(N)CCC(F)(F)F ZINC000863490404 589294024 /nfs/dbraw/zinc/29/40/24/589294024.db2.gz NHDPFEZQLRYBEE-UHFFFAOYSA-N 1 1 210.199 2.403 20 30 BEEDMO C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000863942962 589328661 /nfs/dbraw/zinc/32/86/61/589328661.db2.gz HVMXZYNCIILOPJ-STQMWFEESA-N 1 1 238.375 2.140 20 30 BEEDMO C=C(C)CN(CC)C(=O)Cn1cc(C)[nH+]c1CC ZINC000865392776 589431070 /nfs/dbraw/zinc/43/10/70/589431070.db2.gz JFPAAWCOZSQORK-UHFFFAOYSA-N 1 1 249.358 2.179 20 30 BEEDMO 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BEEDMO CCCC=[NH+]n1c(SC)nnc1SC ZINC000872417804 589937088 /nfs/dbraw/zinc/93/70/88/589937088.db2.gz OZMIIEXPJQCCTM-UHFFFAOYSA-N 1 1 230.362 2.356 20 30 BEEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1C[C@@H]1C ZINC000872417810 589937136 /nfs/dbraw/zinc/93/71/36/589937136.db2.gz PKDSSCBGSDJCHP-BQBZGAKWSA-N 1 1 242.373 2.212 20 30 BEEDMO C=C(C)C[N@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872596632 589954797 /nfs/dbraw/zinc/95/47/97/589954797.db2.gz IUIVPJPMZCZZSS-UHFFFAOYSA-N 1 1 236.359 2.245 20 30 BEEDMO C=C(C)C[N@@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872596632 589954799 /nfs/dbraw/zinc/95/47/99/589954799.db2.gz IUIVPJPMZCZZSS-UHFFFAOYSA-N 1 1 236.359 2.245 20 30 BEEDMO C=CC(C)(C)CCC[NH2+]Cc1ccn[nH]1 ZINC000873152203 589987179 /nfs/dbraw/zinc/98/71/79/589987179.db2.gz ZLORGQZQPWWSPR-UHFFFAOYSA-N 1 1 207.321 2.492 20 30 BEEDMO C=C(C)C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212505 590155948 /nfs/dbraw/zinc/15/59/48/590155948.db2.gz LFHHFAYIJNSIOE-UHFFFAOYSA-N 1 1 242.363 2.409 20 30 BEEDMO 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CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCC(C)(C)O1 ZINC000160365133 711807885 /nfs/dbraw/zinc/80/78/85/711807885.db2.gz WPODINCYJZQBKU-RYUDHWBXSA-N 1 1 224.348 2.426 20 30 BEEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)CC)C1 ZINC001034060274 712037707 /nfs/dbraw/zinc/03/77/07/712037707.db2.gz INIBWMSJQULLHD-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO COC1CC(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000703398326 712075502 /nfs/dbraw/zinc/07/55/02/712075502.db2.gz ODTHRIJIRKVPGY-POOIEITISA-N 1 1 222.332 2.035 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1nc(C)c(C)[nH]1)C(C)(C)C ZINC000709013883 712206232 /nfs/dbraw/zinc/20/62/32/712206232.db2.gz NZHFSEDAXKVYCR-LLVKDONJSA-N 1 1 219.332 2.164 20 30 BEEDMO C=C(Cl)CN(C)CCCCCC[NH3+] ZINC000710682792 712254267 /nfs/dbraw/zinc/25/42/67/712254267.db2.gz CFISTRYGCOLZTL-UHFFFAOYSA-N 1 1 204.745 2.190 20 30 BEEDMO C[N@H+]1CC[C@@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000712597292 712435951 /nfs/dbraw/zinc/43/59/51/712435951.db2.gz XDIZTJFEQWTFHA-LLVKDONJSA-N 1 1 235.718 2.328 20 30 BEEDMO C=CC[C@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000715044221 712504852 /nfs/dbraw/zinc/50/48/52/712504852.db2.gz UULCOPSMWQWOQR-LPEHRKFASA-N 1 1 237.265 2.054 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000379818421 712611832 /nfs/dbraw/zinc/61/18/32/712611832.db2.gz ROEQBUNAQLXPPQ-MNOVXSKESA-N 1 1 212.337 2.281 20 30 BEEDMO CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879308352 712632953 /nfs/dbraw/zinc/63/29/53/712632953.db2.gz APHUGWUIUXAQEG-JHJVBQTASA-N 1 1 224.348 2.017 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000930589983 712712908 /nfs/dbraw/zinc/71/29/08/712712908.db2.gz PGUVKCANFFKAOD-QWRGUYRKSA-N 1 1 249.276 2.442 20 30 BEEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000720457138 712844271 /nfs/dbraw/zinc/84/42/71/712844271.db2.gz HHEBGWHIWGJSCO-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO CC[N@@H+](CCO[C@H](C)C#N)CCc1ccccc1 ZINC000801914521 710874367 /nfs/dbraw/zinc/87/43/67/710874367.db2.gz JMVXMUYGWKNPPE-CQSZACIVSA-N 1 1 246.354 2.480 20 30 BEEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049274038 710898622 /nfs/dbraw/zinc/89/86/22/710898622.db2.gz SCXHHBXGLCJCAL-UONOGXRCSA-N 1 1 248.370 2.038 20 30 BEEDMO C=CC[N@H+](C/C=C(/C)C(=O)OC)C(C)(C)C ZINC000382522433 710946198 /nfs/dbraw/zinc/94/61/98/710946198.db2.gz BMYCFLXPSWCALV-FLIBITNWSA-N 1 1 225.332 2.392 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001052129253 710960502 /nfs/dbraw/zinc/96/05/02/710960502.db2.gz IVFCLWUVBYJSLJ-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO C=CC[N@H+](C/C=C(\C)C(=O)OC)C(C)C ZINC000383886735 710986920 /nfs/dbraw/zinc/98/69/20/710986920.db2.gz HDAIDZMMCCAGKQ-YRNVUSSQSA-N 1 1 211.305 2.002 20 30 BEEDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1CCCC(C)(C)C#N ZINC000384128871 710988623 /nfs/dbraw/zinc/98/86/23/710988623.db2.gz JBQJRHDQDBYTRY-QWHCGFSZSA-N 1 1 237.391 2.341 20 30 BEEDMO C[C@H]1[C@H]([NH+](C)C)CCN1CCCC(C)(C)C#N ZINC000384128871 710988624 /nfs/dbraw/zinc/98/86/24/710988624.db2.gz JBQJRHDQDBYTRY-QWHCGFSZSA-N 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CC(C)[N@@H+](CCO[C@H](C)C#N)CC1CC1 ZINC000393819119 711175881 /nfs/dbraw/zinc/17/58/81/711175881.db2.gz INDSMJLOQSVKKJ-LLVKDONJSA-N 1 1 210.321 2.035 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071415606 711191663 /nfs/dbraw/zinc/19/16/63/711191663.db2.gz BYVGPLIILJVPQP-TZMCWYRMSA-N 1 1 248.370 2.252 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071401681 711192025 /nfs/dbraw/zinc/19/20/25/711192025.db2.gz OQMTWVMYUQIEAQ-TZMCWYRMSA-N 1 1 248.370 2.108 20 30 BEEDMO CC(C)[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000395768848 711214176 /nfs/dbraw/zinc/21/41/76/711214176.db2.gz FUIGVNNGVHAYAH-STQMWFEESA-N 1 1 224.348 2.426 20 30 BEEDMO C#CCCC[N@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398821047 711415534 /nfs/dbraw/zinc/41/55/34/711415534.db2.gz DDLIKKKJJJJPCH-BETUJISGSA-N 1 1 209.333 2.289 20 30 BEEDMO Nc1ncccc1C=[NH+]Nc1ccccc1 ZINC000381031509 710596660 /nfs/dbraw/zinc/59/66/60/710596660.db2.gz AKWISBOUTOLEEM-UHFFFAOYSA-N 1 1 212.256 2.110 20 30 BEEDMO C=C(Br)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000381381929 710630457 /nfs/dbraw/zinc/63/04/57/710630457.db2.gz PNBUENULDDQJGP-SNVBAGLBSA-N 1 1 248.164 2.253 20 30 BEEDMO C=C(Br)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000381381929 710630460 /nfs/dbraw/zinc/63/04/60/710630460.db2.gz PNBUENULDDQJGP-SNVBAGLBSA-N 1 1 248.164 2.253 20 30 BEEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2=CCCC2)C1 ZINC001046239878 710856065 /nfs/dbraw/zinc/85/60/65/710856065.db2.gz NPLRLHGVUQUDIU-OAHLLOKOSA-N 1 1 248.370 2.253 20 30 BEEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071350774 711189009 /nfs/dbraw/zinc/18/90/09/711189009.db2.gz ZMOLRAVCGIQUEQ-CHWSQXEVSA-N 1 1 238.375 2.188 20 30 BEEDMO C=CC[N@H+](Cc1cc(C(=O)OC)co1)C(C)C ZINC000726596263 711439159 /nfs/dbraw/zinc/43/91/59/711439159.db2.gz HBNWMIHMAVEKOF-UHFFFAOYSA-N 1 1 237.299 2.463 20 30 BEEDMO CC(=[NH+]NC1CC1)c1ccc(Cl)c(N)c1 ZINC000393471939 711477498 /nfs/dbraw/zinc/47/74/98/711477498.db2.gz KOYZUSAFBDNQBB-UHFFFAOYSA-N 1 1 223.707 2.398 20 30 BEEDMO Cc1nc(C)c(C[NH+]2CCC(C#N)CC2)o1 ZINC000723626851 711526688 /nfs/dbraw/zinc/52/66/88/711526688.db2.gz UXISTZAHELQNNU-UHFFFAOYSA-N 1 1 219.288 2.027 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000724160460 711565102 /nfs/dbraw/zinc/56/51/02/711565102.db2.gz RYAHABWWOFLIMQ-ZIAGYGMSSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163425 711565933 /nfs/dbraw/zinc/56/59/33/711565933.db2.gz PJBRAUWUZFLTNP-HUUCEWRRSA-N 1 1 244.338 2.362 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721501635 711571464 /nfs/dbraw/zinc/57/14/64/711571464.db2.gz SFIOZWAOLWPRDW-VXGBXAGGSA-N 1 1 229.327 2.431 20 30 BEEDMO C#CCCC[N@H+](CCO)C1CCCCC1 ZINC000161145326 711580861 /nfs/dbraw/zinc/58/08/61/711580861.db2.gz JACVEAHDOAWHPF-UHFFFAOYSA-N 1 1 209.333 2.027 20 30 BEEDMO C=C1CCC(C[NH2+][C@@H](CC)C(=O)OC)CC1 ZINC000724542425 711587733 /nfs/dbraw/zinc/58/77/33/711587733.db2.gz MRDVORCKAIYYMN-LBPRGKRZSA-N 1 1 225.332 2.274 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934767907 711603401 /nfs/dbraw/zinc/60/34/01/711603401.db2.gz APWBOVICLMGTNL-XQQFMLRXSA-N 1 1 223.385 2.473 20 30 BEEDMO COCC[N@H+](Cc1cncc(C#N)c1)CC(C)C ZINC000721539191 711620261 /nfs/dbraw/zinc/62/02/61/711620261.db2.gz KLPXKAWTOPBBGG-UHFFFAOYSA-N 1 1 247.342 2.058 20 30 BEEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721616217 711671059 /nfs/dbraw/zinc/67/10/59/711671059.db2.gz WCLPWPBZVFGTCT-JTQLQIEISA-N 1 1 215.300 2.184 20 30 BEEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721616219 711671148 /nfs/dbraw/zinc/67/11/48/711671148.db2.gz WCLPWPBZVFGTCT-SNVBAGLBSA-N 1 1 215.300 2.184 20 30 BEEDMO C#CCCCNc1nc(C)[nH+]c(C)c1C ZINC000177832367 711672166 /nfs/dbraw/zinc/67/21/66/711672166.db2.gz DLVVDLHEWQWASO-UHFFFAOYSA-N 1 1 203.289 2.227 20 30 BEEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027256350 711721554 /nfs/dbraw/zinc/72/15/54/711721554.db2.gz BDZSFRULQHTQDM-NSHDSACASA-N 1 1 244.766 2.072 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027256350 711721555 /nfs/dbraw/zinc/72/15/55/711721555.db2.gz BDZSFRULQHTQDM-NSHDSACASA-N 1 1 244.766 2.072 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895101621 711776512 /nfs/dbraw/zinc/77/65/12/711776512.db2.gz NCPDMFRXGBBYMV-ZDUSSCGKSA-N 1 1 243.354 2.453 20 30 BEEDMO C#CC[N@H+](Cc1cc(OC)ccc1O)C(C)C ZINC000897170554 711784801 /nfs/dbraw/zinc/78/48/01/711784801.db2.gz BBUQLDMTCQIDHQ-UHFFFAOYSA-N 1 1 233.311 2.244 20 30 BEEDMO C#CC[N@H+](Cc1cncc(OCC)c1)C(C)C ZINC000897170763 711784830 /nfs/dbraw/zinc/78/48/30/711784830.db2.gz HEGIQSOKNNOYFY-UHFFFAOYSA-N 1 1 232.327 2.324 20 30 BEEDMO C#CC[N@H+](Cc1csc(C#N)c1)C(C)C ZINC000897170528 711784852 /nfs/dbraw/zinc/78/48/52/711784852.db2.gz AIFDYBCGCDJWKH-UHFFFAOYSA-N 1 1 218.325 2.463 20 30 BEEDMO C#CC[N@@H+](Cc1csc(C#N)c1)C(C)C ZINC000897170528 711784854 /nfs/dbraw/zinc/78/48/54/711784854.db2.gz AIFDYBCGCDJWKH-UHFFFAOYSA-N 1 1 218.325 2.463 20 30 BEEDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000721845584 711789186 /nfs/dbraw/zinc/78/91/86/711789186.db2.gz IUBASHTYGGXTJZ-AWEZNQCLSA-N 1 1 244.338 2.151 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCCC(=O)CC)C1 ZINC000829815672 711854278 /nfs/dbraw/zinc/85/42/78/711854278.db2.gz QLINCWIVZALIOB-CYBMUJFWSA-N 1 1 221.344 2.481 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccccc1CC(=O)OC ZINC000382501255 711871286 /nfs/dbraw/zinc/87/12/86/711871286.db2.gz PYKQKILOSXWEAM-UHFFFAOYSA-N 1 1 247.338 2.410 20 30 BEEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032547386 711924690 /nfs/dbraw/zinc/92/46/90/711924690.db2.gz ZSZGQQDHAYKLSB-STQMWFEESA-N 1 1 248.370 2.038 20 30 BEEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001032547386 711924692 /nfs/dbraw/zinc/92/46/92/711924692.db2.gz ZSZGQQDHAYKLSB-STQMWFEESA-N 1 1 248.370 2.038 20 30 BEEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccn1 ZINC000451028367 711948926 /nfs/dbraw/zinc/94/89/26/711948926.db2.gz IVYKJGDHAGOBDV-NSHDSACASA-N 1 1 245.326 2.435 20 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1 238.375 2.189 20 30 BEEDMO C[N@H+]1C[C@@H]2C[NH+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049284 /nfs/dbraw/zinc/04/92/84/712049284.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 1 249.402 2.200 20 30 BEEDMO C[NH+]1C[C@@H]2C[N@H+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049289 /nfs/dbraw/zinc/04/92/89/712049289.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 1 249.402 2.200 20 30 BEEDMO C[NH+]1C[C@@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049291 /nfs/dbraw/zinc/04/92/91/712049291.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 1 249.402 2.200 20 30 BEEDMO CN1C[C@@H]2C[N@H+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049294 /nfs/dbraw/zinc/04/92/94/712049294.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 1 249.402 2.200 20 30 BEEDMO CN1C[C@@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049297 /nfs/dbraw/zinc/04/92/97/712049297.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 1 249.402 2.200 20 30 BEEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000703198891 712067921 /nfs/dbraw/zinc/06/79/21/712067921.db2.gz CYHWTTGIRSJLGV-GXTWGEPZSA-N 1 1 242.322 2.403 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C/C=C(\C)C(=O)OC)C1 ZINC000703661732 712083141 /nfs/dbraw/zinc/08/31/41/712083141.db2.gz CGWXADKTBHRKBT-YQCJOKCJSA-N 1 1 237.343 2.394 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H](C)C1 ZINC000703698100 712083899 /nfs/dbraw/zinc/08/38/99/712083899.db2.gz KHQHGJXZIROVQI-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO C#CCCC[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000705019253 712121473 /nfs/dbraw/zinc/12/14/73/712121473.db2.gz JKRDDXWUNBUAAO-PWSUYJOCSA-N 1 1 231.286 2.144 20 30 BEEDMO CN1C[C@@]2(C)C[NH+](CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706252366 712142820 /nfs/dbraw/zinc/14/28/20/712142820.db2.gz FCPZOWMIOKVDQN-GJZGRUSLSA-N 1 1 249.402 2.200 20 30 BEEDMO CC1(C)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000706814725 712156753 /nfs/dbraw/zinc/15/67/53/712156753.db2.gz JSGGMPFTAQBFOI-CYBMUJFWSA-N 1 1 230.311 2.076 20 30 BEEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H]3C[C@H]32)c1 ZINC000706901550 712159577 /nfs/dbraw/zinc/15/95/77/712159577.db2.gz OCLKUFORYZAGJD-DZGCQCFKSA-N 1 1 242.322 2.421 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000706968069 712160039 /nfs/dbraw/zinc/16/00/39/712160039.db2.gz QXCIEKUBNHQWIU-MFKMUULPSA-N 1 1 216.259 2.292 20 30 BEEDMO COc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)cc1C#N ZINC000706965776 712160709 /nfs/dbraw/zinc/16/07/09/712160709.db2.gz HLIKGKBWOBZJHF-YPMHNXCESA-N 1 1 228.295 2.161 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3C[C@H]32)c1F ZINC000706963971 712160893 /nfs/dbraw/zinc/16/08/93/712160893.db2.gz APJGRYBFBPWVDA-JOYOIKCWSA-N 1 1 216.259 2.292 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000707188864 712166375 /nfs/dbraw/zinc/16/63/75/712166375.db2.gz WHIOMHYEKRXEAM-AGIUHOORSA-N 1 1 222.332 2.180 20 30 BEEDMO C=CC[N@H+](CCCCC(=O)OC)C(C)C ZINC000707532243 712171559 /nfs/dbraw/zinc/17/15/59/712171559.db2.gz DESFTHFPXWBVRZ-UHFFFAOYSA-N 1 1 213.321 2.226 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1F ZINC000711447862 712301592 /nfs/dbraw/zinc/30/15/92/712301592.db2.gz NWYWZZYJRQREEL-LLVKDONJSA-N 1 1 236.265 2.489 20 30 BEEDMO C#CCCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378870840 712365539 /nfs/dbraw/zinc/36/55/39/712365539.db2.gz NFHOLHHMWKVNBC-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C[N@H+]1CC[C@H]1CNc1ccc(Cl)cc1C#N ZINC000712593170 712435576 /nfs/dbraw/zinc/43/55/76/712435576.db2.gz CMCBASHKHBVFEU-NSHDSACASA-N 1 1 235.718 2.328 20 30 BEEDMO C[N@@H+]1CC[C@@H]1CNc1ccc(C#N)cc1Cl ZINC000712595176 712435800 /nfs/dbraw/zinc/43/58/00/712435800.db2.gz NHLZWJWUXJOCRT-SNVBAGLBSA-N 1 1 235.718 2.328 20 30 BEEDMO C[N@H+]1CC[C@@H]1CNc1ccc(C#N)cc1Cl ZINC000712595176 712435801 /nfs/dbraw/zinc/43/58/01/712435801.db2.gz NHLZWJWUXJOCRT-SNVBAGLBSA-N 1 1 235.718 2.328 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714363330 712484137 /nfs/dbraw/zinc/48/41/37/712484137.db2.gz ZPZYSRMFAFUDCP-VXGBXAGGSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCCC(C)(C)O1 ZINC000714363330 712484138 /nfs/dbraw/zinc/48/41/38/712484138.db2.gz ZPZYSRMFAFUDCP-VXGBXAGGSA-N 1 1 224.348 2.426 20 30 BEEDMO C=C(Cl)CN1CCC(C(C)(C)C[NH3+])CC1 ZINC000714410539 712485738 /nfs/dbraw/zinc/48/57/38/712485738.db2.gz KVHPFBOZKLKSJS-UHFFFAOYSA-N 1 1 230.783 2.436 20 30 BEEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000715042664 712504489 /nfs/dbraw/zinc/50/44/89/712504489.db2.gz FCFUEMZNYQFMML-NWDGAFQWSA-N 1 1 211.349 2.434 20 30 BEEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000715415743 712517836 /nfs/dbraw/zinc/51/78/36/712517836.db2.gz LPZCPCYNYTUXIY-TXEJJXNPSA-N 1 1 234.249 2.255 20 30 BEEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715417871 712518184 /nfs/dbraw/zinc/51/81/84/712518184.db2.gz ZKAQLYXLVQDXIF-BNOWGMLFSA-N 1 1 236.359 2.426 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715417871 712518185 /nfs/dbraw/zinc/51/81/85/712518185.db2.gz ZKAQLYXLVQDXIF-BNOWGMLFSA-N 1 1 236.359 2.426 20 30 BEEDMO C=C(Br)C[N@H+](C)CCCF ZINC000716655885 712569015 /nfs/dbraw/zinc/56/90/15/712569015.db2.gz FIOAKYRTBORGGW-UHFFFAOYSA-N 1 1 210.090 2.186 20 30 BEEDMO C=C(Br)C[N@@H+](C)CCCF ZINC000716655885 712569016 /nfs/dbraw/zinc/56/90/16/712569016.db2.gz FIOAKYRTBORGGW-UHFFFAOYSA-N 1 1 210.090 2.186 20 30 BEEDMO N#CC[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000809572894 712584353 /nfs/dbraw/zinc/58/43/53/712584353.db2.gz VZISMOJXGCQPJC-CQSZACIVSA-N 1 1 236.359 2.306 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCOC[C@H]2CC)cc1 ZINC000809548524 712584417 /nfs/dbraw/zinc/58/44/17/712584417.db2.gz FFJFCGIMQLMCJN-OAHLLOKOSA-N 1 1 229.323 2.279 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2CC)cc1 ZINC000809548524 712584419 /nfs/dbraw/zinc/58/44/19/712584419.db2.gz FFJFCGIMQLMCJN-OAHLLOKOSA-N 1 1 229.323 2.279 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(CCC)no2)C1 ZINC000829769354 712594461 /nfs/dbraw/zinc/59/44/61/712594461.db2.gz SUEQGEXKFXVYQA-LBPRGKRZSA-N 1 1 247.342 2.257 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(CCC)no2)C1 ZINC000829769354 712594462 /nfs/dbraw/zinc/59/44/62/712594462.db2.gz SUEQGEXKFXVYQA-LBPRGKRZSA-N 1 1 247.342 2.257 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000847026895 712608321 /nfs/dbraw/zinc/60/83/21/712608321.db2.gz QXOKGUZPUHHFQA-GOEBONIOSA-N 1 1 243.350 2.374 20 30 BEEDMO CC[N@@H+](CCO[C@H](C)C#N)CC(C)(C)C ZINC000379871087 712619636 /nfs/dbraw/zinc/61/96/36/712619636.db2.gz QNJCZGREVCNJFN-LLVKDONJSA-N 1 1 212.337 2.283 20 30 BEEDMO C[N@@H+](C[Si](C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879308531 712632980 /nfs/dbraw/zinc/63/29/80/712632980.db2.gz PZBPSMWRXTTYIE-GHMZBOCLSA-N 1 1 210.397 2.488 20 30 BEEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000886355086 712654763 /nfs/dbraw/zinc/65/47/63/712654763.db2.gz CAHQXBUJRUKQIV-MNOVXSKESA-N 1 1 245.326 2.353 20 30 BEEDMO CC#CC[N@@H+](C)CCc1cccc(F)c1 ZINC000930590529 712712917 /nfs/dbraw/zinc/71/29/17/712712917.db2.gz VUFDOTFPODMNAG-UHFFFAOYSA-N 1 1 205.276 2.323 20 30 BEEDMO C=CC[NH2+]Cc1nc(C)c(Br)s1 ZINC000719242309 712801170 /nfs/dbraw/zinc/80/11/70/712801170.db2.gz YTNFTGYWCSIEHG-UHFFFAOYSA-N 1 1 247.161 2.490 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719682397 712821284 /nfs/dbraw/zinc/82/12/84/712821284.db2.gz NQXTVGUXSHFLSH-LBPRGKRZSA-N 1 1 211.349 2.436 20 30 BEEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000719703175 712822212 /nfs/dbraw/zinc/82/22/12/712822212.db2.gz UCNZYPQCWUWYSZ-GFCCVEGCSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)C1(C)CCCC1 ZINC000720395112 712838331 /nfs/dbraw/zinc/83/83/31/712838331.db2.gz SIFRJGVKICZSNI-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO C#CCCCCC[N@H+]1CCO[C@H](C)CC1 ZINC000720400095 712838548 /nfs/dbraw/zinc/83/85/48/712838548.db2.gz PXMUVMYVVAGISY-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000720472540 712845672 /nfs/dbraw/zinc/84/56/72/712845672.db2.gz LTSZWIXBFXASQU-NSHDSACASA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCO1 ZINC000720472540 712845674 /nfs/dbraw/zinc/84/56/74/712845674.db2.gz LTSZWIXBFXASQU-NSHDSACASA-N 1 1 248.301 2.308 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000380265539 712855321 /nfs/dbraw/zinc/85/53/21/712855321.db2.gz TZGSROWSKBLTCU-VIFPVBQESA-N 1 1 220.341 2.133 20 30 BEEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ccc(C#N)cc1 ZINC000720826665 712868893 /nfs/dbraw/zinc/86/88/93/712868893.db2.gz SGTYDLMWSODGFX-LSDHHAIUSA-N 1 1 241.338 2.231 20 30 BEEDMO CC[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720862939 712871455 /nfs/dbraw/zinc/87/14/55/712871455.db2.gz AIPNCKVWVLWYSR-FRRDWIJNSA-N 1 1 222.332 2.180 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720862939 712871457 /nfs/dbraw/zinc/87/14/57/712871457.db2.gz AIPNCKVWVLWYSR-FRRDWIJNSA-N 1 1 222.332 2.180 20 30 BEEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720867644 712872150 /nfs/dbraw/zinc/87/21/50/712872150.db2.gz VYWOEJKYBDPPHW-YIYPIFLZSA-N 1 1 236.359 2.426 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720867644 712872152 /nfs/dbraw/zinc/87/21/52/712872152.db2.gz VYWOEJKYBDPPHW-YIYPIFLZSA-N 1 1 236.359 2.426 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC[C@H](C)SC)C1 ZINC001208146315 957014012 /nfs/dbraw/zinc/01/40/12/957014012.db2.gz DVYUEPNHHGLBLF-RYUDHWBXSA-N 1 1 211.374 2.473 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001209266004 957369703 /nfs/dbraw/zinc/36/97/03/957369703.db2.gz FBJRGPLKSQNLHX-JTQLQIEISA-N 1 1 201.260 2.377 20 30 BEEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C)C1CC1 ZINC001266383712 957416330 /nfs/dbraw/zinc/41/63/30/957416330.db2.gz UYNMZEUSSJMQBV-GFCCVEGCSA-N 1 1 238.375 2.047 20 30 BEEDMO C=CCCCCCCC[N@H+]1CCO[C@H](CO)C1 ZINC001209438300 957472234 /nfs/dbraw/zinc/47/22/34/957472234.db2.gz IXAWKNYJMKQXGL-AWEZNQCLSA-N 1 1 241.375 2.206 20 30 BEEDMO C#CC[N@H+](CCCCC(=O)OC)C1CCCC1 ZINC000707525624 958564790 /nfs/dbraw/zinc/56/47/90/958564790.db2.gz WOWMFZLRSDORPF-UHFFFAOYSA-N 1 1 237.343 2.208 20 30 BEEDMO C#CC[N@@H+](C)CCOc1cc(C)cc(C)c1 ZINC000052711159 959413574 /nfs/dbraw/zinc/41/35/74/959413574.db2.gz FUAGLYQRUXVJAT-UHFFFAOYSA-N 1 1 217.312 2.247 20 30 BEEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001481686085 961566107 /nfs/dbraw/zinc/56/61/07/961566107.db2.gz FTQCOSSAWMFVBA-STQMWFEESA-N 1 1 238.375 2.189 20 30 BEEDMO C=CC(C)(C)C(=O)NC1C[NH+](CCCCC)C1 ZINC001268436963 961775030 /nfs/dbraw/zinc/77/50/30/961775030.db2.gz GJUHDIQUGGAERY-UHFFFAOYSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)F ZINC001151500875 962300468 /nfs/dbraw/zinc/30/04/68/962300468.db2.gz GPAMKPSMQDMCBW-LLVKDONJSA-N 1 1 244.354 2.137 20 30 BEEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C=C ZINC001268740064 962332129 /nfs/dbraw/zinc/33/21/29/962332129.db2.gz HIKQDJFBGBJDSZ-LBPRGKRZSA-N 1 1 238.375 2.211 20 30 BEEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC1(C)C ZINC001152793896 962472502 /nfs/dbraw/zinc/47/25/02/962472502.db2.gz ASUQHWWEPKNPOO-NEPJUHHUSA-N 1 1 238.375 2.045 20 30 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/nfs/dbraw/zinc/03/70/06/971037006.db2.gz NGDFBDWVCOOTHT-UNXYVOJBSA-N 1 1 220.316 2.122 20 30 BEEDMO C[C@H]1C[N@H+](C2CCC(C#N)CC2)CC[C@]1(C)O ZINC001256963364 971038724 /nfs/dbraw/zinc/03/87/24/971038724.db2.gz GSGKVZKAGCKKJY-ABXWRUBCSA-N 1 1 236.359 2.162 20 30 BEEDMO C#CC[N@@H+](C)CCCc1ccc(F)cc1 ZINC001208771192 1169504149 /nfs/dbraw/zinc/50/41/49/1169504149.db2.gz RTSQVRRGEPIPQU-UHFFFAOYSA-N 1 1 205.276 2.323 20 30 BEEDMO N#CC1CCC(N2CC[NH+](C3CCC3)CC2)CC1 ZINC001256965667 971041944 /nfs/dbraw/zinc/04/19/44/971041944.db2.gz WUFDRPPIPAGLGT-UHFFFAOYSA-N 1 1 247.386 2.239 20 30 BEEDMO N#CC1CCC([N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001256968618 971043616 /nfs/dbraw/zinc/04/36/16/971043616.db2.gz IZMJMRINPWOBCZ-YMAMQOFZSA-N 1 1 247.386 2.239 20 30 BEEDMO N#CC1CCC(N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC001256968618 971043622 /nfs/dbraw/zinc/04/36/22/971043622.db2.gz IZMJMRINPWOBCZ-YMAMQOFZSA-N 1 1 247.386 2.239 20 30 BEEDMO C[N@@H+](CC1(C)COC1)C1CCC(C#N)CC1 ZINC001256969812 971045037 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ZINC001257098516 971111244 /nfs/dbraw/zinc/11/12/44/971111244.db2.gz AVIBYBZWCCTEGS-XJFOESAGSA-N 1 1 221.344 2.288 20 30 BEEDMO C[C@@H]1CC([N@@H+]2CCCC[C@@H]2C#N)C[C@@H](C)O1 ZINC001257100880 971113397 /nfs/dbraw/zinc/11/33/97/971113397.db2.gz XVOQVJTYETZBQY-IJLUTSLNSA-N 1 1 222.332 2.320 20 30 BEEDMO C[C@@H]1CC([N@H+]2CCCC[C@@H]2C#N)C[C@@H](C)O1 ZINC001257100880 971113404 /nfs/dbraw/zinc/11/34/04/971113404.db2.gz XVOQVJTYETZBQY-IJLUTSLNSA-N 1 1 222.332 2.320 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC001257222237 971135442 /nfs/dbraw/zinc/13/54/42/971135442.db2.gz YJFQRGDWNQGFGI-CQSZACIVSA-N 1 1 234.387 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC001257222237 971135450 /nfs/dbraw/zinc/13/54/50/971135450.db2.gz YJFQRGDWNQGFGI-CQSZACIVSA-N 1 1 234.387 2.204 20 30 BEEDMO C#C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000307705977 971176128 /nfs/dbraw/zinc/17/61/28/971176128.db2.gz WTUSPRHOHIEHIW-SQWLQELKSA-N 1 1 242.366 2.261 20 30 BEEDMO C#C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307705977 971176131 /nfs/dbraw/zinc/17/61/31/971176131.db2.gz WTUSPRHOHIEHIW-SQWLQELKSA-N 1 1 242.366 2.261 20 30 BEEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnn(C)c1 ZINC000405176786 1169545826 /nfs/dbraw/zinc/54/58/26/1169545826.db2.gz SMYGVAARNGWLJB-LLVKDONJSA-N 1 1 232.331 2.155 20 30 BEEDMO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000405360068 971241541 /nfs/dbraw/zinc/24/15/41/971241541.db2.gz TVIXXJRMFMPCOZ-RYUDHWBXSA-N 1 1 222.376 2.448 20 30 BEEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCC)CC[C@@H]1C ZINC001131755185 971265244 /nfs/dbraw/zinc/26/52/44/971265244.db2.gz BSQJUOZCYTZHBL-QWHCGFSZSA-N 1 1 238.375 2.332 20 30 BEEDMO C=CCCCC[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000405486017 971266252 /nfs/dbraw/zinc/26/62/52/971266252.db2.gz ODQKEWOWNPTHMQ-NWDGAFQWSA-N 1 1 208.349 2.202 20 30 BEEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H](C)C#C ZINC000809683997 971278901 /nfs/dbraw/zinc/27/89/01/971278901.db2.gz VGDQWNMADQAMCZ-NSHDSACASA-N 1 1 247.725 2.463 20 30 BEEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001131894630 971287129 /nfs/dbraw/zinc/28/71/29/971287129.db2.gz AJKDCRQQEFXYPO-STQMWFEESA-N 1 1 238.375 2.332 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)/C=C/C2CC2)CC[C@@H]1C ZINC001131939211 971297469 /nfs/dbraw/zinc/29/74/69/971297469.db2.gz OKECHAPQIMGUAO-GKUAPZSJSA-N 1 1 248.370 2.108 20 30 BEEDMO CCCCCCCO[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217803471 971415193 /nfs/dbraw/zinc/41/51/93/971415193.db2.gz KKYRLRKURJBFSH-UONOGXRCSA-N 1 1 240.391 2.020 20 30 BEEDMO CCCCCCCO[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217803471 971415199 /nfs/dbraw/zinc/41/51/99/971415199.db2.gz KKYRLRKURJBFSH-UONOGXRCSA-N 1 1 240.391 2.020 20 30 BEEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCCSC2)C1 ZINC001257683503 971489289 /nfs/dbraw/zinc/48/92/89/971489289.db2.gz NJJMDAAMRLWKQT-WDEREUQCSA-N 1 1 210.346 2.118 20 30 BEEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](N)C3)C[C@H](C1)C2 ZINC001257887269 971517798 /nfs/dbraw/zinc/51/77/98/971517798.db2.gz ZPCJUAINCQVWLI-RBKKPWLPSA-N 1 1 220.360 2.154 20 30 BEEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3C(N)=O)C[C@H](C1)C2 ZINC001257889944 971524117 /nfs/dbraw/zinc/52/41/17/971524117.db2.gz ONQNSGJDLKNZDI-PIGZVRMJSA-N 1 1 248.370 2.071 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C2CCC3(COC3)CC2)C1 ZINC001257910958 971543358 /nfs/dbraw/zinc/54/33/58/971543358.db2.gz ODNPPQMJVJOENA-CYBMUJFWSA-N 1 1 233.355 2.291 20 30 BEEDMO CCCCCCC[C@H](C)[NH2+][C@@](N)(CC)CO ZINC001258040434 971561720 /nfs/dbraw/zinc/56/17/20/971561720.db2.gz CGJQETKDIMHHNT-STQMWFEESA-N 1 1 230.396 2.382 20 30 BEEDMO C#CC[N@H+](C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699505 971586986 /nfs/dbraw/zinc/58/69/86/971586986.db2.gz IRDIIJXIELDYAL-LBPRGKRZSA-N 1 1 235.277 2.387 20 30 BEEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001170759808 971735219 /nfs/dbraw/zinc/73/52/19/971735219.db2.gz DKKYCPNRMKDGFQ-FIQHERPVSA-N 1 1 204.317 2.266 20 30 BEEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](COC)C2)c1 ZINC001231658423 1169677253 /nfs/dbraw/zinc/67/72/53/1169677253.db2.gz WGANDPPALIBAKD-HNNXBMFYSA-N 1 1 229.323 2.136 20 30 BEEDMO C#Cc1cccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC001231657721 1169676279 /nfs/dbraw/zinc/67/62/79/1169676279.db2.gz LQGKTSAAUKEUHI-WFASDCNBSA-N 1 1 229.323 2.013 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)nc2)C1 ZINC001231657701 1169678382 /nfs/dbraw/zinc/67/83/82/1169678382.db2.gz QPHSXJUJZHLQJR-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)s1 ZINC001232845775 1169684898 /nfs/dbraw/zinc/68/48/98/1169684898.db2.gz PSCOQULLWDSMMB-CNDDSTCGSA-N 1 1 236.315 2.267 20 30 BEEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170827983 971931707 /nfs/dbraw/zinc/93/17/07/971931707.db2.gz QGWMKSXMJZEQHS-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCCOCC2)C1 ZINC001170827985 971933418 /nfs/dbraw/zinc/93/34/18/971933418.db2.gz QGWMKSXMJZEQHS-QWHCGFSZSA-N 1 1 222.332 2.181 20 30 BEEDMO CCCC[N@H+](CC#N)[C@@H]1CCCOCC1 ZINC001170831437 971949753 /nfs/dbraw/zinc/94/97/53/971949753.db2.gz OWSATNGDYYSVGF-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO CCCC[N@@H+](CC#N)[C@@H]1CCCOCC1 ZINC001170831437 971949758 /nfs/dbraw/zinc/94/97/58/971949758.db2.gz OWSATNGDYYSVGF-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO CCCCCCCCC[N@H+]1CCNC[C@H](O)C1 ZINC000310245027 971960324 /nfs/dbraw/zinc/96/03/24/971960324.db2.gz URKHETWHYAHBRM-AWEZNQCLSA-N 1 1 242.407 2.003 20 30 BEEDMO CCCCCCCCCN1CC[NH2+]C[C@H](O)C1 ZINC000310245027 971960335 /nfs/dbraw/zinc/96/03/35/971960335.db2.gz URKHETWHYAHBRM-AWEZNQCLSA-N 1 1 242.407 2.003 20 30 BEEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@@H](O)CN ZINC001172347434 974617723 /nfs/dbraw/zinc/61/77/23/974617723.db2.gz UTCFQLUBMZFRMV-OLZOCXBDSA-N 1 1 230.396 2.035 20 30 BEEDMO C=C1C[C@@H]2CC(N[C@@]3(C)CC[NH2+]C3)C[C@H](C1)C2 ZINC001246098611 972155652 /nfs/dbraw/zinc/15/56/52/972155652.db2.gz SMRWGDVARXXCMQ-IXXDHKBRSA-N 1 1 234.387 2.463 20 30 BEEDMO CCCc1cc(NCCCS)nc(C)[nH+]1 ZINC001159869379 972159839 /nfs/dbraw/zinc/15/98/39/972159839.db2.gz AYCKNRXJAOQOOM-UHFFFAOYSA-N 1 1 225.361 2.469 20 30 BEEDMO C=CCn1ccc2c1nc[nH+]c2NCCCS ZINC001170999728 972224793 /nfs/dbraw/zinc/22/47/93/972224793.db2.gz OOGOQOVIIOUAMD-UHFFFAOYSA-N 1 1 248.355 2.349 20 30 BEEDMO C#CCOCC[N@H+](C)C/C=C/c1ccccc1 ZINC001345030096 957035918 /nfs/dbraw/zinc/03/59/18/957035918.db2.gz NCMJPWWJBYOTKS-JXMROGBWSA-N 1 1 229.323 2.281 20 30 BEEDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000705287159 957075801 /nfs/dbraw/zinc/07/58/01/957075801.db2.gz XFMGJVNMEBRULX-GXFFZTMASA-N 1 1 248.301 2.043 20 30 BEEDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000705287159 957075818 /nfs/dbraw/zinc/07/58/18/957075818.db2.gz XFMGJVNMEBRULX-GXFFZTMASA-N 1 1 248.301 2.043 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC)C1 ZINC001266316313 957207954 /nfs/dbraw/zinc/20/79/54/957207954.db2.gz AEVLEMYRVFSLPU-QWHCGFSZSA-N 1 1 238.375 2.189 20 30 BEEDMO C#CCCC[N@H+](CC)CCN(CC)CC ZINC001209265728 957372689 /nfs/dbraw/zinc/37/26/89/957372689.db2.gz FUYNZUDCFBHVAG-UHFFFAOYSA-N 1 1 210.365 2.064 20 30 BEEDMO C#CCCCN(CC)CC[NH+](CC)CC ZINC001209265728 957372701 /nfs/dbraw/zinc/37/27/01/957372701.db2.gz FUYNZUDCFBHVAG-UHFFFAOYSA-N 1 1 210.365 2.064 20 30 BEEDMO C=CCCCCCC[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001209431424 957459266 /nfs/dbraw/zinc/45/92/66/957459266.db2.gz NJVNPMWRWALTRX-AWEZNQCLSA-N 1 1 241.375 2.206 20 30 BEEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001266475843 957617873 /nfs/dbraw/zinc/61/78/73/957617873.db2.gz NHJXDZSPLTUYQA-BNOWGMLFSA-N 1 1 236.359 2.036 20 30 BEEDMO C=CC[C@H]([NH3+])c1nc(-c2cnc(C)cc2C)no1 ZINC000397403013 957620664 /nfs/dbraw/zinc/62/06/64/957620664.db2.gz JAZBCRLEUDXLHF-NSHDSACASA-N 1 1 244.298 2.324 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1cccc2c1OCC2 ZINC000693089978 957668248 /nfs/dbraw/zinc/66/82/48/957668248.db2.gz GAFUEWQFXZPBSH-UHFFFAOYSA-N 1 1 230.311 2.261 20 30 BEEDMO N#C[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001207023946 957773792 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1 1 229.323 2.472 20 30 BEEDMO C#Cc1cccnc1NC[C@@H]1CCC[N@H+](CC)C1 ZINC001329975735 974063997 /nfs/dbraw/zinc/06/39/97/974063997.db2.gz HVAGYJGOLOQFAU-ZDUSSCGKSA-N 1 1 243.354 2.207 20 30 BEEDMO C#CC[N@H+](C)[C@H]1CCc2c(C)cccc2C1 ZINC001171570584 974104526 /nfs/dbraw/zinc/10/45/26/974104526.db2.gz MAMWZHZXLGKWJE-AWEZNQCLSA-N 1 1 213.324 2.417 20 30 BEEDMO C#CC[N@H+](CCCC(C)C)C1CSC1 ZINC001171867595 974207899 /nfs/dbraw/zinc/20/78/99/974207899.db2.gz IEAKQHSFAVCIJK-UHFFFAOYSA-N 1 1 211.374 2.473 20 30 BEEDMO N#Cc1ccccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001225200196 974218313 /nfs/dbraw/zinc/21/83/13/974218313.db2.gz WZUYKOGLRUISAS-GFCCVEGCSA-N 1 1 239.278 2.149 20 30 BEEDMO C=CC[N@H+]([C@H]1CCN(CC)C(=O)C1)C(C)(C)C ZINC001172054003 974267650 /nfs/dbraw/zinc/26/76/50/974267650.db2.gz UDJXSKCYCDRPEE-LBPRGKRZSA-N 1 1 238.375 2.284 20 30 BEEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C#N)CCC1)C2 ZINC001172099096 974341491 /nfs/dbraw/zinc/34/14/91/974341491.db2.gz IJDGODHHWJNLGI-XYYAHUGASA-N 1 1 233.359 2.038 20 30 BEEDMO C[NH+](C)Cc1ncccc1O[C@@H]1CC[C@@H](C#N)C1 ZINC001225278154 974344654 /nfs/dbraw/zinc/34/46/54/974344654.db2.gz BOFRMAXAEGCTBR-VXGBXAGGSA-N 1 1 245.326 2.214 20 30 BEEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1C#N)C2 ZINC001172126480 974350718 /nfs/dbraw/zinc/35/07/18/974350718.db2.gz WGWYHFIEGOZOKU-LXTVHRRPSA-N 1 1 247.386 2.380 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CC2(OC)CCC2)C1 ZINC001330622167 974355191 /nfs/dbraw/zinc/35/51/91/974355191.db2.gz QJVBQBKIYLVRGP-ZDUSSCGKSA-N 1 1 221.344 2.291 20 30 BEEDMO CC[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110810 974372136 /nfs/dbraw/zinc/37/21/36/974372136.db2.gz PKOBZFAVCAZRKO-XJFOESAGSA-N 1 1 235.375 2.284 20 30 BEEDMO CC[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110808 974374922 /nfs/dbraw/zinc/37/49/22/974374922.db2.gz PKOBZFAVCAZRKO-CRWXNKLISA-N 1 1 235.375 2.284 20 30 BEEDMO C=CC[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC001330660824 974390146 /nfs/dbraw/zinc/39/01/46/974390146.db2.gz BQLFHZFGAYNJTF-GFCCVEGCSA-N 1 1 210.365 2.367 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123573 974392004 /nfs/dbraw/zinc/39/20/04/974392004.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 1 1 246.398 2.347 20 30 BEEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1cc(O)ccc1F ZINC001330695863 974423514 /nfs/dbraw/zinc/42/35/14/974423514.db2.gz ADDRHNBGLMACPG-ZJUUUORDSA-N 1 1 239.290 2.383 20 30 BEEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCOCC1 ZINC001172308884 974517561 /nfs/dbraw/zinc/51/75/61/974517561.db2.gz NYSJHRUUMUAFPT-ZDUSSCGKSA-N 1 1 244.338 2.212 20 30 BEEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC1COC1 ZINC001172318464 974527016 /nfs/dbraw/zinc/52/70/16/974527016.db2.gz GMQYXCAZWVHALW-LBPRGKRZSA-N 1 1 244.338 2.067 20 30 BEEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C(C)(C)CN ZINC001172293152 974560023 /nfs/dbraw/zinc/56/00/23/974560023.db2.gz BRSZQLXNHRLTHJ-GFCCVEGCSA-N 1 1 245.370 2.158 20 30 BEEDMO C[C@H](Cc1ccc(C#N)cc1)N(C)C(C)(C)C[NH3+] ZINC001172293152 974560028 /nfs/dbraw/zinc/56/00/28/974560028.db2.gz BRSZQLXNHRLTHJ-GFCCVEGCSA-N 1 1 245.370 2.158 20 30 BEEDMO C=C[C@@H](COC)[NH2+]Cc1ccncc1Cl ZINC001331511298 974746863 /nfs/dbraw/zinc/74/68/63/974746863.db2.gz VJNLPSKGTOWKBR-JTQLQIEISA-N 1 1 226.707 2.026 20 30 BEEDMO Cc1noc(C2([NH2+][C@H](C)CCCC#N)CC2)n1 ZINC001172488580 974833011 /nfs/dbraw/zinc/83/30/11/974833011.db2.gz URJGOIZZLPLXHW-SECBINFHSA-N 1 1 234.303 2.039 20 30 BEEDMO CCC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172488869 974833965 /nfs/dbraw/zinc/83/39/65/974833965.db2.gz NEBPQYBQAYEWKD-RYUDHWBXSA-N 1 1 240.347 2.390 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](CO)CC1 ZINC001172492154 974839998 /nfs/dbraw/zinc/83/99/98/974839998.db2.gz JBFJSSUXORLMCJ-CHWSQXEVSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCCO[C@@H](C)C1 ZINC001172493928 974842372 /nfs/dbraw/zinc/84/23/72/974842372.db2.gz POBDWJFFZVHWDA-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO C=C1CC(C)(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001331866170 974843834 /nfs/dbraw/zinc/84/38/34/974843834.db2.gz LLJWQIVMOUGCFM-ZDUSSCGKSA-N 1 1 248.370 2.039 20 30 BEEDMO C[C@@H](CCCC#N)[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001172494844 974845377 /nfs/dbraw/zinc/84/53/77/974845377.db2.gz YKRSYGDBKJCOMV-WDEREUQCSA-N 1 1 226.295 2.072 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001172497359 974848784 /nfs/dbraw/zinc/84/87/84/974848784.db2.gz BBVCRBQEVBZZSJ-YVECIDJPSA-N 1 1 222.332 2.035 20 30 BEEDMO C[C@H](CCCC#N)[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001172498669 974850106 /nfs/dbraw/zinc/85/01/06/974850106.db2.gz PPRXECHLBWGUET-SNVBAGLBSA-N 1 1 244.285 2.179 20 30 BEEDMO C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001172499464 974850972 /nfs/dbraw/zinc/85/09/72/974850972.db2.gz XYZHKCKIQWZNTL-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001172499464 974850974 /nfs/dbraw/zinc/85/09/74/974850974.db2.gz XYZHKCKIQWZNTL-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO CC(C)[N@@H+](C)[C@H]1CCN([C@@H](C)CCCC#N)C1 ZINC001172499407 974851182 /nfs/dbraw/zinc/85/11/82/974851182.db2.gz WWBZAELUYBLXPW-KBPBESRZSA-N 1 1 237.391 2.483 20 30 BEEDMO CC(C)N(C)[C@H]1CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172499407 974851184 /nfs/dbraw/zinc/85/11/84/974851184.db2.gz WWBZAELUYBLXPW-KBPBESRZSA-N 1 1 237.391 2.483 20 30 BEEDMO CC(C)N(C)[C@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172499407 974851187 /nfs/dbraw/zinc/85/11/87/974851187.db2.gz WWBZAELUYBLXPW-KBPBESRZSA-N 1 1 237.391 2.483 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]12CCOC2 ZINC001172499334 974851220 /nfs/dbraw/zinc/85/12/20/974851220.db2.gz WGYQVLIOHBFHJR-QWHCGFSZSA-N 1 1 222.332 2.324 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172499255 974851397 /nfs/dbraw/zinc/85/13/97/974851397.db2.gz CJNGQTBVYRSXMM-CHWSQXEVSA-N 1 1 204.317 2.414 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001172499314 974852253 /nfs/dbraw/zinc/85/22/53/974852253.db2.gz WDRSOUGVTBHPJR-NSHDSACASA-N 1 1 245.326 2.228 20 30 BEEDMO CCN(CC)[C@H]1CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172500191 974852468 /nfs/dbraw/zinc/85/24/68/974852468.db2.gz KGBHDQJNODBUJH-KBPBESRZSA-N 1 1 237.391 2.485 20 30 BEEDMO CCN(CC)[C@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172500191 974852476 /nfs/dbraw/zinc/85/24/76/974852476.db2.gz KGBHDQJNODBUJH-KBPBESRZSA-N 1 1 237.391 2.485 20 30 BEEDMO CCN(CC)[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172500199 974854890 /nfs/dbraw/zinc/85/48/90/974854890.db2.gz KGBHDQJNODBUJH-ZIAGYGMSSA-N 1 1 237.391 2.485 20 30 BEEDMO CCN(CC)[C@@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172500199 974854894 /nfs/dbraw/zinc/85/48/94/974854894.db2.gz KGBHDQJNODBUJH-ZIAGYGMSSA-N 1 1 237.391 2.485 20 30 BEEDMO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H](O)CN ZINC001172500817 974855003 /nfs/dbraw/zinc/85/50/03/974855003.db2.gz AJVQGDWSMWEQKE-KGLIPLIRSA-N 1 1 244.423 2.425 20 30 BEEDMO Cc1nc2c(o1)CC[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001172503491 974856984 /nfs/dbraw/zinc/85/69/84/974856984.db2.gz GEPVFRLZPQUQNB-JTQLQIEISA-N 1 1 233.315 2.424 20 30 BEEDMO Cc1nc2c(o1)CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172503491 974856987 /nfs/dbraw/zinc/85/69/87/974856987.db2.gz GEPVFRLZPQUQNB-JTQLQIEISA-N 1 1 233.315 2.424 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001172506498 974859875 /nfs/dbraw/zinc/85/98/75/974859875.db2.gz VACRQBSOUIYPTH-FRRDWIJNSA-N 1 1 234.343 2.370 20 30 BEEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](N(C)C)C1 ZINC001172507459 974862838 /nfs/dbraw/zinc/86/28/38/974862838.db2.gz UXXFHONQHATCQA-STQMWFEESA-N 1 1 223.364 2.095 20 30 BEEDMO C[C@@H](CCCC#N)N1CCC[C@H]([NH+](C)C)C1 ZINC001172507459 974862843 /nfs/dbraw/zinc/86/28/43/974862843.db2.gz UXXFHONQHATCQA-STQMWFEESA-N 1 1 223.364 2.095 20 30 BEEDMO CCOC(=O)C[N@@H+]([C@@H](C)CCCC#N)C1CC1 ZINC001172510238 974864038 /nfs/dbraw/zinc/86/40/38/974864038.db2.gz YAKWUIHRYLBAKO-NSHDSACASA-N 1 1 238.331 2.096 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC001172630494 974893752 /nfs/dbraw/zinc/89/37/52/974893752.db2.gz NUZBFEXSLLBTMV-HZSPNIEDSA-N 1 1 249.354 2.063 20 30 BEEDMO C=CC[N@H+](C)[C@@H](C)CCC(=O)OC(C)C ZINC001172759229 974932064 /nfs/dbraw/zinc/93/20/64/974932064.db2.gz ONARXANOCPCSQO-NSHDSACASA-N 1 1 213.321 2.225 20 30 BEEDMO C=CC[N@H+](C)[C@H](C)CCC(=O)OC(C)C ZINC001172759219 974934357 /nfs/dbraw/zinc/93/43/57/974934357.db2.gz ONARXANOCPCSQO-LLVKDONJSA-N 1 1 213.321 2.225 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](OC)C2)C1 ZINC001172937588 974990929 /nfs/dbraw/zinc/99/09/29/974990929.db2.gz AWFVNBSMWRGOOK-MGPQQGTHSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC[N@H+](C)C1CCC(OCCC)CC1 ZINC001173100933 975022917 /nfs/dbraw/zinc/02/29/17/975022917.db2.gz ZJGNODCZKGTUPP-UHFFFAOYSA-N 1 1 209.333 2.289 20 30 BEEDMO C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)CCO1 ZINC001173173696 975052052 /nfs/dbraw/zinc/05/20/52/975052052.db2.gz QDRQDEKLLKFFBT-XQQFMLRXSA-N 1 1 222.332 2.180 20 30 BEEDMO C=CC[C@@H]([NH2+][C@@H]1CC[C@@H](CC)C1)C(=O)OC ZINC001173274888 975154827 /nfs/dbraw/zinc/15/48/27/975154827.db2.gz QQPIPBCTMRLLOT-IJLUTSLNSA-N 1 1 225.332 2.272 20 30 BEEDMO CCSC[C@@H](C)[N@H+](CC)CCC#N ZINC001173304754 975206726 /nfs/dbraw/zinc/20/67/26/975206726.db2.gz JJMYVCPUXLUWRF-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO CCSC[C@@H](C)[N@@H+](CC)CCC#N ZINC001173304754 975206735 /nfs/dbraw/zinc/20/67/35/975206735.db2.gz JJMYVCPUXLUWRF-SNVBAGLBSA-N 1 1 200.351 2.364 20 30 BEEDMO CCSC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001173305690 975211199 /nfs/dbraw/zinc/21/11/99/975211199.db2.gz BGHFSXHODJDQIQ-WDEREUQCSA-N 1 1 212.362 2.364 20 30 BEEDMO CCSC[C@H](C)[N@H+]1CCC[C@H](C#N)C1 ZINC001173305690 975211212 /nfs/dbraw/zinc/21/12/12/975211212.db2.gz BGHFSXHODJDQIQ-WDEREUQCSA-N 1 1 212.362 2.364 20 30 BEEDMO Cc1ccc(C[NH+]2C[C@@H](C)N(CC#N)[C@H](C)C2)o1 ZINC001332716564 975268918 /nfs/dbraw/zinc/26/89/18/975268918.db2.gz GOXNKTQDRMTQHS-VXGBXAGGSA-N 1 1 247.342 2.006 20 30 BEEDMO C=CCOC1CCC([NH+]2C[C@@H](F)[C@H](F)C2)CC1 ZINC001173321366 975269357 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ZINC000045915317 353141862 /nfs/dbraw/zinc/14/18/62/353141862.db2.gz DMCICIQLUHYTPD-UHFFFAOYSA-N 1 1 228.089 2.107 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(Br)o1 ZINC000045915317 353141864 /nfs/dbraw/zinc/14/18/64/353141864.db2.gz DMCICIQLUHYTPD-UHFFFAOYSA-N 1 1 228.089 2.107 20 30 BEEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(C#N)o1 ZINC000335953373 535201883 /nfs/dbraw/zinc/20/18/83/535201883.db2.gz UTMQGZKKLXMDSW-GFCCVEGCSA-N 1 1 204.273 2.382 20 30 BEEDMO CC#CC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000172718923 188079686 /nfs/dbraw/zinc/07/96/86/188079686.db2.gz OXQRFYXDSALAJR-UHFFFAOYSA-N 1 1 245.322 2.085 20 30 BEEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000172718923 188079688 /nfs/dbraw/zinc/07/96/88/188079688.db2.gz OXQRFYXDSALAJR-UHFFFAOYSA-N 1 1 245.322 2.085 20 30 BEEDMO CC#CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268281698 188089423 /nfs/dbraw/zinc/08/94/23/188089423.db2.gz PIGLWZUVUUUTOE-QWHCGFSZSA-N 1 1 233.311 2.191 20 30 BEEDMO C#Cc1cccc(N(C)CCn2cc[nH+]c2C)c1 ZINC000270830938 188090701 /nfs/dbraw/zinc/09/07/01/188090701.db2.gz CTRYHBLOHHFFKG-UHFFFAOYSA-N 1 1 239.322 2.309 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc2c[nH]nc2c1 ZINC000271140779 188090706 /nfs/dbraw/zinc/09/07/06/188090706.db2.gz PAEDVGBUXYGMFX-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO C#CC[N@H+](C[C@H](O)CCc1ccccc1)C1CC1 ZINC000274250975 188091758 /nfs/dbraw/zinc/09/17/58/188091758.db2.gz ZPCMJJNTUXCMLZ-MRXNPFEDSA-N 1 1 243.350 2.078 20 30 BEEDMO C#CC[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000274009528 188091961 /nfs/dbraw/zinc/09/19/61/188091961.db2.gz AJYZGAHKYLGYDG-UHFFFAOYSA-N 1 1 240.306 2.035 20 30 BEEDMO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)C1CC1 ZINC000274143702 188091988 /nfs/dbraw/zinc/09/19/88/188091988.db2.gz RHZYVVGWBGVNLO-UHFFFAOYSA-N 1 1 239.322 2.171 20 30 BEEDMO CC(C)(O)C[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC000276908253 188093996 /nfs/dbraw/zinc/09/39/96/188093996.db2.gz FKJAYUCVZXYIAL-UHFFFAOYSA-N 1 1 243.350 2.273 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(CC)CO)cc1 ZINC000278884758 188095984 /nfs/dbraw/zinc/09/59/84/188095984.db2.gz HGYRXZWGGIYJMV-MRXNPFEDSA-N 1 1 243.350 2.405 20 30 BEEDMO CC(C)=CC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609539347 353167518 /nfs/dbraw/zinc/16/75/18/353167518.db2.gz YAIILCXSWVUNDS-CQSZACIVSA-N 1 1 235.375 2.118 20 30 BEEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000266904404 188087985 /nfs/dbraw/zinc/08/79/85/188087985.db2.gz HKCZIRCJVRXZCH-CYBMUJFWSA-N 1 1 244.338 2.277 20 30 BEEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000266904404 188087987 /nfs/dbraw/zinc/08/79/87/188087987.db2.gz HKCZIRCJVRXZCH-CYBMUJFWSA-N 1 1 244.338 2.277 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000052867617 353218674 /nfs/dbraw/zinc/21/86/74/353218674.db2.gz XXODJGXEWZEWPU-ZDUSSCGKSA-N 1 1 238.375 2.143 20 30 BEEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000185330454 188170747 /nfs/dbraw/zinc/17/07/47/188170747.db2.gz NAEGTBZHPCMNRY-OAHLLOKOSA-N 1 1 246.354 2.397 20 30 BEEDMO C=CC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000121247220 324006767 /nfs/dbraw/zinc/00/67/67/324006767.db2.gz OJGUMZKDBKIHEF-UHFFFAOYSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000121377310 324009576 /nfs/dbraw/zinc/00/95/76/324009576.db2.gz VCTPAYUFQBKBAA-ZDUSSCGKSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@@H](C)CCCC(C)C ZINC000121377310 324009583 /nfs/dbraw/zinc/00/95/83/324009583.db2.gz VCTPAYUFQBKBAA-ZDUSSCGKSA-N 1 1 240.391 2.435 20 30 BEEDMO Cn1cc([C@@H]([NH2+]CCC#N)C(C)(C)C)cn1 ZINC000331360043 353246467 /nfs/dbraw/zinc/24/64/67/353246467.db2.gz XILZNAWYSVHYEU-LLVKDONJSA-N 1 1 220.320 2.011 20 30 BEEDMO C=CCCCC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000336763835 353250818 /nfs/dbraw/zinc/25/08/18/353250818.db2.gz PQZBKKJHGWQTOQ-OLZOCXBDSA-N 1 1 210.365 2.273 20 30 BEEDMO CC(C)[N@@H+](C)CCNc1ccc(C#N)cc1F ZINC000054128359 188222188 /nfs/dbraw/zinc/22/21/88/188222188.db2.gz YHWQCVYQLKSWGC-UHFFFAOYSA-N 1 1 235.306 2.449 20 30 BEEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)COC ZINC000072610671 353279833 /nfs/dbraw/zinc/27/98/33/353279833.db2.gz ZEJRQKRXZITDGZ-CYBMUJFWSA-N 1 1 247.338 2.165 20 30 BEEDMO N#Cc1cccc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000336222952 188228540 /nfs/dbraw/zinc/22/85/40/188228540.db2.gz XTPJKLJKMCVTPN-LBPRGKRZSA-N 1 1 204.248 2.102 20 30 BEEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336222952 188228542 /nfs/dbraw/zinc/22/85/42/188228542.db2.gz XTPJKLJKMCVTPN-LBPRGKRZSA-N 1 1 204.248 2.102 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341676 353333271 /nfs/dbraw/zinc/33/32/71/353333271.db2.gz XHPIHCXMMIQYIC-NSHDSACASA-N 1 1 221.304 2.134 20 30 BEEDMO C=CCCC[N@H+](C)CCCC(=O)OCC ZINC000076737687 353341200 /nfs/dbraw/zinc/34/12/00/353341200.db2.gz ZWTLIWAPNYZXAE-UHFFFAOYSA-N 1 1 213.321 2.228 20 30 BEEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000132073225 353373562 /nfs/dbraw/zinc/37/35/62/353373562.db2.gz GHLOMXCBOZZSFI-AWEZNQCLSA-N 1 1 247.338 2.472 20 30 BEEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000132073076 353374026 /nfs/dbraw/zinc/37/40/26/353374026.db2.gz GHLOMXCBOZZSFI-CQSZACIVSA-N 1 1 247.338 2.472 20 30 BEEDMO C=CC[N@@H+](C)Cc1c(OC)cccc1OC ZINC000639064279 353374419 /nfs/dbraw/zinc/37/44/19/353374419.db2.gz DEMHDBOQZDEWOD-UHFFFAOYSA-N 1 1 221.300 2.322 20 30 BEEDMO C=CC[N@H+](C)Cc1c(OC)cccc1OC ZINC000639064279 353374422 /nfs/dbraw/zinc/37/44/22/353374422.db2.gz DEMHDBOQZDEWOD-UHFFFAOYSA-N 1 1 221.300 2.322 20 30 BEEDMO C=CC[N@H+](C)Cc1ccccc1OCCCCO ZINC000639067870 353378123 /nfs/dbraw/zinc/37/81/23/353378123.db2.gz MYNOXTHCMVURGN-UHFFFAOYSA-N 1 1 249.354 2.456 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CC)CSC ZINC000091098006 353400317 /nfs/dbraw/zinc/40/03/17/353400317.db2.gz FKVOYXCANRUZLB-NWDGAFQWSA-N 1 1 231.405 2.387 20 30 BEEDMO C=CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091630064 353410020 /nfs/dbraw/zinc/41/00/20/353410020.db2.gz CUIOQDYYLMAKCM-GFCCVEGCSA-N 1 1 246.358 2.369 20 30 BEEDMO C=CCC[N@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000639090492 353450285 /nfs/dbraw/zinc/45/02/85/353450285.db2.gz HUZQQHYQTNMNIA-GFCCVEGCSA-N 1 1 219.332 2.379 20 30 BEEDMO C[C@@H](CO)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000282736270 353482436 /nfs/dbraw/zinc/48/24/36/353482436.db2.gz IUCRHHMQJFVPON-NSHDSACASA-N 1 1 237.730 2.004 20 30 BEEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)c2ccco2)C1=O ZINC000282055377 353461948 /nfs/dbraw/zinc/46/19/48/353461948.db2.gz RVXGBCXCSVMBCC-NWDGAFQWSA-N 1 1 248.326 2.059 20 30 BEEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccco2)C1=O ZINC000282055377 353461950 /nfs/dbraw/zinc/46/19/50/353461950.db2.gz RVXGBCXCSVMBCC-NWDGAFQWSA-N 1 1 248.326 2.059 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)C(C)C ZINC000284376602 353515492 /nfs/dbraw/zinc/51/54/92/353515492.db2.gz UNMAPQKFSUOWBE-OAHLLOKOSA-N 1 1 249.329 2.278 20 30 BEEDMO C[C@@H](O)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000135098899 353526230 /nfs/dbraw/zinc/52/62/30/353526230.db2.gz VEWGQERGWUDGOV-LLVKDONJSA-N 1 1 237.730 2.004 20 30 BEEDMO C=CCCC[N@H+](C)CCc1cnn(CC)c1 ZINC000285051113 353526772 /nfs/dbraw/zinc/52/67/72/353526772.db2.gz OCKQPZQBZBLCSK-UHFFFAOYSA-N 1 1 221.348 2.344 20 30 BEEDMO C#CC[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000061760877 353531296 /nfs/dbraw/zinc/53/12/96/353531296.db2.gz BQIVFKADIJBWIO-UHFFFAOYSA-N 1 1 244.338 2.279 20 30 BEEDMO C#CC[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000061760877 353531298 /nfs/dbraw/zinc/53/12/98/353531298.db2.gz BQIVFKADIJBWIO-UHFFFAOYSA-N 1 1 244.338 2.279 20 30 BEEDMO C[N@H+](CC#Cc1ccccc1)CCOCC1CC1 ZINC000192067230 353535195 /nfs/dbraw/zinc/53/51/95/353535195.db2.gz BDOCEUQYYVRMRP-UHFFFAOYSA-N 1 1 243.350 2.397 20 30 BEEDMO C=CC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000192205702 353536511 /nfs/dbraw/zinc/53/65/11/353536511.db2.gz BHQOOPIJPJZSRR-CYBMUJFWSA-N 1 1 230.311 2.058 20 30 BEEDMO C=CC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000192205702 353536514 /nfs/dbraw/zinc/53/65/14/353536514.db2.gz BHQOOPIJPJZSRR-CYBMUJFWSA-N 1 1 230.311 2.058 20 30 BEEDMO C#CC[N@H+](C)CCCc1ccccc1OC ZINC000192224006 353538471 /nfs/dbraw/zinc/53/84/71/353538471.db2.gz CGMIOSXECNEVOR-UHFFFAOYSA-N 1 1 217.312 2.193 20 30 BEEDMO C#CC[N@H+](CCC(C)(C)O)Cc1ccccc1 ZINC000285864573 353547203 /nfs/dbraw/zinc/54/72/03/353547203.db2.gz XSRZQTWPEWONOI-UHFFFAOYSA-N 1 1 231.339 2.283 20 30 BEEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](C)O ZINC000192973898 353575860 /nfs/dbraw/zinc/57/58/60/353575860.db2.gz FSFXVYPFSDSUHH-ZDUSSCGKSA-N 1 1 219.328 2.098 20 30 BEEDMO C#CC[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000193148587 353580923 /nfs/dbraw/zinc/58/09/23/353580923.db2.gz DEMDNJMJBWHRTD-UHFFFAOYSA-N 1 1 249.741 2.257 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285767111 353550678 /nfs/dbraw/zinc/55/06/78/353550678.db2.gz SNWYJWZGQVIYPT-JTQLQIEISA-N 1 1 207.277 2.091 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285767111 353550683 /nfs/dbraw/zinc/55/06/83/353550683.db2.gz SNWYJWZGQVIYPT-JTQLQIEISA-N 1 1 207.277 2.091 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](C)OC ZINC000285777417 353551120 /nfs/dbraw/zinc/55/11/20/353551120.db2.gz SLICPRASRGRKCI-CYBMUJFWSA-N 1 1 217.312 2.157 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ncccc1C ZINC000286259070 353553778 /nfs/dbraw/zinc/55/37/78/353553778.db2.gz SRNABOQZFHHNIE-UHFFFAOYSA-N 1 1 202.301 2.234 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1CSC ZINC000135445247 353558942 /nfs/dbraw/zinc/55/89/42/353558942.db2.gz QPGKVSHPHCASMX-NWDGAFQWSA-N 1 1 229.389 2.141 20 30 BEEDMO C#CC[N@@H+](CC)CCC(=O)c1ccc(OC)cc1 ZINC000286515239 353562558 /nfs/dbraw/zinc/56/25/58/353562558.db2.gz SCAMFWNZYQXIPB-UHFFFAOYSA-N 1 1 245.322 2.223 20 30 BEEDMO C#Cc1ccc(CN[C@@H](C)CC[NH+](C)C)cc1 ZINC000289283050 353621768 /nfs/dbraw/zinc/62/17/68/353621768.db2.gz OWIJBVSDKRCZKB-ZDUSSCGKSA-N 1 1 230.355 2.098 20 30 BEEDMO C#Cc1ccc(C[NH2+][C@@H](C)CCN(C)C)cc1 ZINC000289283050 353621770 /nfs/dbraw/zinc/62/17/70/353621770.db2.gz OWIJBVSDKRCZKB-ZDUSSCGKSA-N 1 1 230.355 2.098 20 30 BEEDMO C#Cc1ccc(CNCC[N@@H+](CC)C2CC2)cc1 ZINC000289361228 353626501 /nfs/dbraw/zinc/62/65/01/353626501.db2.gz YRTVNGSCKYQFAV-UHFFFAOYSA-N 1 1 242.366 2.242 20 30 BEEDMO C#Cc1ccc(CNCC[N@H+](CC)C2CC2)cc1 ZINC000289361228 353626502 /nfs/dbraw/zinc/62/65/02/353626502.db2.gz YRTVNGSCKYQFAV-UHFFFAOYSA-N 1 1 242.366 2.242 20 30 BEEDMO C#Cc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000289537662 353631202 /nfs/dbraw/zinc/63/12/02/353631202.db2.gz QHWHQGUTKVHQQG-GASCZTMLSA-N 1 1 229.323 2.277 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1 ZINC000290071037 353646931 /nfs/dbraw/zinc/64/69/31/353646931.db2.gz QAINEDFCOSPLII-OAHLLOKOSA-N 1 1 229.323 2.136 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1 ZINC000290071032 353647332 /nfs/dbraw/zinc/64/73/32/353647332.db2.gz QAINEDFCOSPLII-HNNXBMFYSA-N 1 1 229.323 2.136 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cnn(C=C)c1 ZINC000193983661 353607988 /nfs/dbraw/zinc/60/79/88/353607988.db2.gz QJJOCOUZCZIHOZ-UHFFFAOYSA-N 1 1 205.305 2.382 20 30 BEEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1 ZINC000289077985 353617303 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CC[C@H](CC#N)[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000191497924 357774376 /nfs/dbraw/zinc/77/43/76/357774376.db2.gz OFCCJZSRLQOHEJ-CYBMUJFWSA-N 1 1 246.358 2.320 20 30 BEEDMO C=CC[N@@H+](CCOC)Cc1ccc(C#N)s1 ZINC000191763629 357794697 /nfs/dbraw/zinc/79/46/97/357794697.db2.gz XCSSTIFEANGZOA-UHFFFAOYSA-N 1 1 236.340 2.254 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccc(C#N)s1 ZINC000191763629 357794699 /nfs/dbraw/zinc/79/46/99/357794699.db2.gz XCSSTIFEANGZOA-UHFFFAOYSA-N 1 1 236.340 2.254 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)CC1CCOCC1 ZINC000192141540 357824467 /nfs/dbraw/zinc/82/44/67/357824467.db2.gz ZRHGAYVCNPKYID-UHFFFAOYSA-N 1 1 243.350 2.397 20 30 BEEDMO C=CC[N@H+](C)Cc1ccc(N(C)CC)nc1 ZINC000191533946 357784242 /nfs/dbraw/zinc/78/42/42/357784242.db2.gz KAKNITQCMVLLOU-UHFFFAOYSA-N 1 1 219.332 2.156 20 30 BEEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000234273271 357788625 /nfs/dbraw/zinc/78/86/25/357788625.db2.gz YZOJBIDKFWRJCP-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCC#N 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ZINC000274116264 359510406 /nfs/dbraw/zinc/51/04/06/359510406.db2.gz GCRXRZQBBMHRHB-UHFFFAOYSA-N 1 1 240.306 2.164 20 30 BEEDMO C#CC[N@@H+](Cc1scnc1C)C1CC1 ZINC000274143738 359511902 /nfs/dbraw/zinc/51/19/02/359511902.db2.gz RKJNBKOVCUFNHC-UHFFFAOYSA-N 1 1 206.314 2.049 20 30 BEEDMO C#CC[N@H+](Cc1scnc1C)C1CC1 ZINC000274143738 359511904 /nfs/dbraw/zinc/51/19/04/359511904.db2.gz RKJNBKOVCUFNHC-UHFFFAOYSA-N 1 1 206.314 2.049 20 30 BEEDMO Cc1cccc2c1CC[C@H]2[NH2+]CCC#N ZINC000580434792 359545730 /nfs/dbraw/zinc/54/57/30/359545730.db2.gz GTPJQCWIJAJOJR-CYBMUJFWSA-N 1 1 200.285 2.486 20 30 BEEDMO Cn1c[nH+]cc1CCSc1cccnc1C#N ZINC000580449023 359555348 /nfs/dbraw/zinc/55/53/48/359555348.db2.gz CRDVNWVYLWMZAM-UHFFFAOYSA-N 1 1 244.323 2.022 20 30 BEEDMO COC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000160961357 359591672 /nfs/dbraw/zinc/59/16/72/359591672.db2.gz OULQAKJWCGYENA-AWEZNQCLSA-N 1 1 248.301 2.308 20 30 BEEDMO COC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000160961357 359591673 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/nfs/dbraw/zinc/34/84/40/385348440.db2.gz FJWWLUWODKSMOI-UHFFFAOYSA-N 1 1 239.322 2.327 20 30 BEEDMO CCCC[C@@H]([NH2+]CCCCC#N)C(=O)OC ZINC000179332956 385374852 /nfs/dbraw/zinc/37/48/52/385374852.db2.gz JRVMVQYPKQGYEF-LLVKDONJSA-N 1 1 226.320 2.002 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000161678632 385443690 /nfs/dbraw/zinc/44/36/90/385443690.db2.gz RUOCIDQGACYFNZ-YVECIDJPSA-N 1 1 210.365 2.269 20 30 BEEDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C)nc(C#N)c1 ZINC000308266221 385445865 /nfs/dbraw/zinc/44/58/65/385445865.db2.gz GJNMRISXFXVKHU-CQSZACIVSA-N 1 1 244.342 2.158 20 30 BEEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000382156944 385491322 /nfs/dbraw/zinc/49/13/22/385491322.db2.gz SKNAGNBHVUOWAN-UHFFFAOYSA-N 1 1 245.326 2.227 20 30 BEEDMO Cc1ccnc(N[C@H](C)C[N@@H+](C)C(C)C)c1C#N ZINC000290667496 385518363 /nfs/dbraw/zinc/51/83/63/385518363.db2.gz KBUXEMGUQDQGFH-GFCCVEGCSA-N 1 1 246.358 2.402 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444733487 385490348 /nfs/dbraw/zinc/49/03/48/385490348.db2.gz XMBITGQDQIIECQ-WDEREUQCSA-N 1 1 249.276 2.035 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000491700943 385565607 /nfs/dbraw/zinc/56/56/07/385565607.db2.gz GTAJZRGASYZVCM-CYBMUJFWSA-N 1 1 239.322 2.461 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000491700943 385565608 /nfs/dbraw/zinc/56/56/08/385565608.db2.gz GTAJZRGASYZVCM-CYBMUJFWSA-N 1 1 239.322 2.461 20 30 BEEDMO CSC[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000336681958 385636489 /nfs/dbraw/zinc/63/64/89/385636489.db2.gz HWTNAVJVBPVLAR-LLVKDONJSA-N 1 1 212.362 2.365 20 30 BEEDMO CC[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596434 385622876 /nfs/dbraw/zinc/62/28/76/385622876.db2.gz QHLOKWSFIMRZGE-WDEREUQCSA-N 1 1 212.337 2.017 20 30 BEEDMO C[N@@H+]1CC[C@@]2(C1)CCCN(CCC(C)(C)C#N)C2 ZINC000595505259 385631857 /nfs/dbraw/zinc/63/18/57/385631857.db2.gz RJJIBBDDUVWVTH-OAHLLOKOSA-N 1 1 249.402 2.344 20 30 BEEDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCC(C)(C)C#N)C2 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CC[C@@H](C)[N@@H+](CCO)Cc1cccc(C#N)c1 ZINC000267139618 386108417 /nfs/dbraw/zinc/10/84/17/386108417.db2.gz HVXKQEXGPOJWPE-GFCCVEGCSA-N 1 1 232.327 2.151 20 30 BEEDMO C=CC[N@H+](C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425431554 386069385 /nfs/dbraw/zinc/06/93/85/386069385.db2.gz IKJDBYIBXITYCP-AWEZNQCLSA-N 1 1 247.338 2.451 20 30 BEEDMO C[N@@H+](CCCCC#N)Cc1cn2c(n1)CCCC2 ZINC000365382827 386072190 /nfs/dbraw/zinc/07/21/90/386072190.db2.gz YAGXADFHPAMSDT-UHFFFAOYSA-N 1 1 246.358 2.345 20 30 BEEDMO Cc1cc(C[NH2+]Cc2cc(C#N)cs2)on1 ZINC000086500282 386161351 /nfs/dbraw/zinc/16/13/51/386161351.db2.gz MCEDPBPYOWRDRV-UHFFFAOYSA-N 1 1 233.296 2.206 20 30 BEEDMO C=CCOCCC[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430281561 386129280 /nfs/dbraw/zinc/12/92/80/386129280.db2.gz SNLIKTMABCHMHC-LBPRGKRZSA-N 1 1 209.333 2.477 20 30 BEEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCC(C)(C)C#N)C1 ZINC000347169586 386266260 /nfs/dbraw/zinc/26/62/60/386266260.db2.gz OSDIAHJUPKTITM-OCCSQVGLSA-N 1 1 238.375 2.409 20 30 BEEDMO CC(C)C[C@@H](CO)[N@@H+](C)CCC(C)(C)C#N ZINC000347241901 386275366 /nfs/dbraw/zinc/27/53/66/386275366.db2.gz XQUUZGPLJSZYSO-LBPRGKRZSA-N 1 1 226.364 2.265 20 30 BEEDMO CC(C)[N@@H+](C)CCNc1ccc(C#N)cc1 ZINC000054128490 386375149 /nfs/dbraw/zinc/37/51/49/386375149.db2.gz YTJRLKQKSZUDKF-UHFFFAOYSA-N 1 1 217.316 2.310 20 30 BEEDMO CC[N@@H+](CC[C@@H]1CCCCO1)C[C@@H](C)C#N ZINC000347394972 386381654 /nfs/dbraw/zinc/38/16/54/386381654.db2.gz BRGMRJCLYOBYDU-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO C=C(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000453307726 386389343 /nfs/dbraw/zinc/38/93/43/386389343.db2.gz CASQIBGKNLPKKM-BFHYXJOUSA-N 1 1 222.376 2.415 20 30 BEEDMO C=CCOCCC[N@H+](C)C1CC(OCC)C1 ZINC000347465542 386414216 /nfs/dbraw/zinc/41/42/16/386414216.db2.gz XYNPMMRVUIGBNN-UHFFFAOYSA-N 1 1 227.348 2.078 20 30 BEEDMO CCCC[N@@H+](CCOC)CC1(C#N)CC1 ZINC000347492912 386421702 /nfs/dbraw/zinc/42/17/02/386421702.db2.gz VXKUFICILLFBNV-UHFFFAOYSA-N 1 1 210.321 2.039 20 30 BEEDMO C=CCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650438 386488409 /nfs/dbraw/zinc/48/84/09/386488409.db2.gz PCCVMEOWCWGASC-UHFFFAOYSA-N 1 1 217.316 2.085 20 30 BEEDMO CC#CC[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000339759449 386593156 /nfs/dbraw/zinc/59/31/56/386593156.db2.gz FGVXXCUIBCGZPJ-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO CC#CC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000339759449 386593164 /nfs/dbraw/zinc/59/31/64/386593164.db2.gz FGVXXCUIBCGZPJ-UHFFFAOYSA-N 1 1 227.311 2.098 20 30 BEEDMO C=C(C)C[NH2+][C@H](CO)c1c(F)cccc1F ZINC000336647240 386660435 /nfs/dbraw/zinc/66/04/35/386660435.db2.gz BSEYMNQMOWAGRP-LLVKDONJSA-N 1 1 227.254 2.164 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000520575104 386702473 /nfs/dbraw/zinc/70/24/73/386702473.db2.gz BSQYGNYDXHSDFH-KBPBESRZSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CCOc1cccc(CNC[C@H](C)C[NH2+]C)c1 ZINC000414831723 386714809 /nfs/dbraw/zinc/71/48/09/386714809.db2.gz DNQYGLDCLXRQPT-CYBMUJFWSA-N 1 1 248.370 2.197 20 30 BEEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000645091816 386716898 /nfs/dbraw/zinc/71/68/98/386716898.db2.gz UJMFRQUMLKWQKO-CQSZACIVSA-N 1 1 249.358 2.068 20 30 BEEDMO C=C(C)CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000452720322 386751671 /nfs/dbraw/zinc/75/16/71/386751671.db2.gz WHHZRFXDOKUQPV-CYBMUJFWSA-N 1 1 238.375 2.333 20 30 BEEDMO COc1ccc(C[N@@H+](C)CC2CC2)cc1C#N ZINC000087833198 386782031 /nfs/dbraw/zinc/78/20/31/386782031.db2.gz YMKIDGMTVBTYIB-UHFFFAOYSA-N 1 1 230.311 2.409 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000525125770 259695848 /nfs/dbraw/zinc/69/58/48/259695848.db2.gz KFFFSDMNPGWEMI-SNVBAGLBSA-N 1 1 235.249 2.053 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000525125770 259695849 /nfs/dbraw/zinc/69/58/49/259695849.db2.gz KFFFSDMNPGWEMI-SNVBAGLBSA-N 1 1 235.249 2.053 20 30 BEEDMO CCC[N@H+](CC)CCN[C@H]1CCC[C@H](C#N)C1 ZINC000192925403 386797896 /nfs/dbraw/zinc/79/78/96/386797896.db2.gz PEEOTMZFTIAIFQ-KBPBESRZSA-N 1 1 237.391 2.390 20 30 BEEDMO CCC[N@@H+](CC)CCN[C@H]1CCC[C@H](C#N)C1 ZINC000192925403 386797902 /nfs/dbraw/zinc/79/79/02/386797902.db2.gz PEEOTMZFTIAIFQ-KBPBESRZSA-N 1 1 237.391 2.390 20 30 BEEDMO CC(C)[N@@H+](C)CCCNc1cccc(C#N)n1 ZINC000229781263 386812767 /nfs/dbraw/zinc/81/27/67/386812767.db2.gz OTXKGKQFVINHQV-UHFFFAOYSA-N 1 1 232.331 2.095 20 30 BEEDMO C=CC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000334749299 386814932 /nfs/dbraw/zinc/81/49/32/386814932.db2.gz AHRMGLKJRGSOQB-VXGBXAGGSA-N 1 1 207.317 2.206 20 30 BEEDMO C=CC[N@@H+](CCc1ccco1)[C@H]1CCOC1 ZINC000411496818 386825800 /nfs/dbraw/zinc/82/58/00/386825800.db2.gz YPZAEVXZOGYTBV-LBPRGKRZSA-N 1 1 221.300 2.099 20 30 BEEDMO CC[C@H](C)[N@@H+](CCO)CCC(C)(C)C#N ZINC000336672969 386830898 /nfs/dbraw/zinc/83/08/98/386830898.db2.gz GSDVPOFWXWAWLM-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO CCC#C[C@H](C)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187061 386850737 /nfs/dbraw/zinc/85/07/37/386850737.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO CCC#C[C@H](C)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000645187061 386850742 /nfs/dbraw/zinc/85/07/42/386850742.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000645187061 386850745 /nfs/dbraw/zinc/85/07/45/386850745.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO C=CCSCC[NH2+][C@H](C)[C@H]1CCCCN1 ZINC000395090427 386856409 /nfs/dbraw/zinc/85/64/09/386856409.db2.gz UKRYXMVGAVRFLH-VXGBXAGGSA-N 1 1 228.405 2.026 20 30 BEEDMO N#CCC1CC[NH+](Cc2nccs2)CC1 ZINC000334831943 386868175 /nfs/dbraw/zinc/86/81/75/386868175.db2.gz PKXOKJCJCFZYEG-UHFFFAOYSA-N 1 1 221.329 2.269 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398796615 386993804 /nfs/dbraw/zinc/99/38/04/386993804.db2.gz PRRNEOAMFGYLFY-XQQFMLRXSA-N 1 1 236.359 2.019 20 30 BEEDMO C=C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000341945514 387001075 /nfs/dbraw/zinc/00/10/75/387001075.db2.gz OWYOSBXOKPTTOC-JSGCOSHPSA-N 1 1 246.354 2.370 20 30 BEEDMO C=CC[N@@H+](C)Cc1ccnn1CC(C)C ZINC000648026216 387035850 /nfs/dbraw/zinc/03/58/50/387035850.db2.gz UXOGKYNFYRRSTB-UHFFFAOYSA-N 1 1 207.321 2.157 20 30 BEEDMO C=CC[N@H+](C)Cc1ccnn1CC(C)C ZINC000648026216 387035852 /nfs/dbraw/zinc/03/58/52/387035852.db2.gz UXOGKYNFYRRSTB-UHFFFAOYSA-N 1 1 207.321 2.157 20 30 BEEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276757704 387074983 /nfs/dbraw/zinc/07/49/83/387074983.db2.gz MDJQTOUJCAUMBS-NSHDSACASA-N 1 1 219.332 2.373 20 30 BEEDMO CCC[N@@H+](C)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000456969236 387115748 /nfs/dbraw/zinc/11/57/48/387115748.db2.gz QGVAYKBONAVABC-UHFFFAOYSA-N 1 1 245.326 2.147 20 30 BEEDMO N#CCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186664410 387120088 /nfs/dbraw/zinc/12/00/88/387120088.db2.gz DYVSAJFSPWUQSK-HNNXBMFYSA-N 1 1 242.322 2.422 20 30 BEEDMO C=CCC[C@@H](CCC)NCC(F)(F)C[NH3+] ZINC000423319854 387162704 /nfs/dbraw/zinc/16/27/04/387162704.db2.gz FTGVTTSXFMFMST-SNVBAGLBSA-N 1 1 220.307 2.305 20 30 BEEDMO C=CC[C@@H](C)[C@H](C)[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828301 387215205 /nfs/dbraw/zinc/21/52/05/387215205.db2.gz RCMDGFLEFWIZFJ-YXMPFFBPSA-N 1 1 231.405 2.286 20 30 BEEDMO C=CCC[C@@H]([NH2+]C[C@@H](C)NCC)C1CC1 ZINC000423371442 387223886 /nfs/dbraw/zinc/22/38/86/387223886.db2.gz FQURTFVHWKNLHA-DGCLKSJQSA-N 1 1 210.365 2.319 20 30 BEEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000120825597 387200452 /nfs/dbraw/zinc/20/04/52/387200452.db2.gz IMKXIPIPWVGDHX-QWHCGFSZSA-N 1 1 238.375 2.189 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000230352645 387262317 /nfs/dbraw/zinc/26/23/17/387262317.db2.gz SGPOXPDBWHLACN-ZDUSSCGKSA-N 1 1 224.348 2.163 20 30 BEEDMO C=CCCOCC[NH2+][C@H](C)c1cc(C)on1 ZINC000285425559 387265413 /nfs/dbraw/zinc/26/54/13/387265413.db2.gz YIJOMUZWHOPWPP-LLVKDONJSA-N 1 1 224.304 2.226 20 30 BEEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191246660 387356117 /nfs/dbraw/zinc/35/61/17/387356117.db2.gz GSYKSLXBRKJKNG-LLVKDONJSA-N 1 1 219.332 2.375 20 30 BEEDMO Cn1cc(C[NH2+]CC(C)(C)C#N)c(C(C)(C)C)n1 ZINC000168941973 387371148 /nfs/dbraw/zinc/37/11/48/387371148.db2.gz KQQZQLDHPHWYKM-UHFFFAOYSA-N 1 1 248.374 2.357 20 30 BEEDMO C=CCOc1ccc(C[N@H+](CC)[C@H](C)CO)cc1 ZINC000354431088 387373942 /nfs/dbraw/zinc/37/39/42/387373942.db2.gz MTYDLORFRRFQRN-CYBMUJFWSA-N 1 1 249.354 2.454 20 30 BEEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)o1 ZINC000191175517 387353016 /nfs/dbraw/zinc/35/30/16/387353016.db2.gz PRAQWKAPHQORNJ-UHFFFAOYSA-N 1 1 243.310 2.430 20 30 BEEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)n(C)c2)o1 ZINC000191175517 387353021 /nfs/dbraw/zinc/35/30/21/387353021.db2.gz PRAQWKAPHQORNJ-UHFFFAOYSA-N 1 1 243.310 2.430 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccccc1NC(C)=O ZINC000271115969 387434368 /nfs/dbraw/zinc/43/43/68/387434368.db2.gz BUEZJSUKANURTC-UHFFFAOYSA-N 1 1 230.311 2.100 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@H](O)CC ZINC000270528039 387435268 /nfs/dbraw/zinc/43/52/68/387435268.db2.gz NWZSELBJXGBSDL-OAHLLOKOSA-N 1 1 231.339 2.283 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(OCC)c1O ZINC000271136296 387439950 /nfs/dbraw/zinc/43/99/50/387439950.db2.gz MZZZISHMNZDAQQ-UHFFFAOYSA-N 1 1 233.311 2.246 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC=C(C)CC1 ZINC000270332946 387440521 /nfs/dbraw/zinc/44/05/21/387440521.db2.gz MDOIUJRUDHEVJV-UHFFFAOYSA-N 1 1 236.359 2.063 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000271538852 387445701 /nfs/dbraw/zinc/44/57/01/387445701.db2.gz YODFYAOPQXNZEH-CQSZACIVSA-N 1 1 231.339 2.283 20 30 BEEDMO CC#CC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273033823 387452943 /nfs/dbraw/zinc/45/29/43/387452943.db2.gz UZJXLJDYBNLQRS-LBPRGKRZSA-N 1 1 215.296 2.293 20 30 BEEDMO CC#CC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000273033823 387452949 /nfs/dbraw/zinc/45/29/49/387452949.db2.gz UZJXLJDYBNLQRS-LBPRGKRZSA-N 1 1 215.296 2.293 20 30 BEEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000191377552 387387997 /nfs/dbraw/zinc/38/79/97/387387997.db2.gz ISAHJASRPOOUCC-WDEREUQCSA-N 1 1 249.383 2.223 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000265992578 387399946 /nfs/dbraw/zinc/39/99/46/387399946.db2.gz GITWYUSKTDWJFC-UHFFFAOYSA-N 1 1 216.328 2.208 20 30 BEEDMO C=CCCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000515641438 387407053 /nfs/dbraw/zinc/40/70/53/387407053.db2.gz RVEHNTWCUQSAJY-UHFFFAOYSA-N 1 1 234.347 2.091 20 30 BEEDMO C=CCCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000515641438 387407058 /nfs/dbraw/zinc/40/70/58/387407058.db2.gz RVEHNTWCUQSAJY-UHFFFAOYSA-N 1 1 234.347 2.091 20 30 BEEDMO C=CCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000267226750 387408097 /nfs/dbraw/zinc/40/80/97/387408097.db2.gz KDCVKGVVXAPIDW-UHFFFAOYSA-N 1 1 219.288 2.052 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267315749 387409759 /nfs/dbraw/zinc/40/97/59/387409759.db2.gz NJYPIBAKHLRNSO-UHFFFAOYSA-N 1 1 248.282 2.059 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267315749 387409762 /nfs/dbraw/zinc/40/97/62/387409762.db2.gz NJYPIBAKHLRNSO-UHFFFAOYSA-N 1 1 248.282 2.059 20 30 BEEDMO C=CCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000515671644 387410802 /nfs/dbraw/zinc/41/08/02/387410802.db2.gz QNKPWCTWJMVKTB-CQSZACIVSA-N 1 1 244.338 2.044 20 30 BEEDMO C=CCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000515671644 387410806 /nfs/dbraw/zinc/41/08/06/387410806.db2.gz QNKPWCTWJMVKTB-CQSZACIVSA-N 1 1 244.338 2.044 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(O)c(OCC)c1 ZINC000267922864 387413329 /nfs/dbraw/zinc/41/33/29/387413329.db2.gz JOXMBTZZIYKISZ-UHFFFAOYSA-N 1 1 233.311 2.246 20 30 BEEDMO Cc1ccc(NCc2cc(C#N)n(C)c2)[nH+]c1 ZINC000191517871 387479720 /nfs/dbraw/zinc/47/97/20/387479720.db2.gz PYSDWVOWNFKSEL-UHFFFAOYSA-N 1 1 226.283 2.212 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CCOCC1 ZINC000104196058 387484378 /nfs/dbraw/zinc/48/43/78/387484378.db2.gz LRQZFCUJNFQNHE-UHFFFAOYSA-N 1 1 244.338 2.417 20 30 BEEDMO C=C(C)CC[N@@H+](C)CCCn1ccnc1C ZINC000274786452 387492470 /nfs/dbraw/zinc/49/24/70/387492470.db2.gz AXKHZBQSFIIKRX-UHFFFAOYSA-N 1 1 221.348 2.480 20 30 BEEDMO CC[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H](C)C#N ZINC000193501049 387598204 /nfs/dbraw/zinc/59/82/04/387598204.db2.gz JAHHWQIJRNMSEW-UKRRQHHQSA-N 1 1 246.354 2.072 20 30 BEEDMO CC[N@H+](C[C@H](O)Cc1ccccc1)C[C@H](C)C#N ZINC000193501049 387598210 /nfs/dbraw/zinc/59/82/10/387598210.db2.gz JAHHWQIJRNMSEW-UKRRQHHQSA-N 1 1 246.354 2.072 20 30 BEEDMO CC1=C[C@@H](C)C[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000430267122 387603665 /nfs/dbraw/zinc/60/36/65/387603665.db2.gz JBECMHRGIWFHHN-YPMHNXCESA-N 1 1 217.316 2.328 20 30 BEEDMO CC1=C[C@@H](C)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000430267122 387603671 /nfs/dbraw/zinc/60/36/71/387603671.db2.gz JBECMHRGIWFHHN-YPMHNXCESA-N 1 1 217.316 2.328 20 30 BEEDMO C=Cn1cc(C[NH+]2CCC(=C)CC2)cn1 ZINC000278231624 387550775 /nfs/dbraw/zinc/55/07/75/387550775.db2.gz MTKNBNQGFDKOCV-UHFFFAOYSA-N 1 1 203.289 2.136 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454950 387569520 /nfs/dbraw/zinc/56/95/20/387569520.db2.gz RELWMCRCICZAEI-UONOGXRCSA-N 1 1 248.370 2.061 20 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387968967 /nfs/dbraw/zinc/96/89/67/387968967.db2.gz SCBVKHOFVTYDSD-ZDUSSCGKSA-N 1 1 244.338 2.317 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H](C)C1 ZINC000248572817 135020563 /nfs/dbraw/zinc/02/05/63/135020563.db2.gz RRWCKGPTPNRNJR-STQMWFEESA-N 1 1 211.349 2.436 20 30 BEEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC000424337714 387979972 /nfs/dbraw/zinc/97/99/72/387979972.db2.gz MBBJPGGXAYMWJG-LLVKDONJSA-N 1 1 242.282 2.430 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000194360231 387980711 /nfs/dbraw/zinc/98/07/11/387980711.db2.gz HFDHBWQVQIGICO-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(CC)C[N@H+]1CCc2ncsc2C1 ZINC000445845181 387975038 /nfs/dbraw/zinc/97/50/38/387975038.db2.gz PDNBHRXOXTVSTC-UHFFFAOYSA-N 1 1 208.330 2.467 20 30 BEEDMO C=CCC[N@H+](C)CCc1cccc(C)n1 ZINC000645885960 387984309 /nfs/dbraw/zinc/98/43/09/387984309.db2.gz SFYSTPQZHXEZMK-UHFFFAOYSA-N 1 1 204.317 2.440 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1C ZINC000245847967 387985864 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/nfs/dbraw/zinc/02/73/92/388027392.db2.gz VRDXLRSDQATPHS-LBPRGKRZSA-N 1 1 221.300 2.142 20 30 BEEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000160192204 388052187 /nfs/dbraw/zinc/05/21/87/388052187.db2.gz ZHARBMBBEQDCMQ-GFCCVEGCSA-N 1 1 225.332 2.228 20 30 BEEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000447539203 388076694 /nfs/dbraw/zinc/07/66/94/388076694.db2.gz FUQCGXBMLLHQOB-QPSCCSFWSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000447539203 388076696 /nfs/dbraw/zinc/07/66/96/388076696.db2.gz FUQCGXBMLLHQOB-QPSCCSFWSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000447539203 388076698 /nfs/dbraw/zinc/07/66/98/388076698.db2.gz FUQCGXBMLLHQOB-QPSCCSFWSA-N 1 1 247.386 2.285 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000536891503 388081671 /nfs/dbraw/zinc/08/16/71/388081671.db2.gz HAYCQBXSEQCJHY-ZDUSSCGKSA-N 1 1 233.359 2.251 20 30 BEEDMO C=C(CC)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447848800 388098268 /nfs/dbraw/zinc/09/82/68/388098268.db2.gz NBKZAAZGVSEHDI-IHRRRGAJSA-N 1 1 239.359 2.221 20 30 BEEDMO C=CCCC[C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400323511 388115665 /nfs/dbraw/zinc/11/56/65/388115665.db2.gz APQMREGCPGQDTA-AVGNSLFASA-N 1 1 210.365 2.461 20 30 BEEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000448883479 388117320 /nfs/dbraw/zinc/11/73/20/388117320.db2.gz QXXRFVFVTFTYHD-NSHDSACASA-N 1 1 226.364 2.045 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000646027611 388126991 /nfs/dbraw/zinc/12/69/91/388126991.db2.gz RZCJDKOERDYLKW-NSHDSACASA-N 1 1 226.364 2.045 20 30 BEEDMO C=C(C)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646100624 388143101 /nfs/dbraw/zinc/14/31/01/388143101.db2.gz YJFUBRAIZNZWQC-LBPRGKRZSA-N 1 1 209.333 2.454 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCCc1ccc(C)nc1 ZINC000490740071 388251715 /nfs/dbraw/zinc/25/17/15/388251715.db2.gz MFYNBHMISSBEGW-ZDUSSCGKSA-N 1 1 216.328 2.276 20 30 BEEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)CCC#N ZINC000449422668 388201129 /nfs/dbraw/zinc/20/11/29/388201129.db2.gz NCAVSXLLTMSASZ-CHWSQXEVSA-N 1 1 238.375 2.409 20 30 BEEDMO C#CC[N@H+](Cc1cnc(C)nc1)C1CCCC1 ZINC000490897788 388259064 /nfs/dbraw/zinc/25/90/64/388259064.db2.gz FOMZLBAMMBBJFF-UHFFFAOYSA-N 1 1 229.327 2.163 20 30 BEEDMO CCN1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449446973 388208841 /nfs/dbraw/zinc/20/88/41/388208841.db2.gz VBXZIDDJEQNFSP-QPSCCSFWSA-N 1 1 249.402 2.389 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000449469474 388212859 /nfs/dbraw/zinc/21/28/59/388212859.db2.gz MPYMYOGZRRJRDL-GFCCVEGCSA-N 1 1 246.301 2.018 20 30 BEEDMO CCC[N@@H+](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000456725064 388217056 /nfs/dbraw/zinc/21/70/56/388217056.db2.gz GBLUQHLFJNBHHT-UHFFFAOYSA-N 1 1 245.326 2.033 20 30 BEEDMO C=C(CC)C[N@@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000489470569 388217337 /nfs/dbraw/zinc/21/73/37/388217337.db2.gz GBSUHAWUZPFRKL-CHWSQXEVSA-N 1 1 227.348 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2.283 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000491285494 388282538 /nfs/dbraw/zinc/28/25/38/388282538.db2.gz CYVQQZNQQCABOF-ZDUSSCGKSA-N 1 1 239.322 2.461 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000491285494 388282539 /nfs/dbraw/zinc/28/25/39/388282539.db2.gz CYVQQZNQQCABOF-ZDUSSCGKSA-N 1 1 239.322 2.461 20 30 BEEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(C2CC2)o1 ZINC000451678305 388289479 /nfs/dbraw/zinc/28/94/79/388289479.db2.gz DZNKKIXOIGXRCC-NEPJUHHUSA-N 1 1 248.326 2.375 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000491381505 388290088 /nfs/dbraw/zinc/29/00/88/388290088.db2.gz FSYXRUKDQWEUNK-JTQLQIEISA-N 1 1 201.260 2.377 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC000491381519 388290201 /nfs/dbraw/zinc/29/02/01/388290201.db2.gz FUXYDEHRFMUUMT-GFCCVEGCSA-N 1 1 227.311 2.096 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc2ccc(C)cn12 ZINC000491381519 388290202 /nfs/dbraw/zinc/29/02/02/388290202.db2.gz FUXYDEHRFMUUMT-GFCCVEGCSA-N 1 1 227.311 2.096 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720240 388291266 /nfs/dbraw/zinc/29/12/66/388291266.db2.gz XWXJHVSQRFONNF-JHJVBQTASA-N 1 1 209.333 2.045 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451720235 388291432 /nfs/dbraw/zinc/29/14/32/388291432.db2.gz XWXJHVSQRFONNF-AGIUHOORSA-N 1 1 209.333 2.045 20 30 BEEDMO C#CC[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000491392714 388291443 /nfs/dbraw/zinc/29/14/43/388291443.db2.gz DSLVVSMNBXUHBS-UHFFFAOYSA-N 1 1 208.692 2.108 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000491392714 388291445 /nfs/dbraw/zinc/29/14/45/388291445.db2.gz DSLVVSMNBXUHBS-UHFFFAOYSA-N 1 1 208.692 2.108 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720128 388291715 /nfs/dbraw/zinc/29/17/15/388291715.db2.gz XTGXVNMMUVAIHH-MGPQQGTHSA-N 1 1 236.359 2.163 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CC1(CC)CCOCC1 ZINC000491404935 388292289 /nfs/dbraw/zinc/29/22/89/388292289.db2.gz FORKIFGGWDRWED-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C(C)C ZINC000491405175 388292422 /nfs/dbraw/zinc/29/24/22/388292422.db2.gz HFXHQWXUVNYBJH-OAHLLOKOSA-N 1 1 234.387 2.108 20 30 BEEDMO C#C[C@@H](NC1CC[NH+](CC2CC2)CC1)C(C)C ZINC000491405175 388292423 /nfs/dbraw/zinc/29/24/23/388292423.db2.gz HFXHQWXUVNYBJH-OAHLLOKOSA-N 1 1 234.387 2.108 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CC1(CC)CCOCC1 ZINC000491404934 388292586 /nfs/dbraw/zinc/29/25/86/388292586.db2.gz FORKIFGGWDRWED-GFCCVEGCSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CC1(OC)CCCCC1 ZINC000491414392 388293026 /nfs/dbraw/zinc/29/30/26/388293026.db2.gz CJJLJVHYVKBVMR-LBPRGKRZSA-N 1 1 209.333 2.289 20 30 BEEDMO C=CCCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751051 388293316 /nfs/dbraw/zinc/29/33/16/388293316.db2.gz AMBDCJTXWLKGTL-HNNXBMFYSA-N 1 1 229.389 2.186 20 30 BEEDMO C#CC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000491420410 388293360 /nfs/dbraw/zinc/29/33/60/388293360.db2.gz XTAMXHIZOBKZFQ-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C#CC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000491426371 388293751 /nfs/dbraw/zinc/29/37/51/388293751.db2.gz GBEPTPBHTBOJOY-UHFFFAOYSA-N 1 1 217.699 2.257 20 30 BEEDMO C#CC[N@H+](C)CC#Cc1ccccc1Cl ZINC000491426371 388293752 /nfs/dbraw/zinc/29/37/52/388293752.db2.gz GBEPTPBHTBOJOY-UHFFFAOYSA-N 1 1 217.699 2.257 20 30 BEEDMO C[N@@H+](CCCCC#N)[C@@H](CO)CC(C)(C)C ZINC000451781175 388295461 /nfs/dbraw/zinc/29/54/61/388295461.db2.gz OPDNGVIXYZNLJS-GFCCVEGCSA-N 1 1 226.364 2.409 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1sc(C)nc1C ZINC000491454168 388295839 /nfs/dbraw/zinc/29/58/39/388295839.db2.gz WLKUYKTXCFOEHS-MRVPVSSYSA-N 1 1 208.330 2.213 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)nn1C)C1CCCCC1 ZINC000491465695 388296593 /nfs/dbraw/zinc/29/65/93/388296593.db2.gz XHIHETJNUKWLRF-UHFFFAOYSA-N 1 1 245.370 2.496 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000491483797 388297575 /nfs/dbraw/zinc/29/75/75/388297575.db2.gz FHJOWOZMGYCJQA-SNVBAGLBSA-N 1 1 216.259 2.151 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000491483797 388297576 /nfs/dbraw/zinc/29/75/76/388297576.db2.gz FHJOWOZMGYCJQA-SNVBAGLBSA-N 1 1 216.259 2.151 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000491513629 388300201 /nfs/dbraw/zinc/30/02/01/388300201.db2.gz DIVMFRYDZVUIER-JTQLQIEISA-N 1 1 219.332 2.161 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000491513629 388300203 /nfs/dbraw/zinc/30/02/03/388300203.db2.gz DIVMFRYDZVUIER-JTQLQIEISA-N 1 1 219.332 2.161 20 30 BEEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000451875787 388302300 /nfs/dbraw/zinc/30/23/00/388302300.db2.gz DBFRDGZDKKSMIC-LBPRGKRZSA-N 1 1 240.391 2.435 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000491621439 388305415 /nfs/dbraw/zinc/30/54/15/388305415.db2.gz DNOCDAFMTXYATO-LBPRGKRZSA-N 1 1 217.312 2.457 20 30 BEEDMO C#CC[N@@H+](Cc1c(C)cc(OC)nc1C)C1CC1 ZINC000491631645 388306752 /nfs/dbraw/zinc/30/67/52/388306752.db2.gz ONBZQPJLTQSNKJ-UHFFFAOYSA-N 1 1 244.338 2.305 20 30 BEEDMO C#CC[N@H+](Cc1c(C)cc(OC)nc1C)C1CC1 ZINC000491631645 388306753 /nfs/dbraw/zinc/30/67/53/388306753.db2.gz ONBZQPJLTQSNKJ-UHFFFAOYSA-N 1 1 244.338 2.305 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000491656834 388308639 /nfs/dbraw/zinc/30/86/39/388308639.db2.gz IJXOFSFOXBBLEZ-LLVKDONJSA-N 1 1 233.359 2.171 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000491656834 388308640 /nfs/dbraw/zinc/30/86/40/388308640.db2.gz IJXOFSFOXBBLEZ-LLVKDONJSA-N 1 1 233.359 2.171 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCOc1ccccc1OC ZINC000491656559 388308664 /nfs/dbraw/zinc/30/86/64/388308664.db2.gz TULMNQLQLCEVMN-GFCCVEGCSA-N 1 1 233.311 2.028 20 30 BEEDMO C#CC[N@H+](CCn1ccnc1C)C1CCCC1 ZINC000491667877 388309684 /nfs/dbraw/zinc/30/96/84/388309684.db2.gz YBHVWNMZQQUQOM-UHFFFAOYSA-N 1 1 231.343 2.069 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000491672362 388309766 /nfs/dbraw/zinc/30/97/66/388309766.db2.gz YJWOOFDIZYHLHR-GFCCVEGCSA-N 1 1 247.338 2.466 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000491698500 388312440 /nfs/dbraw/zinc/31/24/40/388312440.db2.gz CQCDXSFNUOTUHF-LBPRGKRZSA-N 1 1 217.312 2.457 20 30 BEEDMO C#CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CC1 ZINC000491700626 388312621 /nfs/dbraw/zinc/31/26/21/388312621.db2.gz GMOQNAPCRMHEQX-BBRMVZONSA-N 1 1 243.350 2.249 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000491702286 388312905 /nfs/dbraw/zinc/31/29/05/388312905.db2.gz RABVOVOKLHTGEZ-SNVBAGLBSA-N 1 1 232.283 2.357 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(CC)s1 ZINC000491705745 388313460 /nfs/dbraw/zinc/31/34/60/388313460.db2.gz MDBAINZVZTZQFX-VIFPVBQESA-N 1 1 208.330 2.159 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(CC)s1 ZINC000491705745 388313461 /nfs/dbraw/zinc/31/34/61/388313461.db2.gz MDBAINZVZTZQFX-VIFPVBQESA-N 1 1 208.330 2.159 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000491709455 388313836 /nfs/dbraw/zinc/31/38/36/388313836.db2.gz WWBMJAZSMBMOSE-NSHDSACASA-N 1 1 228.295 2.020 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000491709455 388313837 /nfs/dbraw/zinc/31/38/37/388313837.db2.gz WWBMJAZSMBMOSE-NSHDSACASA-N 1 1 228.295 2.020 20 30 BEEDMO C#CC[N@H+](C[C@H](O)C(C)(C)C)C1CCCC1 ZINC000491731554 388315818 /nfs/dbraw/zinc/31/58/18/388315818.db2.gz IRXSAYZAKQVCFH-ZDUSSCGKSA-N 1 1 223.360 2.271 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000491738757 388316535 /nfs/dbraw/zinc/31/65/35/388316535.db2.gz ITOVNCYCNKSRAP-UHFFFAOYSA-N 1 1 216.259 2.152 20 30 BEEDMO C#CC[N@H+](Cc1cncc(OC)c1)C1CCCC1 ZINC000491754409 388318306 /nfs/dbraw/zinc/31/83/06/388318306.db2.gz SOKOYHGQPMRCSH-UHFFFAOYSA-N 1 1 244.338 2.468 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(Cl)cn1)C1CC1 ZINC000491757893 388318566 /nfs/dbraw/zinc/31/85/66/388318566.db2.gz GFFGZKQSSXTDLR-UHFFFAOYSA-N 1 1 220.703 2.333 20 30 BEEDMO C#CC[N@H+](Cc1ccc(Cl)cn1)C1CC1 ZINC000491757893 388318567 /nfs/dbraw/zinc/31/85/67/388318567.db2.gz GFFGZKQSSXTDLR-UHFFFAOYSA-N 1 1 220.703 2.333 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491761743 388318675 /nfs/dbraw/zinc/31/86/75/388318675.db2.gz WXKJMMSJDHVVHF-UHFFFAOYSA-N 1 1 229.283 2.125 20 30 BEEDMO C#CC[N@H+](C[C@H]1C[C@@H](O)C1)C1CCCCC1 ZINC000491770957 388318968 /nfs/dbraw/zinc/31/89/68/388318968.db2.gz POWQDXLHERPMRN-XBXGTLAGSA-N 1 1 221.344 2.025 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491782441 388320581 /nfs/dbraw/zinc/32/05/81/388320581.db2.gz NHGDGWAWZVUMCA-CYBMUJFWSA-N 1 1 242.322 2.433 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCN(C)Cc1ccccc1 ZINC000491811144 388322549 /nfs/dbraw/zinc/32/25/49/388322549.db2.gz KVHZZAROPNFLOG-AWEZNQCLSA-N 1 1 230.355 2.072 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC000491811144 388322550 /nfs/dbraw/zinc/32/25/50/388322550.db2.gz KVHZZAROPNFLOG-AWEZNQCLSA-N 1 1 230.355 2.072 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCc1cncs1 ZINC000491816764 388323409 /nfs/dbraw/zinc/32/34/09/388323409.db2.gz XJKJSJSHWFLIDG-UHFFFAOYSA-N 1 1 208.330 2.029 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(C2CC2)s1 ZINC000491822071 388324191 /nfs/dbraw/zinc/32/41/91/388324191.db2.gz ZJJMLFAUGMRTQD-VIFPVBQESA-N 1 1 220.341 2.474 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(C2CC2)s1 ZINC000491822071 388324192 /nfs/dbraw/zinc/32/41/92/388324192.db2.gz ZJJMLFAUGMRTQD-VIFPVBQESA-N 1 1 220.341 2.474 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367633 388266145 /nfs/dbraw/zinc/26/61/45/388266145.db2.gz KHVIPCXNGCXUIZ-JKJDWNRSSA-N 1 1 247.382 2.458 20 30 BEEDMO C#CC[N@H+](CCCOCC=C)C1CCCC1 ZINC000491040366 388266662 /nfs/dbraw/zinc/26/66/62/388266662.db2.gz TVVAWDGZRXUFKH-UHFFFAOYSA-N 1 1 221.344 2.457 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@H](OC)c1ccccc1 ZINC000491101774 388269384 /nfs/dbraw/zinc/26/93/84/388269384.db2.gz KXZLIZIMXXZSGI-JSGCOSHPSA-N 1 1 217.312 2.328 20 30 BEEDMO C#CC[N@H+](CCC1(OC)CCC1)C1CC1 ZINC000491119277 388269609 /nfs/dbraw/zinc/26/96/09/388269609.db2.gz HYURMMMNEGVNRD-UHFFFAOYSA-N 1 1 207.317 2.043 20 30 BEEDMO CC#CCC[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451542643 388277819 /nfs/dbraw/zinc/27/78/19/388277819.db2.gz NWBBZWRMTAAEMI-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCn1ccc(C[N@H+](CC)CC[C@@H](C)F)n1 ZINC000491210440 388277894 /nfs/dbraw/zinc/27/78/94/388277894.db2.gz UJGFEVRTXINHNJ-GFCCVEGCSA-N 1 1 237.322 2.086 20 30 BEEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@@H](C)F)n1 ZINC000491210440 388277896 /nfs/dbraw/zinc/27/78/96/388277896.db2.gz UJGFEVRTXINHNJ-GFCCVEGCSA-N 1 1 237.322 2.086 20 30 BEEDMO C#CC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491240879 388278933 /nfs/dbraw/zinc/27/89/33/388278933.db2.gz DOPSOUGPURITKC-UHFFFAOYSA-N 1 1 238.674 2.313 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491240879 388278935 /nfs/dbraw/zinc/27/89/35/388278935.db2.gz DOPSOUGPURITKC-UHFFFAOYSA-N 1 1 238.674 2.313 20 30 BEEDMO CCO[C@H]1CC[N@@H+](CCCC#N)C[C@H]1C ZINC000451533164 388279949 /nfs/dbraw/zinc/27/99/49/388279949.db2.gz VZMWRAUVYIMLBZ-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO C#CCN[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000491254292 388280217 /nfs/dbraw/zinc/28/02/17/388280217.db2.gz RUOOZYPQWMBJBE-UHFFFAOYSA-N 1 1 235.718 2.259 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1OC ZINC000491252332 388280328 /nfs/dbraw/zinc/28/03/28/388280328.db2.gz HLYQYBZSNLGIAE-GFCCVEGCSA-N 1 1 217.312 2.457 20 30 BEEDMO CC#CCC[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451542642 388280587 /nfs/dbraw/zinc/28/05/87/388280587.db2.gz NWBBZWRMTAAEMI-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C[C@H](O)C[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000594055885 388347109 /nfs/dbraw/zinc/34/71/09/388347109.db2.gz PGLBBGUVEQRDMJ-JTQLQIEISA-N 1 1 248.301 2.043 20 30 BEEDMO C=CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648788092 388356255 /nfs/dbraw/zinc/35/62/55/388356255.db2.gz RDIHJLDIMYYXCR-RYUDHWBXSA-N 1 1 249.358 2.477 20 30 BEEDMO C=CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648788090 388356646 /nfs/dbraw/zinc/35/66/46/388356646.db2.gz RDIHJLDIMYYXCR-NEPJUHHUSA-N 1 1 249.358 2.477 20 30 BEEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cnn(C)c1 ZINC000162877389 388364056 /nfs/dbraw/zinc/36/40/56/388364056.db2.gz HRHHGMXHKUQDNT-NSHDSACASA-N 1 1 240.310 2.143 20 30 BEEDMO C[C@@H]1C[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000548753432 388368239 /nfs/dbraw/zinc/36/82/39/388368239.db2.gz WSJJOGSAALUFQH-TXEJJXNPSA-N 1 1 230.311 2.420 20 30 BEEDMO C=CCCCC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000572711110 388368772 /nfs/dbraw/zinc/36/87/72/388368772.db2.gz MBGBBSGTSGLIHU-AWEZNQCLSA-N 1 1 248.374 2.346 20 30 BEEDMO CC[C@@H](C)[N@@H+](C)CCNCc1cccc(C#N)c1 ZINC000217395523 388372246 /nfs/dbraw/zinc/37/22/46/388372246.db2.gz XSEWKMRYLIDRPC-CYBMUJFWSA-N 1 1 245.370 2.378 20 30 BEEDMO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000217395523 388372250 /nfs/dbraw/zinc/37/22/50/388372250.db2.gz XSEWKMRYLIDRPC-CYBMUJFWSA-N 1 1 245.370 2.378 20 30 BEEDMO Cn1c[nH+]cc1CCSc1ccncc1C#N ZINC000594910270 388373065 /nfs/dbraw/zinc/37/30/65/388373065.db2.gz XBVRLUJTUYRCMQ-UHFFFAOYSA-N 1 1 244.323 2.022 20 30 BEEDMO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000594914050 388373263 /nfs/dbraw/zinc/37/32/63/388373263.db2.gz CBRDJYCAFQQPMP-NSHDSACASA-N 1 1 240.310 2.441 20 30 BEEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000520390931 256671727 /nfs/dbraw/zinc/67/17/27/256671727.db2.gz PUEVZJXSQDKIHN-CYBMUJFWSA-N 1 1 240.391 2.387 20 30 BEEDMO CC[N@@H+](C)CCNc1cc(C(C)=O)ccc1C#N ZINC000272543693 388457080 /nfs/dbraw/zinc/45/70/80/388457080.db2.gz QHHSCYNAJWLVLM-UHFFFAOYSA-N 1 1 245.326 2.124 20 30 BEEDMO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)no1 ZINC000309593108 388457978 /nfs/dbraw/zinc/45/79/78/388457978.db2.gz VJWIXFJOARWULH-GARJFASQSA-N 1 1 219.288 2.326 20 30 BEEDMO C#CCN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000309652544 388460926 /nfs/dbraw/zinc/46/09/26/388460926.db2.gz OPAFYLGBIAAKFZ-KGLIPLIRSA-N 1 1 222.376 2.110 20 30 BEEDMO C=C(C)[C@H](CO)[N@@H+](C)CCCc1ccccc1 ZINC000649246392 388468343 /nfs/dbraw/zinc/46/83/43/388468343.db2.gz UBRPMXJWYZSYDA-HNNXBMFYSA-N 1 1 233.355 2.488 20 30 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C=CCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000524971703 388413896 /nfs/dbraw/zinc/41/38/96/388413896.db2.gz VKVSTGLLPINZGK-ZDUSSCGKSA-N 1 1 219.328 2.446 20 30 BEEDMO C=C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648820466 388414284 /nfs/dbraw/zinc/41/42/84/388414284.db2.gz IHJYNCGVPHVWQV-MNOVXSKESA-N 1 1 235.331 2.087 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000525125753 388417703 /nfs/dbraw/zinc/41/77/03/388417703.db2.gz KFFFSDMNPGWEMI-JTQLQIEISA-N 1 1 235.249 2.053 20 30 BEEDMO CC#CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000525125753 388417705 /nfs/dbraw/zinc/41/77/05/388417705.db2.gz KFFFSDMNPGWEMI-JTQLQIEISA-N 1 1 235.249 2.053 20 30 BEEDMO C#CC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175379541 388430849 /nfs/dbraw/zinc/43/08/49/388430849.db2.gz FZRYMTNVHVSBGG-BDJLRTHQSA-N 1 1 235.352 2.050 20 30 BEEDMO C#CC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175379541 388430852 /nfs/dbraw/zinc/43/08/52/388430852.db2.gz FZRYMTNVHVSBGG-BDJLRTHQSA-N 1 1 235.352 2.050 20 30 BEEDMO 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C=CC[N@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000121463666 135223208 /nfs/dbraw/zinc/22/32/08/135223208.db2.gz DVSLTMFSIKRPLQ-UHFFFAOYSA-N 1 1 232.327 2.006 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000342004953 135245524 /nfs/dbraw/zinc/24/55/24/135245524.db2.gz ACTJUVBNXRLNCC-YNEHKIRRSA-N 1 1 238.375 2.188 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341999857 135245626 /nfs/dbraw/zinc/24/56/26/135245626.db2.gz YNPHPDSXIMWHDH-ZDUSSCGKSA-N 1 1 209.333 2.455 20 30 BEEDMO C=C(C)C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342154760 135251477 /nfs/dbraw/zinc/25/14/77/135251477.db2.gz NFGVRXDFFOAPHQ-TZMCWYRMSA-N 1 1 237.343 2.228 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccnc(OC)c1 ZINC000342743082 135310449 /nfs/dbraw/zinc/31/04/49/135310449.db2.gz YFJODQUQJMFLLR-UHFFFAOYSA-N 1 1 206.289 2.098 20 30 BEEDMO C=CCC[N@H+](C)Cc1cccc(OCC)n1 ZINC000342732066 135316818 /nfs/dbraw/zinc/31/68/18/135316818.db2.gz DFGWBDMDSUGKEH-UHFFFAOYSA-N 1 1 220.316 2.488 20 30 BEEDMO 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C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000299891256 176168195 /nfs/dbraw/zinc/16/81/95/176168195.db2.gz LDQHGMZNNLHWDT-VXGBXAGGSA-N 1 1 224.348 2.019 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000190690119 176173743 /nfs/dbraw/zinc/17/37/43/176173743.db2.gz NJAFYOJRKFDYAP-LLVKDONJSA-N 1 1 249.383 2.224 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1C ZINC000091860056 176174409 /nfs/dbraw/zinc/17/44/09/176174409.db2.gz CHMPRNVVSJHUMM-NXEZZACHSA-N 1 1 204.273 2.382 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCC#N)CCC1(F)F ZINC000336373593 176288243 /nfs/dbraw/zinc/28/82/43/176288243.db2.gz ITZTYPKBZSJQCZ-SECBINFHSA-N 1 1 202.248 2.267 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCCO1 ZINC000061918352 176304217 /nfs/dbraw/zinc/30/42/17/176304217.db2.gz UJBVBOGSQTYVQQ-GFCCVEGCSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@@H]1C[NH+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000336447376 176312391 /nfs/dbraw/zinc/31/23/91/176312391.db2.gz AJOFFSJXJXWFIY-RKDXNWHRSA-N 1 1 221.329 2.103 20 30 BEEDMO 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CC[C@H](CC#N)[NH2+]Cc1cccc(O)c1 ZINC000054183184 536057966 /nfs/dbraw/zinc/05/79/66/536057966.db2.gz DHVSHGUHWJTBMF-LLVKDONJSA-N 1 1 204.273 2.174 20 30 BEEDMO C[N@@H+](CCC#N)CCCOc1ccc(F)cc1 ZINC000052870174 536299135 /nfs/dbraw/zinc/29/91/35/536299135.db2.gz SQXGAVRNBGJTSD-UHFFFAOYSA-N 1 1 236.290 2.440 20 30 BEEDMO C[N@H+](CCC#N)CCCOc1ccc(F)cc1 ZINC000052870174 536299138 /nfs/dbraw/zinc/29/91/38/536299138.db2.gz SQXGAVRNBGJTSD-UHFFFAOYSA-N 1 1 236.290 2.440 20 30 BEEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCC[C@H]1O ZINC000305797031 536314528 /nfs/dbraw/zinc/31/45/28/536314528.db2.gz FZCYXSGHSGAGAO-CHWSQXEVSA-N 1 1 238.375 2.409 20 30 BEEDMO CO[C@H]1CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C1 ZINC000304149698 536745408 /nfs/dbraw/zinc/74/54/08/536745408.db2.gz GRLAJSACWRXEKU-RYUDHWBXSA-N 1 1 224.348 2.426 20 30 BEEDMO CO[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000234796824 536745468 /nfs/dbraw/zinc/74/54/68/536745468.db2.gz MPZMTZUDSJVTIV-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO COCC1(C[N@@H+](C[C@@H](C)C#N)C2CC2)CCC1 ZINC000361328291 536819884 /nfs/dbraw/zinc/81/98/84/536819884.db2.gz JZIFQVTVJXIWAO-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO C=CCC[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893930288 583249980 /nfs/dbraw/zinc/24/99/80/583249980.db2.gz XLGCRICNENVORE-NWDGAFQWSA-N 1 1 243.322 2.128 20 30 BEEDMO C#Cc1cccnc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000853183416 588723851 /nfs/dbraw/zinc/72/38/51/588723851.db2.gz IBQCLWGTTKXDFK-KGLIPLIRSA-N 1 1 241.338 2.102 20 30 BEEDMO C#Cc1cccnc1NC[C@@H]1CC[N@H+](CCC)C1 ZINC000853230409 588728001 /nfs/dbraw/zinc/72/80/01/588728001.db2.gz YXKCCCMLHFSKFB-ZDUSSCGKSA-N 1 1 243.354 2.207 20 30 BEEDMO CC[N@@H+](CCNc1nc(C#N)ccc1C)C(C)C ZINC000853253591 588729384 /nfs/dbraw/zinc/72/93/84/588729384.db2.gz OCFKJNAIZAPJDZ-UHFFFAOYSA-N 1 1 246.358 2.404 20 30 BEEDMO C=CC[C@H]1CCCCC1=NN1CC[NH+](C)CC1 ZINC000853256415 588729762 /nfs/dbraw/zinc/72/97/62/588729762.db2.gz XVPYLOYYMHEZFI-ZDUSSCGKSA-N 1 1 235.375 2.356 20 30 BEEDMO C#Cc1cccnc1NCC[N@H+](C)CCCC ZINC000853320812 588732414 /nfs/dbraw/zinc/73/24/14/588732414.db2.gz FHBQPFJZZSEMMA-UHFFFAOYSA-N 1 1 231.343 2.207 20 30 BEEDMO C[C@@H]1CCCCN1N=C1CC[N@@H+](C)[C@H](C)C1 ZINC000853381162 588739637 /nfs/dbraw/zinc/73/96/37/588739637.db2.gz XQCCIQZSURZOLF-VXGBXAGGSA-N 1 1 223.364 2.331 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccnc(Cl)c2)C[N@H+]1C ZINC000853395286 588740805 /nfs/dbraw/zinc/74/08/05/588740805.db2.gz RLZQSRDILHECJY-MRVPVSSYSA-N 1 1 238.722 2.227 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](C)[C@@H](C)C1=O ZINC000853598377 588750220 /nfs/dbraw/zinc/75/02/20/588750220.db2.gz QCURSOAXFTYIPR-RFQIPJPRSA-N 1 1 248.370 2.241 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1ccsc1=O ZINC000853598181 588750305 /nfs/dbraw/zinc/75/03/05/588750305.db2.gz NLFUEQHDULLNAW-PHIMTYICSA-N 1 1 236.340 2.050 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccsc1=O ZINC000853598181 588750306 /nfs/dbraw/zinc/75/03/06/588750306.db2.gz NLFUEQHDULLNAW-PHIMTYICSA-N 1 1 236.340 2.050 20 30 BEEDMO C=C(Cl)CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000853667175 588753743 /nfs/dbraw/zinc/75/37/43/588753743.db2.gz ZCLFVXKGRZEYIE-SNVBAGLBSA-N 1 1 245.754 2.112 20 30 BEEDMO CC(C)[C@H](C)O[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000853679571 588755466 /nfs/dbraw/zinc/75/54/66/588755466.db2.gz CSJNNRLIPWCNAO-JTQLQIEISA-N 1 1 248.326 2.303 20 30 BEEDMO C=CCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000853790785 588763633 /nfs/dbraw/zinc/76/36/33/588763633.db2.gz KVHJVVLOSLAZSW-UHFFFAOYSA-N 1 1 218.304 2.065 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N(C)C)cc[nH+]1 ZINC000853953104 588770251 /nfs/dbraw/zinc/77/02/51/588770251.db2.gz OGYROYWVVVCFCK-TXEJJXNPSA-N 1 1 244.342 2.230 20 30 BEEDMO C#CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043509 588772358 /nfs/dbraw/zinc/77/23/58/588772358.db2.gz LGGJNOTVXQTREV-GFCCVEGCSA-N 1 1 200.285 2.098 20 30 BEEDMO C#CC[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854043509 588772359 /nfs/dbraw/zinc/77/23/59/588772359.db2.gz LGGJNOTVXQTREV-GFCCVEGCSA-N 1 1 200.285 2.098 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2CC)C1 ZINC000843423958 582556754 /nfs/dbraw/zinc/55/67/54/582556754.db2.gz MTBAHINRIWYQPR-ZDUSSCGKSA-N 1 1 245.370 2.218 20 30 BEEDMO C=CCCCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000890809174 582571458 /nfs/dbraw/zinc/57/14/58/582571458.db2.gz NGVYYNZEPPBRQK-ZDUSSCGKSA-N 1 1 238.375 2.143 20 30 BEEDMO C=C[C@H](C)ON=C1CC[N@H+](CC)C[C@H]1C ZINC000844621451 582603284 /nfs/dbraw/zinc/60/32/84/582603284.db2.gz HIQMRRRXXSCVLD-MNOVXSKESA-N 1 1 210.321 2.295 20 30 BEEDMO C=CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000891266588 582645580 /nfs/dbraw/zinc/64/55/80/582645580.db2.gz DTZQGJMHCKXDOH-RYUDHWBXSA-N 1 1 236.359 2.084 20 30 BEEDMO Cc1cc(C#N)ccc1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000846755872 582664944 /nfs/dbraw/zinc/66/49/44/582664944.db2.gz USSLYVMSXFDKCV-STQMWFEESA-N 1 1 243.354 2.396 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1C[C@@]1(C)Br ZINC000891805214 582724500 /nfs/dbraw/zinc/72/45/00/582724500.db2.gz FOXDZTAECIQQJI-NXEZZACHSA-N 1 1 230.149 2.115 20 30 BEEDMO Cc1cc(F)ccc1C=NNc1cc[nH+]cc1 ZINC000779808960 582738389 /nfs/dbraw/zinc/73/83/89/582738389.db2.gz CIPLPKMBPAHPIN-UHFFFAOYSA-N 1 1 229.258 2.397 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1ccc2ncccc2c1 ZINC000779811017 582739330 /nfs/dbraw/zinc/73/93/30/582739330.db2.gz BGMQTCNUAJUBPG-UHFFFAOYSA-N 1 1 248.289 2.498 20 30 BEEDMO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)C(C)C ZINC000743841655 582858307 /nfs/dbraw/zinc/85/83/07/582858307.db2.gz QFDAEJDFOBMEGH-ZDUSSCGKSA-N 1 1 238.375 2.284 20 30 BEEDMO CC[N@@H+](Cc1ccc(C(=O)NO)cc1)C(C)C ZINC000782172307 582869166 /nfs/dbraw/zinc/86/91/66/582869166.db2.gz PNNNCCZBOBPPFQ-UHFFFAOYSA-N 1 1 236.315 2.036 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000852411763 583013309 /nfs/dbraw/zinc/01/33/09/583013309.db2.gz VJFHUSBJRYDLSQ-OLZOCXBDSA-N 1 1 237.343 2.228 20 30 BEEDMO C#CC[N@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000893612569 583173399 /nfs/dbraw/zinc/17/33/99/583173399.db2.gz RXGRFCZXHCJOBF-UHFFFAOYSA-N 1 1 219.259 2.129 20 30 BEEDMO C#CC[N@H+](Cc1csc(C#N)c1)C1CC1 ZINC000893613388 583174261 /nfs/dbraw/zinc/17/42/61/583174261.db2.gz ZXYOBOPKOJWZLR-UHFFFAOYSA-N 1 1 216.309 2.217 20 30 BEEDMO C#CC[N@@H+](Cc1csc(C#N)c1)C1CC1 ZINC000893613388 583174263 /nfs/dbraw/zinc/17/42/63/583174263.db2.gz ZXYOBOPKOJWZLR-UHFFFAOYSA-N 1 1 216.309 2.217 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cn(C)nc1Cl)C(C)(C)C ZINC000857046666 588883877 /nfs/dbraw/zinc/88/38/77/588883877.db2.gz OBZOQSPPJGNBKY-JTQLQIEISA-N 1 1 239.750 2.211 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000840978424 583214182 /nfs/dbraw/zinc/21/41/82/583214182.db2.gz NUVBIGFDVQMOIN-CJNGLKHVSA-N 1 1 243.350 2.261 20 30 BEEDMO CNc1cc(NCC(C)(C)CCC#N)nc[nH+]1 ZINC000893866487 583235230 /nfs/dbraw/zinc/23/52/30/583235230.db2.gz IBUNTIBZFUJSKX-UHFFFAOYSA-N 1 1 233.319 2.260 20 30 BEEDMO CNc1cc(NCC(C)(C)CCC#N)[nH+]cn1 ZINC000893866487 583235232 /nfs/dbraw/zinc/23/52/32/583235232.db2.gz IBUNTIBZFUJSKX-UHFFFAOYSA-N 1 1 233.319 2.260 20 30 BEEDMO Cc1cc(C#N)nc(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000893905355 583242818 /nfs/dbraw/zinc/24/28/18/583242818.db2.gz MVWZFTVGSUGQFD-LBPRGKRZSA-N 1 1 246.358 2.402 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cc(F)cc(F)c1O ZINC000893976508 583264596 /nfs/dbraw/zinc/26/45/96/583264596.db2.gz UYRDQIGMAVREKU-UHFFFAOYSA-N 1 1 225.238 2.126 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(F)cc(F)c1O ZINC000893976508 583264600 /nfs/dbraw/zinc/26/46/00/583264600.db2.gz UYRDQIGMAVREKU-UHFFFAOYSA-N 1 1 225.238 2.126 20 30 BEEDMO C=CC(C)(C)CNc1cc(NC)[nH+]cn1 ZINC000894055790 583290799 /nfs/dbraw/zinc/29/07/99/583290799.db2.gz DHMUGQOFOUOQHT-UHFFFAOYSA-N 1 1 206.293 2.142 20 30 BEEDMO C=CC(C)(C)CNc1cc(NC)nc[nH+]1 ZINC000894055790 583290801 /nfs/dbraw/zinc/29/08/01/583290801.db2.gz DHMUGQOFOUOQHT-UHFFFAOYSA-N 1 1 206.293 2.142 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894060130 583291380 /nfs/dbraw/zinc/29/13/80/583291380.db2.gz OQWVANQJUDSYTK-LLVKDONJSA-N 1 1 217.316 2.062 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(C2CCC2)c1 ZINC000894060130 583291381 /nfs/dbraw/zinc/29/13/81/583291381.db2.gz OQWVANQJUDSYTK-LLVKDONJSA-N 1 1 217.316 2.062 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000894059931 583291904 /nfs/dbraw/zinc/29/19/04/583291904.db2.gz NDUIVIUKSXKSNE-LBPRGKRZSA-N 1 1 231.343 2.137 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC000894059931 583291906 /nfs/dbraw/zinc/29/19/06/583291906.db2.gz NDUIVIUKSXKSNE-LBPRGKRZSA-N 1 1 231.343 2.137 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000894060772 583292993 /nfs/dbraw/zinc/29/29/93/583292993.db2.gz YAGFKXVDHBZDHS-LPEHRKFASA-N 1 1 230.149 2.113 20 30 BEEDMO C[C@H]1Cc2cc(C[NH2+]CC3(C#N)CC3)ccc2O1 ZINC000894204324 583340019 /nfs/dbraw/zinc/34/00/19/583340019.db2.gz MGBQKDHURGMRTH-NSHDSACASA-N 1 1 242.322 2.403 20 30 BEEDMO C#C[C@@H](C)[NH2+]Cc1cc(C)cnc1Cl ZINC000894383611 583442765 /nfs/dbraw/zinc/44/27/65/583442765.db2.gz MNRXHFGNKAPVIO-SECBINFHSA-N 1 1 208.692 2.155 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000894387561 583444291 /nfs/dbraw/zinc/44/42/91/583444291.db2.gz PTQRNBVURIMTHV-SECBINFHSA-N 1 1 237.734 2.442 20 30 BEEDMO CC(C)(C#N)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000894454697 583462713 /nfs/dbraw/zinc/46/27/13/583462713.db2.gz UMMQYGVIFBQWKG-UHFFFAOYSA-N 1 1 246.266 2.025 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000894468689 583467903 /nfs/dbraw/zinc/46/79/03/583467903.db2.gz ACZSJJQZESBHMS-SNVBAGLBSA-N 1 1 246.266 2.168 20 30 BEEDMO Cc1nnc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)[nH]1 ZINC000894467018 583468531 /nfs/dbraw/zinc/46/85/31/583468531.db2.gz GCQNYPMEROMIIU-BDAKNGLRSA-N 1 1 235.335 2.092 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc2c1NCCC2 ZINC000894573416 583487119 /nfs/dbraw/zinc/48/71/19/583487119.db2.gz ASNYQOACNNAJLX-GFCCVEGCSA-N 1 1 228.339 2.498 20 30 BEEDMO C=CCNC(=O)C[N@H+](CC)Cc1ccc(C)cc1 ZINC000519917727 583546777 /nfs/dbraw/zinc/54/67/77/583546777.db2.gz GIIXDHRSAXKVND-UHFFFAOYSA-N 1 1 246.354 2.119 20 30 BEEDMO N#Cc1cc(C[NH2+]CC2(C#N)CCC2)cs1 ZINC000894967524 583560680 /nfs/dbraw/zinc/56/06/80/583560680.db2.gz UMOQHMZKOQSVCJ-UHFFFAOYSA-N 1 1 231.324 2.403 20 30 BEEDMO C[C@@H]1CC(=NNCC2CCCC2)CC[N@H+]1C ZINC000808006171 583590275 /nfs/dbraw/zinc/59/02/75/583590275.db2.gz RUBASOLMDGHILI-LLVKDONJSA-N 1 1 223.364 2.236 20 30 BEEDMO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857861267 588914790 /nfs/dbraw/zinc/91/47/90/588914790.db2.gz ZNVKKDUPABEUBF-MWLCHTKSSA-N 1 1 205.305 2.341 20 30 BEEDMO C=C(C)CC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857867763 588915662 /nfs/dbraw/zinc/91/56/62/588915662.db2.gz JQLRXEDGIBGERN-NSHDSACASA-N 1 1 205.305 2.343 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(F)cc2C)C1 ZINC000895203808 583624174 /nfs/dbraw/zinc/62/41/74/583624174.db2.gz YQLJIGMXLDTDHY-LBPRGKRZSA-N 1 1 232.302 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000895201418 583624731 /nfs/dbraw/zinc/62/47/31/583624731.db2.gz DCAADHKQIWQDHU-ZDUSSCGKSA-N 1 1 231.343 2.057 20 30 BEEDMO C[C@]12COC[C@H]1C[N@@H+](Cc1csc(C#N)c1)C2 ZINC000895384760 583663260 /nfs/dbraw/zinc/66/32/60/583663260.db2.gz CABOZAVVAJSQMG-YPMHNXCESA-N 1 1 248.351 2.088 20 30 BEEDMO N#Cc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cs1 ZINC000895441888 583675360 /nfs/dbraw/zinc/67/53/60/583675360.db2.gz BECOPSBUXSZFLJ-RYUDHWBXSA-N 1 1 248.351 2.088 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1 ZINC000895573162 583692814 /nfs/dbraw/zinc/69/28/14/583692814.db2.gz NRPKEHDSUHCDQY-CQSZACIVSA-N 1 1 217.287 2.459 20 30 BEEDMO C=CCC[C@H](CCC)[NH2+][C@H]1CCOC1=O ZINC000895803111 583731484 /nfs/dbraw/zinc/73/14/84/583731484.db2.gz BXCSHPXCIYEMIT-QWRGUYRKSA-N 1 1 211.305 2.026 20 30 BEEDMO C#CCOc1ccc(C[N@@H+](C)CCCF)cc1 ZINC000895898307 583740854 /nfs/dbraw/zinc/74/08/54/583740854.db2.gz MKPVJYAKBKDZOB-UHFFFAOYSA-N 1 1 235.302 2.490 20 30 BEEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000895926719 583748978 /nfs/dbraw/zinc/74/89/78/583748978.db2.gz JQWKASHJKFWNGO-YNEHKIRRSA-N 1 1 224.348 2.426 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858034381 588930801 /nfs/dbraw/zinc/93/08/01/588930801.db2.gz ZZAPNCLGRJXZQD-CYBMUJFWSA-N 1 1 232.327 2.419 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)CCO1 ZINC000896585681 583815385 /nfs/dbraw/zinc/81/53/85/583815385.db2.gz UMUQYNKUYTUDLK-JTQLQIEISA-N 1 1 236.340 2.231 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](C)CC1 ZINC000896583327 583815747 /nfs/dbraw/zinc/81/57/47/583815747.db2.gz FFCJLWZOHYXGOC-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCn2cccc2C1 ZINC000896760707 583831077 /nfs/dbraw/zinc/83/10/77/583831077.db2.gz DTKOBIWSAZYWQY-LBPRGKRZSA-N 1 1 217.316 2.244 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896826966 583836927 /nfs/dbraw/zinc/83/69/27/583836927.db2.gz HEBBFMJWEVRTGF-LBPRGKRZSA-N 1 1 236.359 2.060 20 30 BEEDMO C=C1CC(c2noc(CCc3[nH]cc[nH+]3)n2)C1 ZINC000896875501 583843471 /nfs/dbraw/zinc/84/34/71/583843471.db2.gz GZWFZLQWXLTCQK-UHFFFAOYSA-N 1 1 230.271 2.012 20 30 BEEDMO C=C1CC(C)(c2noc(Cn3c[nH+]cc3C)n2)C1 ZINC000896923968 583858823 /nfs/dbraw/zinc/85/88/23/583858823.db2.gz QVXNVPBMLXJLHZ-UHFFFAOYSA-N 1 1 244.298 2.231 20 30 BEEDMO CC#CC[N@H+](C)C[C@H]1CCO[C@@H](CC)C1 ZINC000897167979 583887071 /nfs/dbraw/zinc/88/70/71/583887071.db2.gz YWBUEEWMOSLQGM-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO CC#CC[N@@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000897168869 583888445 /nfs/dbraw/zinc/88/84/45/583888445.db2.gz HUMWAAOWNGLGFN-NXEZZACHSA-N 1 1 230.149 2.115 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(C)cc1O ZINC000897169070 583888451 /nfs/dbraw/zinc/88/84/51/583888451.db2.gz LILWNWDHWJEVPM-UHFFFAOYSA-N 1 1 203.285 2.156 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000862448136 583962956 /nfs/dbraw/zinc/96/29/56/583962956.db2.gz WWIBKMQFWHTMKA-ZDUSSCGKSA-N 1 1 240.350 2.416 20 30 BEEDMO C[N@H+]1CCC(=NO[C@@H]2CCCCO2)CC1(C)C ZINC000863103912 583975552 /nfs/dbraw/zinc/97/55/52/583975552.db2.gz NYTWNITXOYCUMH-GFCCVEGCSA-N 1 1 240.347 2.390 20 30 BEEDMO C=CC(C)(C)Nc1[nH+]cnc2[nH]ccc21 ZINC000897533705 584008822 /nfs/dbraw/zinc/00/88/22/584008822.db2.gz VEOXCVOSXCMBDB-UHFFFAOYSA-N 1 1 202.261 2.334 20 30 BEEDMO C=C1CCC(C(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000897620845 584032363 /nfs/dbraw/zinc/03/23/63/584032363.db2.gz LOOXOCFAENXQGZ-UHFFFAOYSA-N 1 1 248.370 2.111 20 30 BEEDMO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000898036324 584079369 /nfs/dbraw/zinc/07/93/69/584079369.db2.gz CAODAKGZCZXEPL-OLZOCXBDSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCC[N@H+](CC)Cc1cncnc1OC ZINC000898245235 584100827 /nfs/dbraw/zinc/10/08/27/584100827.db2.gz YRXUYTVGQOODNA-UHFFFAOYSA-N 1 1 235.331 2.273 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+](C)CC(C)(C)CN(C)C ZINC000898307757 584109777 /nfs/dbraw/zinc/10/97/77/584109777.db2.gz GNMWVILOMCGQNS-ZDUSSCGKSA-N 1 1 239.407 2.446 20 30 BEEDMO C[C@@H](CCC#N)C[N@@H+](C)CC(C)(C)CN(C)C ZINC000898307757 584109778 /nfs/dbraw/zinc/10/97/78/584109778.db2.gz GNMWVILOMCGQNS-ZDUSSCGKSA-N 1 1 239.407 2.446 20 30 BEEDMO C=C1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000898698571 584155404 /nfs/dbraw/zinc/15/54/04/584155404.db2.gz ODPLVQZYYPSFJI-ZDUSSCGKSA-N 1 1 248.370 2.039 20 30 BEEDMO C=CC(C)(C)CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000900913240 584365972 /nfs/dbraw/zinc/36/59/72/584365972.db2.gz SOIYVHUOWSICTH-GFCCVEGCSA-N 1 1 238.375 2.047 20 30 BEEDMO CCNN=C1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000901280937 584414679 /nfs/dbraw/zinc/41/46/79/584414679.db2.gz FTGPNYBSQIHQIB-ZDUSSCGKSA-N 1 1 245.370 2.494 20 30 BEEDMO CCNN=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000901280937 584414680 /nfs/dbraw/zinc/41/46/80/584414680.db2.gz FTGPNYBSQIHQIB-ZDUSSCGKSA-N 1 1 245.370 2.494 20 30 BEEDMO CCN[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000901281382 584414835 /nfs/dbraw/zinc/41/48/35/584414835.db2.gz OQYVJZDQDFJZHH-UHFFFAOYSA-N 1 1 211.696 2.256 20 30 BEEDMO C[C@@H]1C[N@H+](C)CC1=NNC1CCC(F)(F)CC1 ZINC000901342167 584428076 /nfs/dbraw/zinc/42/80/76/584428076.db2.gz YOBPOXMGJKCABF-SECBINFHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1=NNC1CCC(F)(F)CC1 ZINC000901342167 584428078 /nfs/dbraw/zinc/42/80/78/584428078.db2.gz YOBPOXMGJKCABF-SECBINFHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cc(F)ccc1F ZINC000901320102 584429994 /nfs/dbraw/zinc/42/99/94/584429994.db2.gz LAMAWJHNNRSOCD-QMMMGPOBSA-N 1 1 239.269 2.314 20 30 BEEDMO C=CC[C@H]([NH2+]CC1CCC=CCC1)C(=O)OC ZINC000901629902 584470434 /nfs/dbraw/zinc/47/04/34/584470434.db2.gz HQWSOUYUWCDTDD-ZDUSSCGKSA-N 1 1 237.343 2.440 20 30 BEEDMO CCCCC(N)=[NH+]OCc1cncc(C#N)c1 ZINC000902222332 584540326 /nfs/dbraw/zinc/54/03/26/584540326.db2.gz ZMNWAMCSKXSTSU-UHFFFAOYSA-N 1 1 232.287 2.142 20 30 BEEDMO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472962 584600957 /nfs/dbraw/zinc/60/09/57/584600957.db2.gz MJFZQHROLWTPGI-NJMOYASZSA-N 1 1 208.349 2.070 20 30 BEEDMO C=CC[C@@H](C)[C@@H](C)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472962 584600959 /nfs/dbraw/zinc/60/09/59/584600959.db2.gz MJFZQHROLWTPGI-NJMOYASZSA-N 1 1 208.349 2.070 20 30 BEEDMO C=CCCC[N@H+](CC)CN1CC(C)(C)OC1=O ZINC000902669241 584654187 /nfs/dbraw/zinc/65/41/87/584654187.db2.gz JDQPJYAEOAKHIR-UHFFFAOYSA-N 1 1 240.347 2.463 20 30 BEEDMO CCCn1cc([C@H](C)[NH2+]CC2(CC#N)CC2)nn1 ZINC000902978296 584708054 /nfs/dbraw/zinc/70/80/54/584708054.db2.gz BWKLWIJEPJDFQY-NSHDSACASA-N 1 1 247.346 2.033 20 30 BEEDMO C[C@H]([NH2+]CC(C)(C)F)c1cc(C#N)ccn1 ZINC000903072455 584726002 /nfs/dbraw/zinc/72/60/02/584726002.db2.gz LTKKMHFPOQIKHI-VIFPVBQESA-N 1 1 221.279 2.352 20 30 BEEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1O ZINC000903105672 584727954 /nfs/dbraw/zinc/72/79/54/584727954.db2.gz HOYRXRUKQFGEAQ-JTQLQIEISA-N 1 1 246.310 2.355 20 30 BEEDMO Cc1cc(C#N)cc(C)c1CN1CCC([NH3+])CC1 ZINC000903422074 584763794 /nfs/dbraw/zinc/76/37/94/584763794.db2.gz VKINMFLQOGALGP-UHFFFAOYSA-N 1 1 243.354 2.098 20 30 BEEDMO CC(C)[C@H]1CNCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903464124 584767523 /nfs/dbraw/zinc/76/75/23/584767523.db2.gz AQRXUFCQWDBLPM-YMAMQOFZSA-N 1 1 249.402 2.246 20 30 BEEDMO C[C@@H]([NH2+]C/C=C\Cl)c1cc(C#N)ccn1 ZINC000903443128 584768146 /nfs/dbraw/zinc/76/81/46/584768146.db2.gz BXGSADSOEHGFER-FIFYQCSRSA-N 1 1 221.691 2.356 20 30 BEEDMO N#CC1CCC(CN[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000903470417 584774797 /nfs/dbraw/zinc/77/47/97/584774797.db2.gz BFTMBVZGBJOWKD-JXQTWKCFSA-N 1 1 247.386 2.191 20 30 BEEDMO CNCC[N@H+](CC1CCC(C#N)CC1)C(C)C ZINC000903575942 584783839 /nfs/dbraw/zinc/78/38/39/584783839.db2.gz WJHAEIOLUXAVGE-UHFFFAOYSA-N 1 1 237.391 2.246 20 30 BEEDMO CNCC[N@@H+](CC1CCC(C#N)CC1)C(C)C ZINC000903575942 584783841 /nfs/dbraw/zinc/78/38/41/584783841.db2.gz WJHAEIOLUXAVGE-UHFFFAOYSA-N 1 1 237.391 2.246 20 30 BEEDMO CCCCCCN(O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000904207105 584846536 /nfs/dbraw/zinc/84/65/36/584846536.db2.gz QPGDZUCFSAODFV-LBPRGKRZSA-N 1 1 242.363 2.126 20 30 BEEDMO Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(O)c1 ZINC000876616779 584886126 /nfs/dbraw/zinc/88/61/26/584886126.db2.gz ADUXNIXIRSECPF-LLVKDONJSA-N 1 1 218.300 2.292 20 30 BEEDMO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)c(O)c1 ZINC000876616779 584886127 /nfs/dbraw/zinc/88/61/27/584886127.db2.gz ADUXNIXIRSECPF-LLVKDONJSA-N 1 1 218.300 2.292 20 30 BEEDMO C=CCOC(=O)C[N@@H+](C)CCCCCC ZINC000741323924 584917549 /nfs/dbraw/zinc/91/75/49/584917549.db2.gz HXTADAHJXXUWDI-UHFFFAOYSA-N 1 1 213.321 2.228 20 30 BEEDMO C=CCOC(=O)C[N@H+](C)CCCCCC ZINC000741323924 584917550 /nfs/dbraw/zinc/91/75/50/584917550.db2.gz HXTADAHJXXUWDI-UHFFFAOYSA-N 1 1 213.321 2.228 20 30 BEEDMO C#CCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000766904510 584944551 /nfs/dbraw/zinc/94/45/51/584944551.db2.gz GHSBJBJYXBKONP-OAHLLOKOSA-N 1 1 245.322 2.179 20 30 BEEDMO C#CCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000766904510 584944552 /nfs/dbraw/zinc/94/45/52/584944552.db2.gz GHSBJBJYXBKONP-OAHLLOKOSA-N 1 1 245.322 2.179 20 30 BEEDMO CCC(CC)NN=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000755891988 584997128 /nfs/dbraw/zinc/99/71/28/584997128.db2.gz OYFRNGOFCKWGBF-SNVBAGLBSA-N 1 1 223.364 2.235 20 30 BEEDMO CCC(CC)NN=C1C[N@H+](C2CC2)C[C@H]1C ZINC000755891988 584997129 /nfs/dbraw/zinc/99/71/29/584997129.db2.gz OYFRNGOFCKWGBF-SNVBAGLBSA-N 1 1 223.364 2.235 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)C1CC1 ZINC000838799920 585069242 /nfs/dbraw/zinc/06/92/42/585069242.db2.gz IJLRGZMASOSIHV-OAHLLOKOSA-N 1 1 247.313 2.032 20 30 BEEDMO C=C(C[NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000838918026 585078145 /nfs/dbraw/zinc/07/81/45/585078145.db2.gz QRRYBTGFYUALAW-UHFFFAOYSA-N 1 1 242.326 2.101 20 30 BEEDMO C=CCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000739915503 585085623 /nfs/dbraw/zinc/08/56/23/585085623.db2.gz PVNIIEJYYCUJAQ-CYBMUJFWSA-N 1 1 236.359 2.039 20 30 BEEDMO C#CC[C@H]([NH2+][C@H](CC)C1CCCC1)C(=O)OC ZINC000839166850 585095349 /nfs/dbraw/zinc/09/53/49/585095349.db2.gz BGOIBETWHIPFHA-OLZOCXBDSA-N 1 1 237.343 2.110 20 30 BEEDMO C#CC[C@H]([NH2+][C@H]1CCCC[C@H]1C1CC1)C(=O)OC ZINC000839170186 585095986 /nfs/dbraw/zinc/09/59/86/585095986.db2.gz YVRHJACSWOUXPA-IHRRRGAJSA-N 1 1 249.354 2.110 20 30 BEEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190822 585097413 /nfs/dbraw/zinc/09/74/13/585097413.db2.gz DGKHLRSANROEDV-KBPBESRZSA-N 1 1 229.348 2.358 20 30 BEEDMO C#C[C@H]1COCC[N@@H+]1CC/C=C\c1ccccc1 ZINC000839197560 585098946 /nfs/dbraw/zinc/09/89/46/585098946.db2.gz GACGFMYMHQZWGS-DIEDAUMRSA-N 1 1 241.334 2.424 20 30 BEEDMO C#C[C@H]1COCC[N@H+]1CC/C=C\c1ccccc1 ZINC000839197560 585098947 /nfs/dbraw/zinc/09/89/47/585098947.db2.gz GACGFMYMHQZWGS-DIEDAUMRSA-N 1 1 241.334 2.424 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CCc2ccccc21 ZINC000839199480 585099155 /nfs/dbraw/zinc/09/91/55/585099155.db2.gz NEAMLPGNGDPPNC-LSDHHAIUSA-N 1 1 241.334 2.050 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCc2ccccc21 ZINC000839199480 585099156 /nfs/dbraw/zinc/09/91/56/585099156.db2.gz NEAMLPGNGDPPNC-LSDHHAIUSA-N 1 1 241.334 2.050 20 30 BEEDMO C#CC[NH+](CC#C)[C@@H](C)c1ccc(F)cc1 ZINC000839501006 585105641 /nfs/dbraw/zinc/10/56/41/585105641.db2.gz SSYUBCNUKSEDER-LBPRGKRZSA-N 1 1 215.271 2.455 20 30 BEEDMO C=C(Cl)C[N@H+](C)C1CCC(CO)CC1 ZINC000839524086 585105724 /nfs/dbraw/zinc/10/57/24/585105724.db2.gz DEJTXZMGDXRVDA-UHFFFAOYSA-N 1 1 217.740 2.222 20 30 BEEDMO C#CC[NH+](CC#C)[C@@H](C)c1cccc(F)c1 ZINC000839501087 585105744 /nfs/dbraw/zinc/10/57/44/585105744.db2.gz UINIQQCFJATMLF-LBPRGKRZSA-N 1 1 215.271 2.455 20 30 BEEDMO C=C(Cl)COC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000741013499 585109038 /nfs/dbraw/zinc/10/90/38/585109038.db2.gz BYVUBPJLJKNNIU-LLVKDONJSA-N 1 1 245.750 2.403 20 30 BEEDMO CC[N@H+]1CCC(N=Nc2ccccn2)[C@H](C)C1 ZINC000741454655 585114023 /nfs/dbraw/zinc/11/40/23/585114023.db2.gz DRUOUKIBDLWGSH-LLVKDONJSA-N 1 1 232.331 2.211 20 30 BEEDMO C[C@H]1CC(N=Nc2ccc(F)cn2)CC[N@H+]1C ZINC000741464035 585114314 /nfs/dbraw/zinc/11/43/14/585114314.db2.gz KTQXLWCQWBNUNU-VIFPVBQESA-N 1 1 236.294 2.103 20 30 BEEDMO C[C@@H]1C[C@@H](/N=C/c2ccccc2O)CC[N@H+]1C ZINC000741464285 585114349 /nfs/dbraw/zinc/11/43/49/585114349.db2.gz NMTGZTFFERXBEF-KURUJGOKSA-N 1 1 232.327 2.294 20 30 BEEDMO C[C@@H]1CCC[N@@H+]1CCNCc1cccc(C#N)c1 ZINC000742387022 585125569 /nfs/dbraw/zinc/12/55/69/585125569.db2.gz OTUJEVVKGSLPFH-CYBMUJFWSA-N 1 1 243.354 2.132 20 30 BEEDMO C[C@@H]1CCC[N@H+]1CCNCc1cccc(C#N)c1 ZINC000742387022 585125570 /nfs/dbraw/zinc/12/55/70/585125570.db2.gz OTUJEVVKGSLPFH-CYBMUJFWSA-N 1 1 243.354 2.132 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cccc(OC)c1 ZINC000743853142 585141443 /nfs/dbraw/zinc/14/14/43/585141443.db2.gz UIWKXCQJHOUCCZ-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OC)c1 ZINC000743853142 585141444 /nfs/dbraw/zinc/14/14/44/585141444.db2.gz UIWKXCQJHOUCCZ-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO C#CC[N@H+](CC#CC)CCOc1ccc(F)cc1 ZINC000743853265 585141449 /nfs/dbraw/zinc/14/14/49/585141449.db2.gz ZWOBNVYRMGQMSY-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCOc1ccc(F)cc1 ZINC000743853265 585141450 /nfs/dbraw/zinc/14/14/50/585141450.db2.gz ZWOBNVYRMGQMSY-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO 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/nfs/dbraw/zinc/63/21/46/585632146.db2.gz TZPGQIYFDTZXIX-DGCLKSJQSA-N 1 1 237.391 2.482 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773888892 585645839 /nfs/dbraw/zinc/64/58/39/585645839.db2.gz SCDXBPZKKPPLFC-UHFFFAOYSA-N 1 1 216.328 2.208 20 30 BEEDMO CCC(CC)CNN=C1C[C@@H](C)[N@H+](C)C1 ZINC000774462762 585659646 /nfs/dbraw/zinc/65/96/46/585659646.db2.gz OHPWXPWNWBGWIW-SNVBAGLBSA-N 1 1 211.353 2.092 20 30 BEEDMO CCC(CC)CNN=C1C[C@@H](C)[N@@H+](C)C1 ZINC000774462762 585659647 /nfs/dbraw/zinc/65/96/47/585659647.db2.gz OHPWXPWNWBGWIW-SNVBAGLBSA-N 1 1 211.353 2.092 20 30 BEEDMO CCC(CC)CNN=C1CC[N@@H+](C)[C@H](C)C1 ZINC000774463989 585659697 /nfs/dbraw/zinc/65/96/97/585659697.db2.gz SVMMLIYZNUNPPW-LLVKDONJSA-N 1 1 225.380 2.482 20 30 BEEDMO COCC#CC[NH2+][C@H](C)c1c(F)cccc1F ZINC000774862762 585667988 /nfs/dbraw/zinc/66/79/88/585667988.db2.gz FEYFOYLWCBDNBS-SNVBAGLBSA-N 1 1 239.265 2.265 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1O ZINC000775182023 585672875 /nfs/dbraw/zinc/67/28/75/585672875.db2.gz AKKXCDCKVRQBDG-LLVKDONJSA-N 1 1 233.311 2.244 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1nn(C)c2ccccc12 ZINC000775184134 585673244 /nfs/dbraw/zinc/67/32/44/585673244.db2.gz MEOCBBWFVVKADU-NSHDSACASA-N 1 1 227.311 2.027 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1nn(C)c2ccccc12 ZINC000775184134 585673245 /nfs/dbraw/zinc/67/32/45/585673245.db2.gz MEOCBBWFVVKADU-NSHDSACASA-N 1 1 227.311 2.027 20 30 BEEDMO C#C[C@H]([NH2+]Cc1ccccc1F)[C@@H]1CCCO1 ZINC000775341676 585676101 /nfs/dbraw/zinc/67/61/01/585676101.db2.gz MYPMRMSEVWEQBR-KBPBESRZSA-N 1 1 233.286 2.096 20 30 BEEDMO COCC#CC[NH2+]C1(c2ccccc2F)CC1 ZINC000775449238 585678166 /nfs/dbraw/zinc/67/81/66/585678166.db2.gz YQAOIIIFYLOKAL-UHFFFAOYSA-N 1 1 233.286 2.054 20 30 BEEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cnnc1 ZINC000776759432 585704955 /nfs/dbraw/zinc/70/49/55/585704955.db2.gz OQJBNRRZIJDUMC-UHFFFAOYSA-N 1 1 234.347 2.304 20 30 BEEDMO FC(F)(F)CCON=C1CC[N@H+]2CCC[C@@H]12 ZINC000777455928 585712766 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/nfs/dbraw/zinc/76/57/17/585765717.db2.gz NZWZRGQARSXJKW-UHFFFAOYSA-N 1 1 240.310 2.016 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1ccsc1 ZINC000779809332 585765801 /nfs/dbraw/zinc/76/58/01/585765801.db2.gz IMKGJYINHWJWSH-UHFFFAOYSA-N 1 1 203.270 2.011 20 30 BEEDMO Cc1ccc(F)cc1C=NNc1cc[nH+]cc1 ZINC000779808978 585765893 /nfs/dbraw/zinc/76/58/93/585765893.db2.gz JSKGXBSKILJAIR-UHFFFAOYSA-N 1 1 229.258 2.397 20 30 BEEDMO Cc1cc(C)cc(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781585424 585799757 /nfs/dbraw/zinc/79/97/57/585799757.db2.gz FLXYSKSRSKOGHU-UHFFFAOYSA-N 1 1 241.298 2.122 20 30 BEEDMO Cc1ccc(C)c(N[NH+]=Cc2cnc(N)nc2)c1 ZINC000781584975 585799963 /nfs/dbraw/zinc/79/99/63/585799963.db2.gz ALTVHHJQESQUHN-UHFFFAOYSA-N 1 1 241.298 2.122 20 30 BEEDMO C[C@H]1CC(=NNCCC(C)(C)C)CC[N@H+]1C ZINC000782903042 585825726 /nfs/dbraw/zinc/82/57/26/585825726.db2.gz NHADPQCLEBOMBK-NSHDSACASA-N 1 1 225.380 2.482 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1=CCCCC1 ZINC000783091355 585827630 /nfs/dbraw/zinc/82/76/30/585827630.db2.gz WIIDFWSGXRVVHO-CQSZACIVSA-N 1 1 247.338 2.128 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cncs1 ZINC000783294374 585833365 /nfs/dbraw/zinc/83/33/65/585833365.db2.gz OSTLLCNQDRNJAT-SECBINFHSA-N 1 1 244.323 2.261 20 30 BEEDMO Cc1[nH+]ccn1CCCOC(=O)CC(C)(C)C#N ZINC000785087188 585870705 /nfs/dbraw/zinc/87/07/05/585870705.db2.gz SQMQBAXEGFNCNQ-UHFFFAOYSA-N 1 1 249.314 2.065 20 30 BEEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000785478140 585874507 /nfs/dbraw/zinc/87/45/07/585874507.db2.gz MBGDMAHQNXNZSG-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000785478140 585874508 /nfs/dbraw/zinc/87/45/08/585874508.db2.gz MBGDMAHQNXNZSG-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)[C@H](C)C1 ZINC000785478140 585874509 /nfs/dbraw/zinc/87/45/09/585874509.db2.gz MBGDMAHQNXNZSG-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CC2)C(=O)O1 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586000206 /nfs/dbraw/zinc/00/02/06/586000206.db2.gz YIGMSUKKPOGPRS-SECBINFHSA-N 1 1 238.158 2.315 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792923977 586007050 /nfs/dbraw/zinc/00/70/50/586007050.db2.gz VZQPZMMBFVGJFT-OLZOCXBDSA-N 1 1 207.317 2.043 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000792927637 586007100 /nfs/dbraw/zinc/00/71/00/586007100.db2.gz QEJOYLCOERNQSN-LLVKDONJSA-N 1 1 217.740 2.366 20 30 BEEDMO N#Cc1csc(C[NH2+]Cc2cccnc2F)c1 ZINC000793281938 586015998 /nfs/dbraw/zinc/01/59/98/586015998.db2.gz SIZFQYJGGDEUIP-UHFFFAOYSA-N 1 1 247.298 2.444 20 30 BEEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000793544431 586022460 /nfs/dbraw/zinc/02/24/60/586022460.db2.gz FHYDNDFRCCTRPQ-GFCCVEGCSA-N 1 1 236.363 2.430 20 30 BEEDMO C#CC[N@@H+](CC)CCN1CCc2ccccc21 ZINC000794394387 586039024 /nfs/dbraw/zinc/03/90/24/586039024.db2.gz XADFQZIOYFDPNE-UHFFFAOYSA-N 1 1 228.339 2.004 20 30 BEEDMO CCn1cc(CC[N@@H+](CCC#N)CC(C)C)cn1 ZINC000794554748 586043893 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C#CC[C@@H]1CCC[N@H+](Cc2cncc(OC)c2)C1 ZINC000829815638 587519979 /nfs/dbraw/zinc/51/99/79/587519979.db2.gz QAUWXBCUZHRTHI-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO C=C(Cl)CN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000830078659 587535056 /nfs/dbraw/zinc/53/50/56/587535056.db2.gz IWKRGWMCNUNEDQ-SNVBAGLBSA-N 1 1 228.767 2.155 20 30 BEEDMO C#CC1CC[NH+](CC(=C)Br)CC1 ZINC000830321568 587545934 /nfs/dbraw/zinc/54/59/34/587545934.db2.gz RAUJDYLLJUEDPD-UHFFFAOYSA-N 1 1 228.133 2.240 20 30 BEEDMO C=C(Br)C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831528396 587616660 /nfs/dbraw/zinc/61/66/60/587616660.db2.gz PDSCWHFHCAPVJS-PSASIEDQSA-N 1 1 248.164 2.252 20 30 BEEDMO C=C(Br)C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831528396 587616662 /nfs/dbraw/zinc/61/66/62/587616662.db2.gz PDSCWHFHCAPVJS-PSASIEDQSA-N 1 1 248.164 2.252 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000831547183 587618469 /nfs/dbraw/zinc/61/84/69/587618469.db2.gz JHOGDZAOPVZHKN-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C=C(Cl)CN1CC[N@H+](CC)C[C@@H]1CC ZINC000831965096 587639810 /nfs/dbraw/zinc/63/98/10/587639810.db2.gz OXTBWDCWKATNGB-NSHDSACASA-N 1 1 216.756 2.155 20 30 BEEDMO C#CCCC[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000832093533 587644500 /nfs/dbraw/zinc/64/45/00/587644500.db2.gz GCKZWMZEVGLJAJ-GFCCVEGCSA-N 1 1 211.349 2.129 20 30 BEEDMO CCCCCCC[N@H+]1CC[C@@](CO)(COC)C1 ZINC000832394450 587657478 /nfs/dbraw/zinc/65/74/78/587657478.db2.gz GYOKMIQONYEXKM-CQSZACIVSA-N 1 1 243.391 2.288 20 30 BEEDMO C=CC(C)(C)C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000835211322 587789477 /nfs/dbraw/zinc/78/94/77/587789477.db2.gz FPQDSAVLAZWECL-JTQLQIEISA-N 1 1 236.315 2.335 20 30 BEEDMO C=CC(C)(C)C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000835396387 587799889 /nfs/dbraw/zinc/79/98/89/587799889.db2.gz MPEKKVCBWPJZTA-VXGBXAGGSA-N 1 1 237.343 2.369 20 30 BEEDMO C#CCCCC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835603091 587808624 /nfs/dbraw/zinc/80/86/24/587808624.db2.gz MQQOORSXQYPICQ-AGUYFDCRSA-N 1 1 249.354 2.206 20 30 BEEDMO C=C(CC)CNC(=O)CCCn1cc[nH+]c1C ZINC000837100452 587854071 /nfs/dbraw/zinc/85/40/71/587854071.db2.gz FWAVIYHLNJZISI-UHFFFAOYSA-N 1 1 235.331 2.054 20 30 BEEDMO CC(NNc1cc(C)nc[nH+]1)=C1CC1(F)F ZINC000841627020 587961714 /nfs/dbraw/zinc/96/17/14/587961714.db2.gz VVOFSHZDTPWOJJ-MRVPVSSYSA-N 1 1 226.230 2.228 20 30 BEEDMO C=CCCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150748 588003217 /nfs/dbraw/zinc/00/32/17/588003217.db2.gz XMWQVAWZDAKHJX-OAHLLOKOSA-N 1 1 244.338 2.490 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cn2cccnc2=S)C1 ZINC000842630187 588046696 /nfs/dbraw/zinc/04/66/96/588046696.db2.gz ZKOOMIAORVKEDZ-LBPRGKRZSA-N 1 1 247.367 2.305 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccnn1CC(C)C ZINC000842683765 588052221 /nfs/dbraw/zinc/05/22/21/588052221.db2.gz QXISAABVQFLMHF-UHFFFAOYSA-N 1 1 227.739 2.381 20 30 BEEDMO CC(C)Oc1cccc([C@@H](O)C[NH2+]CCC#N)c1 ZINC000843082287 588080386 /nfs/dbraw/zinc/08/03/86/588080386.db2.gz RVCABVCBEJZPAL-AWEZNQCLSA-N 1 1 248.326 2.010 20 30 BEEDMO CC(C)Oc1cccc([C@H](O)C[NH2+]CCC#N)c1 ZINC000843082289 588080507 /nfs/dbraw/zinc/08/05/07/588080507.db2.gz RVCABVCBEJZPAL-CQSZACIVSA-N 1 1 248.326 2.010 20 30 BEEDMO N#CCC[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843110705 588082433 /nfs/dbraw/zinc/08/24/33/588082433.db2.gz GZIKGJUYVKHAIS-LLVKDONJSA-N 1 1 242.681 2.016 20 30 BEEDMO C=CCCc1noc([C@H](C)[NH2+]C2CC2)n1 ZINC000843238248 588095296 /nfs/dbraw/zinc/09/52/96/588095296.db2.gz LWJXRHMRKDOVSF-QMMMGPOBSA-N 1 1 207.277 2.001 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000843422055 588107988 /nfs/dbraw/zinc/10/79/88/588107988.db2.gz BLPWNDVLCFUJGM-CHWSQXEVSA-N 1 1 223.385 2.475 20 30 BEEDMO C#CC[N@@H+](Cc1cc(OC(C)C)ccn1)C1CC1 ZINC000844318673 588184236 /nfs/dbraw/zinc/18/42/36/588184236.db2.gz SHYYANZCLZLVGC-UHFFFAOYSA-N 1 1 244.338 2.466 20 30 BEEDMO C#CC[N@H+](Cc1cc(OC(C)C)ccn1)C1CC1 ZINC000844318673 588184238 /nfs/dbraw/zinc/18/42/38/588184238.db2.gz SHYYANZCLZLVGC-UHFFFAOYSA-N 1 1 244.338 2.466 20 30 BEEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431267 588192355 /nfs/dbraw/zinc/19/23/55/588192355.db2.gz OVGOFVVJPVAIRX-HUBLWGQQSA-N 1 1 229.389 2.162 20 30 BEEDMO C#CCC[N@@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000844473152 588198269 /nfs/dbraw/zinc/19/82/69/588198269.db2.gz FYWZUNXQJQTDPN-LLVKDONJSA-N 1 1 225.332 2.062 20 30 BEEDMO C#CCC[N@H+](C)[C@H](CC)C(=O)OC(C)(C)C ZINC000844473152 588198270 /nfs/dbraw/zinc/19/82/70/588198270.db2.gz FYWZUNXQJQTDPN-LLVKDONJSA-N 1 1 225.332 2.062 20 30 BEEDMO C=C(C)CON=C1CC[N@H+](CC)C[C@@H]1C ZINC000844618810 588208676 /nfs/dbraw/zinc/20/86/76/588208676.db2.gz IYDUATDAAOKVPF-NSHDSACASA-N 1 1 210.321 2.297 20 30 BEEDMO C=C(C)CON=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000844618994 588208944 /nfs/dbraw/zinc/20/89/44/588208944.db2.gz QUDNIYSJZOALKG-SNVBAGLBSA-N 1 1 208.305 2.192 20 30 BEEDMO C=C[C@@H](C)ON=C1C[N@H+](C2CC2)C[C@H]1C ZINC000844621319 588209332 /nfs/dbraw/zinc/20/93/32/588209332.db2.gz GFLQVUXOCARXCO-NXEZZACHSA-N 1 1 208.305 2.048 20 30 BEEDMO C=CCCC[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844695509 588214328 /nfs/dbraw/zinc/21/43/28/588214328.db2.gz UGZXOSZEZOCRRQ-UHFFFAOYSA-N 1 1 236.359 2.387 20 30 BEEDMO C=CCCC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845740576 588243324 /nfs/dbraw/zinc/24/33/24/588243324.db2.gz QDOVPGCJFVYPDQ-NSHDSACASA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC(C)(C)C(=O)OC[C@@]12CC[N@@H+](C1)CCC2 ZINC000845798990 588245777 /nfs/dbraw/zinc/24/57/77/588245777.db2.gz JJFIBTOABDARGB-AWEZNQCLSA-N 1 1 237.343 2.228 20 30 BEEDMO C=CC(C)(C)C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845821077 588246313 /nfs/dbraw/zinc/24/63/13/588246313.db2.gz LXQVWXAQUKXNRY-MNOVXSKESA-N 1 1 225.332 2.082 20 30 BEEDMO N#CCCCC[C@H]([NH3+])c1nc(CC2CC2)no1 ZINC000846769485 588286840 /nfs/dbraw/zinc/28/68/40/588286840.db2.gz GWOQJQNULQDEFN-JTQLQIEISA-N 1 1 234.303 2.106 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2C[C@H](C)CC2(C)C)nn1 ZINC000846812045 588290434 /nfs/dbraw/zinc/29/04/34/588290434.db2.gz RPTNOZAOEBRTNS-GFCCVEGCSA-N 1 1 248.374 2.475 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000846966564 588298847 /nfs/dbraw/zinc/29/88/47/588298847.db2.gz CBGXTUYJHVFSQD-ZDUSSCGKSA-N 1 1 214.312 2.203 20 30 BEEDMO CCOC(C[N@@H+](CC)[C@H](C)CCC#N)OCC ZINC000846978310 588300027 /nfs/dbraw/zinc/30/00/27/588300027.db2.gz YPHYNXAJDVYFFE-GFCCVEGCSA-N 1 1 242.363 2.400 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000847019870 588301640 /nfs/dbraw/zinc/30/16/40/588301640.db2.gz SVNPNLGIAQPZDL-MGPQQGTHSA-N 1 1 221.344 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000847019049 588301890 /nfs/dbraw/zinc/30/18/90/588301890.db2.gz NYDMAYVJEGDMEV-NSHDSACASA-N 1 1 218.275 2.066 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000847019049 588301891 /nfs/dbraw/zinc/30/18/91/588301891.db2.gz NYDMAYVJEGDMEV-NSHDSACASA-N 1 1 218.275 2.066 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CCC2CCOCC2)C1 ZINC000847018493 588302007 /nfs/dbraw/zinc/30/20/07/588302007.db2.gz KNGQEZJYRKCWLU-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000847018748 588302062 /nfs/dbraw/zinc/30/20/62/588302062.db2.gz MLTBXPAIMFYYSO-LLVKDONJSA-N 1 1 241.294 2.068 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000847019062 588302189 /nfs/dbraw/zinc/30/21/89/588302189.db2.gz OHUGAXCYUWXIKY-GFCCVEGCSA-N 1 1 234.368 2.339 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000847019532 588302384 /nfs/dbraw/zinc/30/23/84/588302384.db2.gz RCMZFWXCLWZHIT-VIFPVBQESA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCOCCCC)C1 ZINC000847021904 588302636 /nfs/dbraw/zinc/30/26/36/588302636.db2.gz CVWUBNFGVOKQDM-CYBMUJFWSA-N 1 1 209.333 2.148 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000847021938 588302706 /nfs/dbraw/zinc/30/27/06/588302706.db2.gz DCYVAUNAQRJBRZ-ZFWWWQNUSA-N 1 1 229.323 2.065 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C)cn2)C1 ZINC000847022186 588302813 /nfs/dbraw/zinc/30/28/13/588302813.db2.gz SPKHSEADCDDRTA-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000847021022 588302931 /nfs/dbraw/zinc/30/29/31/588302931.db2.gz HPIXKNJFGGOVMK-STQMWFEESA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000847023051 588303203 /nfs/dbraw/zinc/30/32/03/588303203.db2.gz KTBPZQAGLWIVLS-SWLSCSKDSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCOCCC(C)C)C1 ZINC000847023010 588303386 /nfs/dbraw/zinc/30/33/86/588303386.db2.gz KMQNYBLEZSUKEM-CQSZACIVSA-N 1 1 223.360 2.394 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000847028684 588304150 /nfs/dbraw/zinc/30/41/50/588304150.db2.gz JZMYEVFMUSYGFW-CQSZACIVSA-N 1 1 229.323 2.411 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCOCC2CCC2)C1 ZINC000847038066 588304668 /nfs/dbraw/zinc/30/46/68/588304668.db2.gz VZFBIVCAMHJIEL-CYBMUJFWSA-N 1 1 221.344 2.148 20 30 BEEDMO C=CCC(C)(C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847817719 588331963 /nfs/dbraw/zinc/33/19/63/588331963.db2.gz BSBYJNNMQXHWCL-LBPRGKRZSA-N 1 1 239.359 2.474 20 30 BEEDMO C=CCCCC(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847822800 588333707 /nfs/dbraw/zinc/33/37/07/588333707.db2.gz BFODFORYVQTHOV-GFCCVEGCSA-N 1 1 225.332 2.228 20 30 BEEDMO CC(C)c1ccccc1C=NN1CC[NH+](C)CC1 ZINC000848398763 588377497 /nfs/dbraw/zinc/37/74/97/588377497.db2.gz DYVTVMURZSPJNM-UHFFFAOYSA-N 1 1 245.370 2.391 20 30 BEEDMO CC(C)CN=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848408268 588379106 /nfs/dbraw/zinc/37/91/06/588379106.db2.gz ZOWIVKRCUVAXJM-CYBMUJFWSA-N 1 1 223.364 2.236 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCC(C)(C)C#N ZINC000848517349 588389668 /nfs/dbraw/zinc/38/96/68/588389668.db2.gz DBPBIQWCVMHOCJ-RKDXNWHRSA-N 1 1 209.293 2.081 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCCC(C)(C)C#N ZINC000848517346 588389781 /nfs/dbraw/zinc/38/97/81/588389781.db2.gz DBPBIQWCVMHOCJ-BDAKNGLRSA-N 1 1 209.293 2.081 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1C#N ZINC000848519695 588390618 /nfs/dbraw/zinc/39/06/18/588390618.db2.gz OPGINRAJHAAVGJ-SKDRFNHKSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000848520284 588391054 /nfs/dbraw/zinc/39/10/54/588391054.db2.gz PVJVYMCPGZOUHZ-LDYMZIIASA-N 1 1 247.273 2.352 20 30 BEEDMO CC1(c2noc([C@H]([NH3+])CCCCC#N)n2)CC1 ZINC000848630462 588402760 /nfs/dbraw/zinc/40/27/60/588402760.db2.gz MABKZAPQZSBVJE-SECBINFHSA-N 1 1 234.303 2.205 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000848899179 588418098 /nfs/dbraw/zinc/41/80/98/588418098.db2.gz DTACVSDFHOXBIE-UHFFFAOYSA-N 1 1 243.690 2.217 20 30 BEEDMO C=CC[N@@H+](Cc1cnc(Cl)n1C)C1CC1 ZINC000848903080 588418337 /nfs/dbraw/zinc/41/83/37/588418337.db2.gz XUXBXIQECVSJKJ-UHFFFAOYSA-N 1 1 225.723 2.224 20 30 BEEDMO C=CC[N@H+](Cc1cnc(Cl)n1C)C1CC1 ZINC000848903080 588418338 /nfs/dbraw/zinc/41/83/38/588418338.db2.gz XUXBXIQECVSJKJ-UHFFFAOYSA-N 1 1 225.723 2.224 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)C(C)(C)C ZINC000848911814 588419030 /nfs/dbraw/zinc/41/90/30/588419030.db2.gz ILDDBPKFTZEDCL-CQSZACIVSA-N 1 1 245.370 2.357 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2(SC)CC2)C1 ZINC000848924074 588419494 /nfs/dbraw/zinc/41/94/94/588419494.db2.gz MZXZPXKOEDQITR-NSHDSACASA-N 1 1 209.358 2.227 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000848923352 588421207 /nfs/dbraw/zinc/42/12/07/588421207.db2.gz CCTNDBUIHZUGPY-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO Cc1cc(C)cc([C@H](O)C[NH+]2CC(CC#N)C2)c1 ZINC000849326104 588472899 /nfs/dbraw/zinc/47/28/99/588472899.db2.gz CSPURNDZXNCKES-OAHLLOKOSA-N 1 1 244.338 2.182 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000850145571 588521949 /nfs/dbraw/zinc/52/19/49/588521949.db2.gz PELJKDWHSXAMDC-UHFFFAOYSA-N 1 1 225.723 2.140 20 30 BEEDMO C#Cc1cccc(C[NH2+]Cc2nc(C)c(C)[nH]2)c1 ZINC000850321319 588536776 /nfs/dbraw/zinc/53/67/76/588536776.db2.gz KTIAKHXIMIRSTR-UHFFFAOYSA-N 1 1 239.322 2.298 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000851714185 588615577 /nfs/dbraw/zinc/61/55/77/588615577.db2.gz GCWKBIVXFWSVFB-INIZCTEOSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CCOCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000851717099 588616426 /nfs/dbraw/zinc/61/64/26/588616426.db2.gz HTPYKHSOAPDZAD-NSHDSACASA-N 1 1 235.352 2.317 20 30 BEEDMO C#CCOCC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000851786376 588628751 /nfs/dbraw/zinc/62/87/51/588628751.db2.gz ZQJRKMCYTOWUCK-HZSPNIEDSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CCOCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000851801723 588630683 /nfs/dbraw/zinc/63/06/83/588630683.db2.gz RKMKHRLXKNVSCC-ZDUSSCGKSA-N 1 1 247.338 2.425 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000851800717 588630868 /nfs/dbraw/zinc/63/08/68/588630868.db2.gz PHZDJAOWDNDPHA-UKRRQHHQSA-N 1 1 229.323 2.329 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000851800715 588630961 /nfs/dbraw/zinc/63/09/61/588630961.db2.gz PHZDJAOWDNDPHA-DZGCQCFKSA-N 1 1 229.323 2.329 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000851813208 588632822 /nfs/dbraw/zinc/63/28/22/588632822.db2.gz QOAMGNZTHLCEHY-OAHLLOKOSA-N 1 1 244.338 2.177 20 30 BEEDMO C[C@@H]1COCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000851865823 588636550 /nfs/dbraw/zinc/63/65/50/588636550.db2.gz IQDPHEHVXLJEHR-ZDUSSCGKSA-N 1 1 244.338 2.069 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000851918929 588643454 /nfs/dbraw/zinc/64/34/54/588643454.db2.gz GBNLVJSRXMFGDW-UONOGXRCSA-N 1 1 221.344 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000851923818 588644230 /nfs/dbraw/zinc/64/42/30/588644230.db2.gz XLMHXALSOJVQSP-GFCCVEGCSA-N 1 1 209.333 2.004 20 30 BEEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000851922655 588644384 /nfs/dbraw/zinc/64/43/84/588644384.db2.gz JRBHZJLLNFUESQ-UPJWGTAASA-N 1 1 222.332 2.180 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC[C@H]1CCC ZINC000851935913 588645898 /nfs/dbraw/zinc/64/58/98/588645898.db2.gz YZAZYUXUSXGEJY-CYBMUJFWSA-N 1 1 209.333 2.291 20 30 BEEDMO C#C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCO1 ZINC000851951479 588647650 /nfs/dbraw/zinc/64/76/50/588647650.db2.gz XFZGXWVJYQAUTG-IUCAKERBSA-N 1 1 234.126 2.076 20 30 BEEDMO C#CC[N@H+](C)Cc1cccc(SC)c1 ZINC000851977978 588650461 /nfs/dbraw/zinc/65/04/61/588650461.db2.gz IWIWSBNXHYYZSR-UHFFFAOYSA-N 1 1 205.326 2.474 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000852017802 588655866 /nfs/dbraw/zinc/65/58/66/588655866.db2.gz GEDGHCZGZJGVTN-HNNXBMFYSA-N 1 1 247.313 2.207 20 30 BEEDMO C#CC[N@H+](CCOC(F)F)Cc1ccccc1 ZINC000852046426 588657548 /nfs/dbraw/zinc/65/75/48/588657548.db2.gz STKCEWLWCXBXDU-UHFFFAOYSA-N 1 1 239.265 2.361 20 30 BEEDMO CO[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)C#N)C1 ZINC000852088544 588660874 /nfs/dbraw/zinc/66/08/74/588660874.db2.gz KRXKIQSFALGTLO-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]Cc1cnc(Cl)cn1 ZINC000852103910 588663655 /nfs/dbraw/zinc/66/36/55/588663655.db2.gz VHLBCYJYNLYMBU-NSHDSACASA-N 1 1 223.707 2.022 20 30 BEEDMO C#CCOCC[N@H+]1CCCc2ccccc2CC1 ZINC000852139905 588666498 /nfs/dbraw/zinc/66/64/98/588666498.db2.gz GCAADUDKEMVROH-UHFFFAOYSA-N 1 1 243.350 2.127 20 30 BEEDMO C=C(Cl)C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000852157618 588667805 /nfs/dbraw/zinc/66/78/05/588667805.db2.gz BZRBIWWVZPSBLY-UHFFFAOYSA-N 1 1 215.724 2.118 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000852206325 588671340 /nfs/dbraw/zinc/67/13/40/588671340.db2.gz HCLOZVQOLNYRBB-NEPJUHHUSA-N 1 1 243.297 2.146 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000852206501 588671674 /nfs/dbraw/zinc/67/16/74/588671674.db2.gz KXNPOTAARCCUBW-MGPQQGTHSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000852207001 588671781 /nfs/dbraw/zinc/67/17/81/588671781.db2.gz WTJVLVOSLVIABK-MCIONIFRSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852206757 588671839 /nfs/dbraw/zinc/67/18/39/588671839.db2.gz REXFHZNWTVSQGE-LBPRGKRZSA-N 1 1 232.302 2.456 20 30 BEEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852320127 588678379 /nfs/dbraw/zinc/67/83/79/588678379.db2.gz WWVFVPIWLXMHQK-NSHDSACASA-N 1 1 233.290 2.346 20 30 BEEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(F)n2)C1 ZINC000852320127 588678380 /nfs/dbraw/zinc/67/83/80/588678380.db2.gz WWVFVPIWLXMHQK-NSHDSACASA-N 1 1 233.290 2.346 20 30 BEEDMO CC(C)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326895 588678854 /nfs/dbraw/zinc/67/88/54/588678854.db2.gz PXTIEAKDRBKLSD-AWEZNQCLSA-N 1 1 229.327 2.347 20 30 BEEDMO CC(C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326895 588678855 /nfs/dbraw/zinc/67/88/55/588678855.db2.gz PXTIEAKDRBKLSD-AWEZNQCLSA-N 1 1 229.327 2.347 20 30 BEEDMO C=CC[N@H+](CC(=C)Cl)[C@H](C)COC ZINC000852357054 588679628 /nfs/dbraw/zinc/67/96/28/588679628.db2.gz WLARNIGSCSKRIS-SNVBAGLBSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](CC(=C)Cl)[C@H](C)COC ZINC000852357054 588679629 /nfs/dbraw/zinc/67/96/29/588679629.db2.gz WLARNIGSCSKRIS-SNVBAGLBSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1)[C@@H](C)COC ZINC000852357235 588679841 /nfs/dbraw/zinc/67/98/41/588679841.db2.gz YIOUQDXVNVVCIK-ZFWWWQNUSA-N 1 1 249.354 2.243 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](CCN2CCCC2)C1 ZINC000852410059 588681335 /nfs/dbraw/zinc/68/13/35/588681335.db2.gz GXPIMNKTUOODBQ-AWEZNQCLSA-N 1 1 222.376 2.370 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](CCC2OCCCO2)C1 ZINC000852410985 588681514 /nfs/dbraw/zinc/68/15/14/588681514.db2.gz QUWVTNHHTSDZSW-ZDUSSCGKSA-N 1 1 239.359 2.428 20 30 BEEDMO C#CCCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852472154 588683142 /nfs/dbraw/zinc/68/31/42/588683142.db2.gz ZAUNTCALVRVZEN-MQMHXKEQSA-N 1 1 237.343 2.111 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000852495383 588685627 /nfs/dbraw/zinc/68/56/27/588685627.db2.gz JKLPZFALRVWQDL-RDBSUJKOSA-N 1 1 249.354 2.063 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COC(C)(C)O1 ZINC000852687264 588696256 /nfs/dbraw/zinc/69/62/56/588696256.db2.gz IAMOSZPLWVPOEB-FRRDWIJNSA-N 1 1 237.343 2.321 20 30 BEEDMO C#CC[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852742095 588698649 /nfs/dbraw/zinc/69/86/49/588698649.db2.gz CHHPYTAZPGNMMR-UHFFFAOYSA-N 1 1 228.339 2.059 20 30 BEEDMO C=C(Cl)CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000852750289 588699129 /nfs/dbraw/zinc/69/91/29/588699129.db2.gz YSMBFMUQGVUELF-GFCCVEGCSA-N 1 1 228.767 2.060 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccsc1 ZINC000852748477 588699666 /nfs/dbraw/zinc/69/96/66/588699666.db2.gz AGXNKBHOCGOHSF-UHFFFAOYSA-N 1 1 223.341 2.220 20 30 BEEDMO C#CCC[N@@H+](CCOC)Cc1cc(C2CC2)no1 ZINC000852750244 588699804 /nfs/dbraw/zinc/69/98/04/588699804.db2.gz PJNSDPWEEIOWNR-UHFFFAOYSA-N 1 1 248.326 2.024 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cc(C2CC2)no1 ZINC000852750244 588699805 /nfs/dbraw/zinc/69/98/05/588699805.db2.gz PJNSDPWEEIOWNR-UHFFFAOYSA-N 1 1 248.326 2.024 20 30 BEEDMO C=C(C)CC[C@@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860855103 589124248 /nfs/dbraw/zinc/12/42/48/589124248.db2.gz RHGTYCAIRIOHAX-GFCCVEGCSA-N 1 1 236.315 2.480 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc2n[nH]cc21 ZINC000862233272 589195852 /nfs/dbraw/zinc/19/58/52/589195852.db2.gz JDBHIWBKSIIRHL-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO CCCCCCCNC(=O)C[N@@H+](C)CCC ZINC000862360102 589203764 /nfs/dbraw/zinc/20/37/64/589203764.db2.gz XLCHUSMFJJPGDI-UHFFFAOYSA-N 1 1 228.380 2.415 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@]1(C)CCCS1 ZINC000862418286 589205710 /nfs/dbraw/zinc/20/57/10/589205710.db2.gz LUZSGHROKCGQNE-CYBMUJFWSA-N 1 1 241.400 2.244 20 30 BEEDMO C#Cc1ccc(C[N@H+](CCO)[C@H](C)CC)cc1 ZINC000862387292 589207396 /nfs/dbraw/zinc/20/73/96/589207396.db2.gz JMQXYOFKQQKGPD-CYBMUJFWSA-N 1 1 231.339 2.261 20 30 BEEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1c[nH]nn1 ZINC000862424271 589211677 /nfs/dbraw/zinc/21/16/77/589211677.db2.gz KMQBDZJVKCNPSX-LLVKDONJSA-N 1 1 222.336 2.419 20 30 BEEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1cn[nH]n1 ZINC000862424271 589211679 /nfs/dbraw/zinc/21/16/79/589211679.db2.gz KMQBDZJVKCNPSX-LLVKDONJSA-N 1 1 222.336 2.419 20 30 BEEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)nn2)C1 ZINC000862441715 589213517 /nfs/dbraw/zinc/21/35/17/589213517.db2.gz UPVYEUOHWDSCLH-LBPRGKRZSA-N 1 1 217.316 2.183 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000862444818 589214556 /nfs/dbraw/zinc/21/45/56/589214556.db2.gz HISVWXKVENMYGU-GFCCVEGCSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000862445633 589214885 /nfs/dbraw/zinc/21/48/85/589214885.db2.gz YOAKLLDTDDCLRC-OLZOCXBDSA-N 1 1 205.301 2.024 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccnc(C)c2)C1 ZINC000862448047 589215040 /nfs/dbraw/zinc/21/50/40/589215040.db2.gz VXCNGWMWIZXROC-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862531086 589217723 /nfs/dbraw/zinc/21/77/23/589217723.db2.gz WNCWFRZQTDNKKL-OAHLLOKOSA-N 1 1 247.313 2.228 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000862531086 589217725 /nfs/dbraw/zinc/21/77/25/589217725.db2.gz WNCWFRZQTDNKKL-OAHLLOKOSA-N 1 1 247.313 2.228 20 30 BEEDMO CC1(C)CCC[C@H]1NN=C1C[N@H+]2C[C@@H]1CCC2 ZINC000863110323 589257721 /nfs/dbraw/zinc/25/77/21/589257721.db2.gz OVKFCJONBFCNLU-WCQYABFASA-N 1 1 235.375 2.236 20 30 BEEDMO CC1(C#N)CCC(=[NH+]n2cccn2)CC1 ZINC000863163880 589266300 /nfs/dbraw/zinc/26/63/00/589266300.db2.gz RZENXOJBJQLLAT-UHFFFAOYSA-N 1 1 202.261 2.191 20 30 BEEDMO C#CCCCO[NH+]=C(N)CCC(F)(F)F ZINC000863490936 589294043 /nfs/dbraw/zinc/29/40/43/589294043.db2.gz SRUKDSLMIHBTJC-UHFFFAOYSA-N 1 1 222.210 2.241 20 30 BEEDMO COc1c(C)c[nH+]c(CN2CC(CC#N)C2)c1C ZINC000864052050 589335040 /nfs/dbraw/zinc/33/50/40/589335040.db2.gz ZQUZKNIBXIUJEO-UHFFFAOYSA-N 1 1 245.326 2.053 20 30 BEEDMO C=CCC[N@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866703548 589513511 /nfs/dbraw/zinc/51/35/11/589513511.db2.gz JSANTGQDHJTBDC-CYBMUJFWSA-N 1 1 210.365 2.259 20 30 BEEDMO C=CCC[N@@H+]1CC[C@](CN)(C(C)(C)C)C1 ZINC000866703548 589513513 /nfs/dbraw/zinc/51/35/13/589513513.db2.gz JSANTGQDHJTBDC-CYBMUJFWSA-N 1 1 210.365 2.259 20 30 BEEDMO C=CCOCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869388734 589602854 /nfs/dbraw/zinc/60/28/54/589602854.db2.gz IVWVJDGXXAPEMB-UHFFFAOYSA-N 1 1 249.310 2.253 20 30 BEEDMO N#Cc1ccc(CCO[NH+]=C(N)C2CCC2)cc1 ZINC000871766106 589810107 /nfs/dbraw/zinc/81/01/07/589810107.db2.gz UULXDQBEWMTSBU-UHFFFAOYSA-N 1 1 243.310 2.399 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC(C)C)no1 ZINC000871782289 589817430 /nfs/dbraw/zinc/81/74/30/589817430.db2.gz MVOKFOUKLSBVMG-QMMMGPOBSA-N 1 1 229.711 2.411 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(C)CC2)no1 ZINC000872184376 589889784 /nfs/dbraw/zinc/88/97/84/589889784.db2.gz SYHCHFQJDSTQMP-ZETCQYMHSA-N 1 1 227.695 2.264 20 30 BEEDMO C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000872326460 589913279 /nfs/dbraw/zinc/91/32/79/589913279.db2.gz JWEVYLNCTGHJGS-VIFPVBQESA-N 1 1 248.286 2.087 20 30 BEEDMO C[C@@H]1C(=NOCc2ccccc2)CC[N@@H+]1C ZINC000872340627 589914358 /nfs/dbraw/zinc/91/43/58/589914358.db2.gz IPZLXKGZJFQVBL-LLVKDONJSA-N 1 1 218.300 2.283 20 30 BEEDMO COc1ccc(N=NC2CC[N@@H+](C)[C@H]2C)cc1 ZINC000872359521 589918850 /nfs/dbraw/zinc/91/88/50/589918850.db2.gz HRUOWYZVVGZRQY-JTQLQIEISA-N 1 1 233.315 2.187 20 30 BEEDMO C[C@@H]1C(N=Nc2cc(Cl)ccn2)CC[N@H+]1C ZINC000872364968 589920679 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632103619 /nfs/dbraw/zinc/10/36/19/632103619.db2.gz AYNJRAHYVAQEKT-UHFFFAOYSA-N 1 1 228.299 2.020 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001028479297 635691283 /nfs/dbraw/zinc/69/12/83/635691283.db2.gz HISLWTCYUUMQAI-ZDUSSCGKSA-N 1 1 248.370 2.111 20 30 BEEDMO CC(C)C[N@H+](CCC#N)CCCCCO ZINC000051020059 632397824 /nfs/dbraw/zinc/39/78/24/632397824.db2.gz CHPSHNLTACRUSE-UHFFFAOYSA-N 1 1 212.337 2.021 20 30 BEEDMO N#CCC[NH2+]C/C=C/c1ccc(F)cc1 ZINC000308950948 632575160 /nfs/dbraw/zinc/57/51/60/632575160.db2.gz UZYODOMGNDEKGS-HNQUOIGGSA-N 1 1 204.248 2.342 20 30 BEEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972815756 632681592 /nfs/dbraw/zinc/68/15/92/632681592.db2.gz YQYFOPQMVGDUOO-GFCCVEGCSA-N 1 1 238.375 2.045 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1nc2c(s1)CCC2 ZINC000309184377 632706162 /nfs/dbraw/zinc/70/61/62/632706162.db2.gz OKNYMORZAOEHLN-SECBINFHSA-N 1 1 220.341 2.133 20 30 BEEDMO CCCCCCCN(C)Cc1nnc[nH]1 ZINC000177154500 632772217 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C[C@@]1(C#N)CCC[N@H+](CCc2cncs2)C1 ZINC000591026504 347611244 /nfs/dbraw/zinc/61/12/44/347611244.db2.gz CJJNVRXQNSJKIA-LBPRGKRZSA-N 1 1 235.356 2.311 20 30 BEEDMO C[C@@]1(C#N)CCC[N@@H+](CCc2cncs2)C1 ZINC000591026504 347611248 /nfs/dbraw/zinc/61/12/48/347611248.db2.gz CJJNVRXQNSJKIA-LBPRGKRZSA-N 1 1 235.356 2.311 20 30 BEEDMO CO[C@H]1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000591026595 347611263 /nfs/dbraw/zinc/61/12/63/347611263.db2.gz BVCBXMVJTSDIMO-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591055379 347612012 /nfs/dbraw/zinc/61/20/12/347612012.db2.gz ICABOCZAMFGFHE-OCCSQVGLSA-N 1 1 237.343 2.063 20 30 BEEDMO C[C@H](COc1ccc(F)cc1F)[NH2+]CCC#N ZINC000591729287 347693167 /nfs/dbraw/zinc/69/31/67/347693167.db2.gz XNIQTPDOMJAAHO-SECBINFHSA-N 1 1 240.253 2.235 20 30 BEEDMO CO[C@@H](C[NH2+][C@H](C)CC#N)Cc1ccccc1 ZINC000590799492 347701343 /nfs/dbraw/zinc/70/13/43/347701343.db2.gz BJSWKSZFHLNOOO-TZMCWYRMSA-N 1 1 232.327 2.136 20 30 BEEDMO CO[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000591845583 347706121 /nfs/dbraw/zinc/70/61/21/347706121.db2.gz PQWFYTUBLUTLDS-STQMWFEESA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592055749 347731485 /nfs/dbraw/zinc/73/14/85/347731485.db2.gz FIQGXWDNBLAIGX-TXEJJXNPSA-N 1 1 229.327 2.431 20 30 BEEDMO C[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592055882 347731735 /nfs/dbraw/zinc/73/17/35/347731735.db2.gz MRFXDQGNJVHXJU-LLVKDONJSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592055882 347731738 /nfs/dbraw/zinc/73/17/38/347731738.db2.gz MRFXDQGNJVHXJU-LLVKDONJSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@H]1CCCC[N@@H+]1Cc1ccncc1C#N ZINC000592055769 347731819 /nfs/dbraw/zinc/73/18/19/347731819.db2.gz HXFPTRNIILHAOU-NSHDSACASA-N 1 1 215.300 2.328 20 30 BEEDMO C[C@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592055769 347731822 /nfs/dbraw/zinc/73/18/22/347731822.db2.gz HXFPTRNIILHAOU-NSHDSACASA-N 1 1 215.300 2.328 20 30 BEEDMO 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BEEDMO CCCCOCC[N@@H+](CC)C[C@H](C)C#N ZINC000042449779 191065858 /nfs/dbraw/zinc/06/58/58/191065858.db2.gz RECPVALIOYXCFO-GFCCVEGCSA-N 1 1 212.337 2.285 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000117881266 350229443 /nfs/dbraw/zinc/22/94/43/350229443.db2.gz ULWBPLYBTMTZCM-ZJUUUORDSA-N 1 1 237.265 2.340 20 30 BEEDMO COCc1cccc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000038010822 350296830 /nfs/dbraw/zinc/29/68/30/350296830.db2.gz SULHNRUBIVHDTK-NSHDSACASA-N 1 1 218.300 2.082 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)C1CCC1 ZINC000606434726 350332999 /nfs/dbraw/zinc/33/29/99/350332999.db2.gz RNKZFMSKXRTAGF-UHFFFAOYSA-N 1 1 236.359 2.061 20 30 BEEDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000328527837 350400946 /nfs/dbraw/zinc/40/09/46/350400946.db2.gz VLVALYQBKRAPJH-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO CCC[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000328527837 350400947 /nfs/dbraw/zinc/40/09/47/350400947.db2.gz VLVALYQBKRAPJH-OAHLLOKOSA-N 1 1 243.354 2.132 20 30 BEEDMO CC[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336669085 350433413 /nfs/dbraw/zinc/43/34/13/350433413.db2.gz HTRXEGLAMHGFPE-NEPJUHHUSA-N 1 1 224.348 2.426 20 30 BEEDMO C=C(C)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336649243 350418499 /nfs/dbraw/zinc/41/84/99/350418499.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 1 1 210.365 2.367 20 30 BEEDMO C=C(C)C[N@@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000336649243 350418508 /nfs/dbraw/zinc/41/85/08/350418508.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 1 1 210.365 2.367 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000336649243 350418512 /nfs/dbraw/zinc/41/85/12/350418512.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 1 1 210.365 2.367 20 30 BEEDMO C=C(C)C[N@@H+](CC)Cc1cc(C)n(C)n1 ZINC000336653821 350420554 /nfs/dbraw/zinc/42/05/54/350420554.db2.gz YSZKAQFLXPLIBI-UHFFFAOYSA-N 1 1 207.321 2.127 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1cc(C)n(C)n1 ZINC000336653821 350420558 /nfs/dbraw/zinc/42/05/58/350420558.db2.gz YSZKAQFLXPLIBI-UHFFFAOYSA-N 1 1 207.321 2.127 20 30 BEEDMO CCOCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000336654312 350421222 /nfs/dbraw/zinc/42/12/22/350421222.db2.gz ZTWWLCUZQZOYAD-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cc(C)n(C)n1 ZINC000336654194 350421564 /nfs/dbraw/zinc/42/15/64/350421564.db2.gz ZNGQTRAWYQBVDO-UHFFFAOYSA-N 1 1 207.321 2.127 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](CCC1CCOCC1)C1CC1 ZINC000336659895 350423000 /nfs/dbraw/zinc/42/30/00/350423000.db2.gz QKHNQHFQYBMGOZ-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO CC(C)[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000336666876 350427832 /nfs/dbraw/zinc/42/78/32/350427832.db2.gz MOMAHJUDRGZIBD-LBPRGKRZSA-N 1 1 226.364 2.265 20 30 BEEDMO CCSCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336668591 350429102 /nfs/dbraw/zinc/42/91/02/350429102.db2.gz BOPFAUSXWBGUQQ-SNVBAGLBSA-N 1 1 212.362 2.364 20 30 BEEDMO CCSCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000336668591 350429106 /nfs/dbraw/zinc/42/91/06/350429106.db2.gz BOPFAUSXWBGUQQ-SNVBAGLBSA-N 1 1 212.362 2.364 20 30 BEEDMO CC(C)N1CCC([N@H+](C)CCCC#N)CC1 ZINC000336672509 350431184 /nfs/dbraw/zinc/43/11/84/350431184.db2.gz KKNUMKYHODHFES-UHFFFAOYSA-N 1 1 223.364 2.095 20 30 BEEDMO CC(C)N1CCC([N@@H+](C)CCCC#N)CC1 ZINC000336672509 350431186 /nfs/dbraw/zinc/43/11/86/350431186.db2.gz KKNUMKYHODHFES-UHFFFAOYSA-N 1 1 223.364 2.095 20 30 BEEDMO CC(C)(C)[C@@H](O)C[N@@H+](CCC#N)CC1CC1 ZINC000336669040 350432987 /nfs/dbraw/zinc/43/29/87/350432987.db2.gz UWEMEMQMHYUAHN-LBPRGKRZSA-N 1 1 224.348 2.019 20 30 BEEDMO COC(C)(C)CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000336668634 350433001 /nfs/dbraw/zinc/43/30/01/350433001.db2.gz PIWCKBZCUFFICO-NSHDSACASA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000336698169 350452928 /nfs/dbraw/zinc/45/29/28/350452928.db2.gz IGBCPFJRTAZVST-NEPJUHHUSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H](C#N)C[N@H+](CCOCC1CC1)C1CC1 ZINC000336702341 350458199 /nfs/dbraw/zinc/45/81/99/350458199.db2.gz NKKITDKXVNVQMK-NSHDSACASA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](CCOCC1CC1)C1CC1 ZINC000336702341 350458201 /nfs/dbraw/zinc/45/82/01/350458201.db2.gz NKKITDKXVNVQMK-NSHDSACASA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@H](C#N)CN(CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000336701553 350458305 /nfs/dbraw/zinc/45/83/05/350458305.db2.gz LSLGNHPNOPRRBX-CHWSQXEVSA-N 1 1 235.375 2.095 20 30 BEEDMO C[C@H](C#N)C[N@H+](CCOC(C)(C)C)C1CC1 ZINC000336683125 350442324 /nfs/dbraw/zinc/44/23/24/350442324.db2.gz SKGDMOKFMHUXKP-LLVKDONJSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](C#N)C[N@@H+](CCOC(C)(C)C)C1CC1 ZINC000336683125 350442328 /nfs/dbraw/zinc/44/23/28/350442328.db2.gz SKGDMOKFMHUXKP-LLVKDONJSA-N 1 1 224.348 2.426 20 30 BEEDMO CC#CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336719037 350473044 /nfs/dbraw/zinc/47/30/44/350473044.db2.gz RQBGDSCDMSPBGP-HNNXBMFYSA-N 1 1 234.387 2.064 20 30 BEEDMO CC#CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336719037 350473048 /nfs/dbraw/zinc/47/30/48/350473048.db2.gz RQBGDSCDMSPBGP-HNNXBMFYSA-N 1 1 234.387 2.064 20 30 BEEDMO CC#CCCN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336719037 350473053 /nfs/dbraw/zinc/47/30/53/350473053.db2.gz RQBGDSCDMSPBGP-HNNXBMFYSA-N 1 1 234.387 2.064 20 30 BEEDMO CC#CCCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336719037 350473056 /nfs/dbraw/zinc/47/30/56/350473056.db2.gz RQBGDSCDMSPBGP-HNNXBMFYSA-N 1 1 234.387 2.064 20 30 BEEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCCC#N ZINC000163151824 350507794 /nfs/dbraw/zinc/50/77/94/350507794.db2.gz JBYAMFLPHMBFIL-STQMWFEESA-N 1 1 224.348 2.306 20 30 BEEDMO C=CCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000606897948 350623607 /nfs/dbraw/zinc/62/36/07/350623607.db2.gz OMQSIVWIBPVLCL-LBPRGKRZSA-N 1 1 205.305 2.096 20 30 BEEDMO COCC#CC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000677817741 490664300 /nfs/dbraw/zinc/66/43/00/490664300.db2.gz ATRQTBJQUXNJGE-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC(C)(C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000628312410 350813401 /nfs/dbraw/zinc/81/34/01/350813401.db2.gz AKETWFAQRJAKJY-LBPRGKRZSA-N 1 1 238.375 2.047 20 30 BEEDMO C#CC[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000051855225 350864031 /nfs/dbraw/zinc/86/40/31/350864031.db2.gz ASLOBZVWOKSFGJ-UHFFFAOYSA-N 1 1 212.296 2.403 20 30 BEEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000397572401 350920517 /nfs/dbraw/zinc/92/05/17/350920517.db2.gz CIOOIQGHEDAEJT-OLZOCXBDSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CC[N@@H+](C)CCOc1cccc(F)c1 ZINC000052128861 350935997 /nfs/dbraw/zinc/93/59/97/350935997.db2.gz VGNDOOHGEJOFOL-UHFFFAOYSA-N 1 1 209.264 2.322 20 30 BEEDMO Cc1ncc(C[N@H+](C)CCCC#N)s1 ZINC000052101330 350937204 /nfs/dbraw/zinc/93/72/04/350937204.db2.gz BHYJQZXOZSMOPU-UHFFFAOYSA-N 1 1 209.318 2.187 20 30 BEEDMO Cc1ncc(C[N@@H+](C)CCCC#N)s1 ZINC000052101330 350937208 /nfs/dbraw/zinc/93/72/08/350937208.db2.gz BHYJQZXOZSMOPU-UHFFFAOYSA-N 1 1 209.318 2.187 20 30 BEEDMO CCCCOCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397651926 350958463 /nfs/dbraw/zinc/95/84/63/350958463.db2.gz UEWCUTKKXWVNAO-CYBMUJFWSA-N 1 1 224.348 2.429 20 30 BEEDMO COCC1(C[N@H+]2CCC[C@@H](CC#N)C2)CCC1 ZINC000397702109 350961975 /nfs/dbraw/zinc/96/19/75/350961975.db2.gz MFWCQWOIUZSWSG-ZDUSSCGKSA-N 1 1 236.359 2.429 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159793941 350997996 /nfs/dbraw/zinc/99/79/96/350997996.db2.gz MGHUVKOZQZSZRS-BETUJISGSA-N 1 1 244.338 2.476 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000159793941 350997999 /nfs/dbraw/zinc/99/79/99/350997999.db2.gz MGHUVKOZQZSZRS-BETUJISGSA-N 1 1 244.338 2.476 20 30 BEEDMO C=CC(C)(C)CCNC(=O)C[N@H+](C)CCC ZINC000628316379 351048334 /nfs/dbraw/zinc/04/83/34/351048334.db2.gz SJOAZTPOGHYVJY-UHFFFAOYSA-N 1 1 226.364 2.047 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000070740422 351064404 /nfs/dbraw/zinc/06/44/04/351064404.db2.gz CFLIFQORBYMEHQ-ZDUSSCGKSA-N 1 1 246.354 2.118 20 30 BEEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1F ZINC000258973345 351068125 /nfs/dbraw/zinc/06/81/25/351068125.db2.gz TXECLQFLUMZNLS-UHFFFAOYSA-N 1 1 234.274 2.228 20 30 BEEDMO CC#CC[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000119478217 358461532 /nfs/dbraw/zinc/46/15/32/358461532.db2.gz CBAHDJRHONQAJZ-ZDUSSCGKSA-N 1 1 209.333 2.291 20 30 BEEDMO COCc1cccc(C[NH2+][C@H](C)CC#N)c1 ZINC000038010851 351254579 /nfs/dbraw/zinc/25/45/79/351254579.db2.gz HQVPBFGBHBMCLK-LLVKDONJSA-N 1 1 218.300 2.225 20 30 BEEDMO COCc1cccc(C[NH2+][C@@H](C)CC#N)c1 ZINC000038010850 351254593 /nfs/dbraw/zinc/25/45/93/351254593.db2.gz HQVPBFGBHBMCLK-NSHDSACASA-N 1 1 218.300 2.225 20 30 BEEDMO N#CCC[N@@H+](Cc1ccc(CO)cc1)CC1CC1 ZINC000272282001 351467255 /nfs/dbraw/zinc/46/72/55/351467255.db2.gz FQIUGGPUISMREL-UHFFFAOYSA-N 1 1 244.338 2.305 20 30 BEEDMO N#CCC[N@H+](Cc1ccc(CO)cc1)CC1CC1 ZINC000272282001 351467259 /nfs/dbraw/zinc/46/72/59/351467259.db2.gz FQIUGGPUISMREL-UHFFFAOYSA-N 1 1 244.338 2.305 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882382 351422694 /nfs/dbraw/zinc/42/26/94/351422694.db2.gz CXHQRXUIOLQKOD-ZJUUUORDSA-N 1 1 237.265 2.198 20 30 BEEDMO CCc1cc(N2CCC(C#N)CC2)nc(C)[nH+]1 ZINC000272893215 351500575 /nfs/dbraw/zinc/50/05/75/351500575.db2.gz OCWLJZBZQPZJMM-UHFFFAOYSA-N 1 1 230.315 2.087 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000273244357 351514364 /nfs/dbraw/zinc/51/43/64/351514364.db2.gz USWHBKVDYIBRRB-HIFRSBDPSA-N 1 1 246.354 2.072 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000273244357 351514367 /nfs/dbraw/zinc/51/43/67/351514367.db2.gz USWHBKVDYIBRRB-HIFRSBDPSA-N 1 1 246.354 2.072 20 30 BEEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000404053765 363053678 /nfs/dbraw/zinc/05/36/78/363053678.db2.gz GCVXEPCYEINGCY-TXEJJXNPSA-N 1 1 216.259 2.149 20 30 BEEDMO CCn1nccc1CC[N@H+](CCC#N)CC1CC1 ZINC000276270670 351613325 /nfs/dbraw/zinc/61/33/25/351613325.db2.gz CVLVZTJWTNRXKS-UHFFFAOYSA-N 1 1 246.358 2.071 20 30 BEEDMO CCn1nccc1CC[N@@H+](CCC#N)CC1CC1 ZINC000276270670 351613330 /nfs/dbraw/zinc/61/33/30/351613330.db2.gz CVLVZTJWTNRXKS-UHFFFAOYSA-N 1 1 246.358 2.071 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@H](OC)C1CCOCC1 ZINC000637837342 351691220 /nfs/dbraw/zinc/69/12/20/351691220.db2.gz FBGHNTOGCXWPDO-AWEZNQCLSA-N 1 1 241.375 2.326 20 30 BEEDMO C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000577720346 366042846 /nfs/dbraw/zinc/04/28/46/366042846.db2.gz QXWQAKHXUYPZOF-IUODEOHRSA-N 1 1 243.354 2.036 20 30 BEEDMO C#CC[N@@H+](C)CCCNc1cccc(F)c1C#N ZINC000292683348 351722175 /nfs/dbraw/zinc/72/21/75/351722175.db2.gz DUBPZKJXUCGEMV-UHFFFAOYSA-N 1 1 245.301 2.064 20 30 BEEDMO Cc1nn(C)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000405146459 351961076 /nfs/dbraw/zinc/96/10/76/351961076.db2.gz ZZRAMOPSDZHAJO-UHFFFAOYSA-N 1 1 246.358 2.211 20 30 BEEDMO N#CCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285290283 352034623 /nfs/dbraw/zinc/03/46/23/352034623.db2.gz GIMATYZLXGSYEP-LBPRGKRZSA-N 1 1 218.304 2.240 20 30 BEEDMO N#CCCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285290283 352034625 /nfs/dbraw/zinc/03/46/25/352034625.db2.gz GIMATYZLXGSYEP-LBPRGKRZSA-N 1 1 218.304 2.240 20 30 BEEDMO CCCCC(N)=[NH+]OCc1cncc(OC)c1 ZINC000288516621 352154424 /nfs/dbraw/zinc/15/44/24/352154424.db2.gz GPLVSXQFOFZYNW-UHFFFAOYSA-N 1 1 237.303 2.069 20 30 BEEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@@H](C)CC#N ZINC000340292786 352163595 /nfs/dbraw/zinc/16/35/95/352163595.db2.gz ZGNKMHWKFSQFBH-UONOGXRCSA-N 1 1 237.391 2.483 20 30 BEEDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](C)CCC#N ZINC000618888215 352165452 /nfs/dbraw/zinc/16/54/52/352165452.db2.gz ULVSKIIFFOZZDE-KGLIPLIRSA-N 1 1 237.391 2.198 20 30 BEEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cccn1C ZINC000618888320 352165797 /nfs/dbraw/zinc/16/57/97/352165797.db2.gz PPJXPOPMWCUTNN-LBPRGKRZSA-N 1 1 219.332 2.397 20 30 BEEDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000618888211 352165811 /nfs/dbraw/zinc/16/58/11/352165811.db2.gz ULVSKIIFFOZZDE-KBPBESRZSA-N 1 1 237.391 2.198 20 30 BEEDMO C=CC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840667 352166603 /nfs/dbraw/zinc/16/66/03/352166603.db2.gz ONMFUARKTAOPNP-HNNXBMFYSA-N 1 1 249.329 2.239 20 30 BEEDMO C=CCC(C)(C)C(=O)NCC[N@H+](CC)C(C)C ZINC000340312977 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CC#CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000155806213 201352722 /nfs/dbraw/zinc/35/27/22/201352722.db2.gz KCGBMQQNKQROTK-AWEZNQCLSA-N 1 1 222.376 2.206 20 30 BEEDMO CC#CCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000155806213 201352724 /nfs/dbraw/zinc/35/27/24/201352724.db2.gz KCGBMQQNKQROTK-AWEZNQCLSA-N 1 1 222.376 2.206 20 30 BEEDMO CC#CCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000155806213 201352725 /nfs/dbraw/zinc/35/27/25/201352725.db2.gz KCGBMQQNKQROTK-AWEZNQCLSA-N 1 1 222.376 2.206 20 30 BEEDMO CC#CCC[N@@H+]1CCC[C@H](COCC)C1 ZINC000155705393 201347178 /nfs/dbraw/zinc/34/71/78/201347178.db2.gz NOCNWXPHNKDZKC-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000614402515 363806088 /nfs/dbraw/zinc/80/60/88/363806088.db2.gz HSGQFTKCYJHYDG-HNNXBMFYSA-N 1 1 244.338 2.069 20 30 BEEDMO C[C@H](C#N)C[N@@H+](CC[C@@H]1CCOC1)C1CC1 ZINC000438107784 201390874 /nfs/dbraw/zinc/39/08/74/201390874.db2.gz WQKJLCDGGNHSKH-VXGBXAGGSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](CC[C@H]1CCOC1)C1CC1 ZINC000438107783 201391383 /nfs/dbraw/zinc/39/13/83/201391383.db2.gz WQKJLCDGGNHSKH-RYUDHWBXSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cc2)CC[N@H+]1C ZINC000090794961 363880082 /nfs/dbraw/zinc/88/00/82/363880082.db2.gz ZSENAZOHIKPGMF-SMDDNHRTSA-N 1 1 229.327 2.453 20 30 BEEDMO C#CCC[N@@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001641991180 1172314611 /nfs/dbraw/zinc/31/46/11/1172314611.db2.gz ANLSOLNJWRCTCG-CQSZACIVSA-N 1 1 229.323 2.335 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](C)CO ZINC000614963049 364235911 /nfs/dbraw/zinc/23/59/11/364235911.db2.gz QWIDJXZBOZSRAM-NWDGAFQWSA-N 1 1 232.327 2.179 20 30 BEEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181897050 366853891 /nfs/dbraw/zinc/85/38/91/366853891.db2.gz ZSHROYSQYZDXSW-JTQLQIEISA-N 1 1 239.319 2.175 20 30 BEEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181897050 366853895 /nfs/dbraw/zinc/85/38/95/366853895.db2.gz ZSHROYSQYZDXSW-JTQLQIEISA-N 1 1 239.319 2.175 20 30 BEEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000630760904 364539654 /nfs/dbraw/zinc/53/96/54/364539654.db2.gz BDPCYOTYHFEOLW-OLZOCXBDSA-N 1 1 248.370 2.086 20 30 BEEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C#N)s1 ZINC000573358181 364808862 /nfs/dbraw/zinc/80/88/62/364808862.db2.gz GMOQFWLLBXGYDE-JTQLQIEISA-N 1 1 244.323 2.153 20 30 BEEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000573931020 364948651 /nfs/dbraw/zinc/94/86/51/364948651.db2.gz IGHSRKHVTALGOW-NSHDSACASA-N 1 1 247.367 2.138 20 30 BEEDMO CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000574324160 365037356 /nfs/dbraw/zinc/03/73/56/365037356.db2.gz HDFWANIVLHUQSO-MCIONIFRSA-N 1 1 237.391 2.389 20 30 BEEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[C@@H](C#N)C1 ZINC000574324160 365037362 /nfs/dbraw/zinc/03/73/62/365037362.db2.gz HDFWANIVLHUQSO-MCIONIFRSA-N 1 1 237.391 2.389 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000442902286 193002521 /nfs/dbraw/zinc/00/25/21/193002521.db2.gz 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CC[N@@H+](CCCCC#N)[C@H]1CCCOC1 ZINC000402846512 369392327 /nfs/dbraw/zinc/39/23/27/369392327.db2.gz QVKQKJCDMHZQLH-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO CO[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000400108392 369342466 /nfs/dbraw/zinc/34/24/66/369342466.db2.gz DPOYZXSLVGOCBA-AAEUAGOBSA-N 1 1 222.332 2.037 20 30 BEEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCCC#N ZINC000403919739 369415381 /nfs/dbraw/zinc/41/53/81/369415381.db2.gz PPRVYYUIXGZPDO-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@H]1C[N@@H+](CCCCC#N)[C@H](C)CO1 ZINC000403968645 369415889 /nfs/dbraw/zinc/41/58/89/369415889.db2.gz OVVQKHPHPXVQKA-NEPJUHHUSA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@H]1COC(C)(C)C[N@H+]1CCCC#N ZINC000403919741 369415904 /nfs/dbraw/zinc/41/59/04/369415904.db2.gz PPRVYYUIXGZPDO-NSHDSACASA-N 1 1 210.321 2.180 20 30 BEEDMO CC[C@H]1C[N@@H+](CCCCC#N)[C@@H](C)CO1 ZINC000403968647 369416148 /nfs/dbraw/zinc/41/61/48/369416148.db2.gz OVVQKHPHPXVQKA-RYUDHWBXSA-N 1 1 210.321 2.180 20 30 BEEDMO 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247.386 2.096 20 30 BEEDMO CN1CC[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631819 /nfs/dbraw/zinc/63/18/19/385631819.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 1 1 247.386 2.096 20 30 BEEDMO C[N@@H+]1CC[C@@]2(C1)CCCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631826 /nfs/dbraw/zinc/63/18/26/385631826.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 1 1 247.386 2.096 20 30 BEEDMO C[N@H+]1CC[C@@]2(C1)CCCN([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631832 /nfs/dbraw/zinc/63/18/32/385631832.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 1 1 247.386 2.096 20 30 BEEDMO CC#CC[N@H+](C)CCOCc1ccc(OC)cc1 ZINC000645262022 385664573 /nfs/dbraw/zinc/66/45/73/385664573.db2.gz DRNJISZAPIIIRY-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO CC#CC[N@@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000451076292 385646235 /nfs/dbraw/zinc/64/62/35/385646235.db2.gz GPGLTJGIEHPFDL-DZGCQCFKSA-N 1 1 231.339 2.106 20 30 BEEDMO C[C@@H]1C[C@H](O)C[N@@H+](CC(C)(C)CCC#N)C1 ZINC000414527394 385678728 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ZINC000442792977 387841689 /nfs/dbraw/zinc/84/16/89/387841689.db2.gz AILOPUUSGWVHHE-SGMGOOAPSA-N 1 1 238.375 2.140 20 30 BEEDMO N#C[C@@H]1CC[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792506 387842446 /nfs/dbraw/zinc/84/24/46/387842446.db2.gz QHKAHXLGCAIREW-MGPQQGTHSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CC[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792506 387842451 /nfs/dbraw/zinc/84/24/51/387842451.db2.gz QHKAHXLGCAIREW-MGPQQGTHSA-N 1 1 247.386 2.285 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000442807623 387845237 /nfs/dbraw/zinc/84/52/37/387845237.db2.gz FICDPPGVHXOWKI-YRGRVCCFSA-N 1 1 238.375 2.140 20 30 BEEDMO COc1cccc2c1CC[N@@H+](CCCC#N)CC2 ZINC000193708790 387863497 /nfs/dbraw/zinc/86/34/97/387863497.db2.gz LOHIISZYBUVRLS-UHFFFAOYSA-N 1 1 244.338 2.400 20 30 BEEDMO C=C(C)CCc1noc(Cn2c[nH+]cc2C)n1 ZINC000528190890 387867157 /nfs/dbraw/zinc/86/71/57/387867157.db2.gz BQENQOHWGIQIMD-UHFFFAOYSA-N 1 1 232.287 2.132 20 30 BEEDMO C=CC(C)(C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000448708013 387888512 /nfs/dbraw/zinc/88/85/12/387888512.db2.gz MFNFGRKDVDURIS-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](OCCOC)C1 ZINC000444750179 387919216 /nfs/dbraw/zinc/91/92/16/387919216.db2.gz YSZWKHBVTZCVCM-KGLIPLIRSA-N 1 1 241.375 2.469 20 30 BEEDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528357569 387907975 /nfs/dbraw/zinc/90/79/75/387907975.db2.gz ARRBCRDFMVFOMC-OLZOCXBDSA-N 1 1 236.359 2.163 20 30 BEEDMO CC[C@@H](C[NH2+]CCC#N)Oc1ccccc1F ZINC000514669231 387911262 /nfs/dbraw/zinc/91/12/62/387911262.db2.gz WXEYKNCCIDWCFC-NSHDSACASA-N 1 1 236.290 2.486 20 30 BEEDMO C=CC(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000452775108 387914316 /nfs/dbraw/zinc/91/43/16/387914316.db2.gz NNHJGZPNSLLNRB-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO CC#CC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712541 387914821 /nfs/dbraw/zinc/91/48/21/387914821.db2.gz ZIPASEMFBBNKAN-VIFPVBQESA-N 1 1 205.223 2.284 20 30 BEEDMO C=CC[C@@H]1[N@H+](CCCO)CCCC1(C)C ZINC000444787202 387925288 /nfs/dbraw/zinc/92/52/88/387925288.db2.gz QHTIXUGVTDLNLA-LBPRGKRZSA-N 1 1 211.349 2.436 20 30 BEEDMO C[C@]1(O)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000179030148 387925974 /nfs/dbraw/zinc/92/59/74/387925974.db2.gz QFMQIMSSNOTFHB-AWEZNQCLSA-N 1 1 249.741 2.148 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000438347197 387926852 /nfs/dbraw/zinc/92/68/52/387926852.db2.gz NOFBVEBODBHPLD-GFCCVEGCSA-N 1 1 238.375 2.409 20 30 BEEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCCN1 ZINC000423165494 387948712 /nfs/dbraw/zinc/94/87/12/387948712.db2.gz YEDITGYRZIRBNC-RFGFWPKPSA-N 1 1 235.375 2.189 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@H](CO)[C@H]1C ZINC001645445344 1172667596 /nfs/dbraw/zinc/66/75/96/1172667596.db2.gz PQEZVDBGUWCHMD-ZIAGYGMSSA-N 1 1 223.360 2.273 20 30 BEEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cccs2)nn1 ZINC000424298848 387957865 /nfs/dbraw/zinc/95/78/65/387957865.db2.gz UCGIXZXDJHRBQH-JTQLQIEISA-N 1 1 248.355 2.376 20 30 BEEDMO C=CC[N@H+](CC[C@@H](C)O)Cc1ccc(OC)cc1 ZINC000438980965 387969878 /nfs/dbraw/zinc/96/98/78/387969878.db2.gz SRMDGTYWDWBGBA-CYBMUJFWSA-N 1 1 249.354 2.454 20 30 BEEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)OC ZINC000194359503 387981129 /nfs/dbraw/zinc/98/11/29/387981129.db2.gz DARCFJFWSAKAKH-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CCOCC[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000339000983 135051710 /nfs/dbraw/zinc/05/17/10/135051710.db2.gz FWKQXHXSFFICQT-MNOVXSKESA-N 1 1 215.362 2.015 20 30 BEEDMO N#CCCC[C@@H]([NH3+])c1nc(C2CCCC2)no1 ZINC000424340563 387982253 /nfs/dbraw/zinc/98/22/53/387982253.db2.gz SWPJROVLKMSBKS-SNVBAGLBSA-N 1 1 234.303 2.421 20 30 BEEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccsc2)no1 ZINC000424340404 387982536 /nfs/dbraw/zinc/98/25/36/387982536.db2.gz SHKPTVUOJRQPID-SECBINFHSA-N 1 1 248.311 2.492 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)Cc1ccns1 ZINC001645453385 1172669664 /nfs/dbraw/zinc/66/96/64/1172669664.db2.gz KMXVBXLKAGPROB-UHFFFAOYSA-N 1 1 239.388 2.083 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000253122155 135122459 /nfs/dbraw/zinc/12/24/59/135122459.db2.gz NRUCJKRVHCYTEO-GHMZBOCLSA-N 1 1 210.321 2.035 20 30 BEEDMO C=C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439781014 388020093 /nfs/dbraw/zinc/02/00/93/388020093.db2.gz IPXWNNLQHKBDCV-WCQYABFASA-N 1 1 236.359 2.084 20 30 BEEDMO N#C[C@@H]1CCC[C@@H](NC[C@H]([NH3+])c2ccccc2)C1 ZINC000423248429 388032178 /nfs/dbraw/zinc/03/21/78/388032178.db2.gz RTVZPVKQHIOONB-YUELXQCFSA-N 1 1 243.354 2.358 20 30 BEEDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289841 388035340 /nfs/dbraw/zinc/03/53/40/388035340.db2.gz JFVIIJCVCJFFHA-MRLBHPIUSA-N 1 1 249.402 2.387 20 30 BEEDMO N#Cc1csc(C[NH+]2CCCCCC2)n1 ZINC000082688480 388040937 /nfs/dbraw/zinc/04/09/37/388040937.db2.gz AWJOHSNYFLCQGO-UHFFFAOYSA-N 1 1 221.329 2.391 20 30 BEEDMO C=CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862919 388049901 /nfs/dbraw/zinc/04/99/01/388049901.db2.gz YFJMDQIASDTBDD-UHFFFAOYSA-N 1 1 206.245 2.213 20 30 BEEDMO C=CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000046862919 388049906 /nfs/dbraw/zinc/04/99/06/388049906.db2.gz YFJMDQIASDTBDD-UHFFFAOYSA-N 1 1 206.245 2.213 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+]Cc1ncn(C)n1 ZINC000449216389 388158314 /nfs/dbraw/zinc/15/83/14/388158314.db2.gz RWQFITBMKGBQQH-LLVKDONJSA-N 1 1 222.336 2.040 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(OC)n1 ZINC000449288688 388168339 /nfs/dbraw/zinc/16/83/39/388168339.db2.gz NYXSOWZUVSXSIX-LBPRGKRZSA-N 1 1 233.315 2.026 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccnc(OC)n1 ZINC000449288688 388168341 /nfs/dbraw/zinc/16/83/41/388168341.db2.gz NYXSOWZUVSXSIX-LBPRGKRZSA-N 1 1 233.315 2.026 20 30 BEEDMO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)OC ZINC000449298041 388169025 /nfs/dbraw/zinc/16/90/25/388169025.db2.gz IRRDLYVLDNFQHR-WDEREUQCSA-N 1 1 213.321 2.272 20 30 BEEDMO C=C(C)CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000456124758 388180411 /nfs/dbraw/zinc/18/04/11/388180411.db2.gz TWUDGWQHODCTNS-UHFFFAOYSA-N 1 1 249.358 2.479 20 30 BEEDMO C=CCOCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646097516 388142513 /nfs/dbraw/zinc/14/25/13/388142513.db2.gz XBNMOTJMQNHVJA-ZDUSSCGKSA-N 1 1 239.359 2.080 20 30 BEEDMO CC#CCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096889 388142539 /nfs/dbraw/zinc/14/25/39/388142539.db2.gz VGWLWTVGVCNYAJ-ZDUSSCGKSA-N 1 1 221.344 2.291 20 30 BEEDMO C[C@H](CCN(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449109415 388143460 /nfs/dbraw/zinc/14/34/60/388143460.db2.gz WMFBDCOTXQFKIG-IYXRBSQSSA-N 1 1 237.391 2.389 20 30 BEEDMO CC[C@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592080142 388150609 /nfs/dbraw/zinc/15/06/09/388150609.db2.gz LGGJTFFQIDEHOQ-JTQLQIEISA-N 1 1 203.289 2.184 20 30 BEEDMO C=CCOCC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646135585 388152136 /nfs/dbraw/zinc/15/21/36/388152136.db2.gz STHYXMGMJZQGBO-ZDUSSCGKSA-N 1 1 239.359 2.223 20 30 BEEDMO C#CC[N@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000490778784 388253739 /nfs/dbraw/zinc/25/37/39/388253739.db2.gz LDTPRDQZRYUGPH-OAHLLOKOSA-N 1 1 231.339 2.199 20 30 BEEDMO C#CC[N@@H+](CC)CCCOc1cccc(C#N)c1 ZINC000490804478 388255664 /nfs/dbraw/zinc/25/56/64/388255664.db2.gz XIGPCSKCVOWNJT-UHFFFAOYSA-N 1 1 242.322 2.282 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)no1)C1CCCC1 ZINC000490818787 388255735 /nfs/dbraw/zinc/25/57/35/388255735.db2.gz BLKPYDMPEFYDBG-UHFFFAOYSA-N 1 1 218.300 2.361 20 30 BEEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000490892634 388257881 /nfs/dbraw/zinc/25/78/81/388257881.db2.gz NOLZHSOQPSKGBT-UHFFFAOYSA-N 1 1 243.310 2.433 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc2[nH]cnc2c1 ZINC000490898363 388258749 /nfs/dbraw/zinc/25/87/49/388258749.db2.gz JYRHFUHOOLLSNP-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO C=CCOc1ccc(C[N@@H+](CC)C2COC2)cc1 ZINC000449430012 388203428 /nfs/dbraw/zinc/20/34/28/388203428.db2.gz YJQOHHZMWUXINR-UHFFFAOYSA-N 1 1 247.338 2.472 20 30 BEEDMO C=CCOc1ccc(C[N@H+](CC)C2COC2)cc1 ZINC000449430012 388203430 /nfs/dbraw/zinc/20/34/30/388203430.db2.gz YJQOHHZMWUXINR-UHFFFAOYSA-N 1 1 247.338 2.472 20 30 BEEDMO C[N@@H+](CCCSCC#N)[C@@H]1CC1(C)C ZINC000489411365 388211722 /nfs/dbraw/zinc/21/17/22/388211722.db2.gz IQGJQNHWOSKFOG-SNVBAGLBSA-N 1 1 212.362 2.364 20 30 BEEDMO C=C(CC)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000456825892 388225445 /nfs/dbraw/zinc/22/54/45/388225445.db2.gz HSPQGMDWVYMYDP-UHFFFAOYSA-N 1 1 249.358 2.479 20 30 BEEDMO CO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000451555223 388281520 /nfs/dbraw/zinc/28/15/20/388281520.db2.gz HPLKKAJHDOMDLZ-FRRDWIJNSA-N 1 1 236.359 2.426 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000491289529 388283181 /nfs/dbraw/zinc/28/31/81/388283181.db2.gz ZOEDHJJRWQSJSV-LLVKDONJSA-N 1 1 233.286 2.352 20 30 BEEDMO CC(C)OC(=O)[C@@H]([NH2+]CCCCC#N)C(C)C ZINC000451607201 388283859 /nfs/dbraw/zinc/28/38/59/388283859.db2.gz PEUBOTXNQHQDAY-LBPRGKRZSA-N 1 1 240.347 2.246 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000491361332 388288256 /nfs/dbraw/zinc/28/82/56/388288256.db2.gz KRVYVFLAGLDICZ-UHFFFAOYSA-N 1 1 249.310 2.218 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000491361332 388288257 /nfs/dbraw/zinc/28/82/57/388288257.db2.gz KRVYVFLAGLDICZ-UHFFFAOYSA-N 1 1 249.310 2.218 20 30 BEEDMO C#CC[N@@H+](CC)CCOCC1CCCC1 ZINC000491372144 388289443 /nfs/dbraw/zinc/28/94/43/388289443.db2.gz HZORGZAVZAINQB-UHFFFAOYSA-N 1 1 209.333 2.148 20 30 BEEDMO C=CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700172 388290362 /nfs/dbraw/zinc/29/03/62/388290362.db2.gz FVHWKDUWCGQRLQ-JHJVBQTASA-N 1 1 209.333 2.045 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451701802 388290744 /nfs/dbraw/zinc/29/07/44/388290744.db2.gz RKXSZICPHLKCHW-MGPQQGTHSA-N 1 1 223.360 2.436 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720126 388291362 /nfs/dbraw/zinc/29/13/62/388291362.db2.gz XTGXVNMMUVAIHH-MCIONIFRSA-N 1 1 236.359 2.163 20 30 BEEDMO C#C[C@H]([NH2+]C1CCN(CC2CC2)CC1)C(C)C ZINC000491405174 388292450 /nfs/dbraw/zinc/29/24/50/388292450.db2.gz HFXHQWXUVNYBJH-HNNXBMFYSA-N 1 1 234.387 2.108 20 30 BEEDMO C#C[C@H](NC1CC[NH+](CC2CC2)CC1)C(C)C ZINC000491405174 388292451 /nfs/dbraw/zinc/29/24/51/388292451.db2.gz HFXHQWXUVNYBJH-HNNXBMFYSA-N 1 1 234.387 2.108 20 30 BEEDMO C#CC[N@@H+](CC)CC/C=C/c1cncc(OC)c1 ZINC000491420385 388293388 /nfs/dbraw/zinc/29/33/88/388293388.db2.gz XPUJQTPASPADJS-SOFGYWHQSA-N 1 1 244.338 2.449 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1oc(CCC)nc1C ZINC000491442136 388295133 /nfs/dbraw/zinc/29/51/33/388295133.db2.gz ZXCKSGJDTPIJDS-SNVBAGLBSA-N 1 1 220.316 2.389 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1oc(CCC)nc1C ZINC000491442136 388295136 /nfs/dbraw/zinc/29/51/36/388295136.db2.gz ZXCKSGJDTPIJDS-SNVBAGLBSA-N 1 1 220.316 2.389 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780588 388295524 /nfs/dbraw/zinc/29/55/24/388295524.db2.gz NTRXGDPOUACLPX-QWHCGFSZSA-N 1 1 243.391 2.042 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1sc(C)nc1C ZINC000491454169 388295904 /nfs/dbraw/zinc/29/59/04/388295904.db2.gz WLKUYKTXCFOEHS-QMMMGPOBSA-N 1 1 208.330 2.213 20 30 BEEDMO C#CC[N@H+](C[C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000491466002 388296553 /nfs/dbraw/zinc/29/65/53/388296553.db2.gz YRDBAMBVFHQUAF-DZGCQCFKSA-N 1 1 235.371 2.415 20 30 BEEDMO C#CC[N@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000491475710 388297521 /nfs/dbraw/zinc/29/75/21/388297521.db2.gz ZFQPLSMREBGJJI-JSGCOSHPSA-N 1 1 217.312 2.064 20 30 BEEDMO CO[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854781 388301019 /nfs/dbraw/zinc/30/10/19/388301019.db2.gz RJDKKANWTWXJGP-RYUDHWBXSA-N 1 1 234.343 2.180 20 30 BEEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854779 388301509 /nfs/dbraw/zinc/30/15/09/388301509.db2.gz RJDKKANWTWXJGP-NEPJUHHUSA-N 1 1 234.343 2.180 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCC(C)(C)CC(=O)OCC ZINC000491542835 388302366 /nfs/dbraw/zinc/30/23/66/388302366.db2.gz CMQKLPZQNCFYHR-GFCCVEGCSA-N 1 1 239.359 2.309 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@@H]1CCO[C@H](CC)C1 ZINC000491546719 388303178 /nfs/dbraw/zinc/30/31/78/388303178.db2.gz WZAJGXWNACEAMA-YNEHKIRRSA-N 1 1 209.333 2.145 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000491553742 388303432 /nfs/dbraw/zinc/30/34/32/388303432.db2.gz CGYMHWCFBKDAQL-LLVKDONJSA-N 1 1 228.295 2.020 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1F ZINC000491565800 388303927 /nfs/dbraw/zinc/30/39/27/388303927.db2.gz CJBIGVNDWJXGME-SNVBAGLBSA-N 1 1 216.259 2.151 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000491565800 388303928 /nfs/dbraw/zinc/30/39/28/388303928.db2.gz CJBIGVNDWJXGME-SNVBAGLBSA-N 1 1 216.259 2.151 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000491634888 388306984 /nfs/dbraw/zinc/30/69/84/388306984.db2.gz SEYONQKJASUGPE-UHFFFAOYSA-N 1 1 225.295 2.161 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCOc1ccccc1OC ZINC000491656562 388308667 /nfs/dbraw/zinc/30/86/67/388308667.db2.gz TULMNQLQLCEVMN-LBPRGKRZSA-N 1 1 233.311 2.028 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CC1 ZINC000491668012 388309667 /nfs/dbraw/zinc/30/96/67/388309667.db2.gz NSVRBRZNKNIBKN-UHFFFAOYSA-N 1 1 241.294 2.267 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000491672363 388309743 /nfs/dbraw/zinc/30/97/43/388309743.db2.gz YJWOOFDIZYHLHR-LBPRGKRZSA-N 1 1 247.338 2.466 20 30 BEEDMO C#CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000491697674 388312057 /nfs/dbraw/zinc/31/20/57/388312057.db2.gz QFMZTTMJKWKRGE-UHFFFAOYSA-N 1 1 231.343 2.305 20 30 BEEDMO C#CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C1CC1 ZINC000491697674 388312058 /nfs/dbraw/zinc/31/20/58/388312058.db2.gz QFMZTTMJKWKRGE-UHFFFAOYSA-N 1 1 231.343 2.305 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000491698498 388312284 /nfs/dbraw/zinc/31/22/84/388312284.db2.gz CQCDXSFNUOTUHF-GFCCVEGCSA-N 1 1 217.312 2.457 20 30 BEEDMO C#CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700634 388312640 /nfs/dbraw/zinc/31/26/40/388312640.db2.gz GMOQNAPCRMHEQX-CZUORRHYSA-N 1 1 243.350 2.249 20 30 BEEDMO C#CC[N@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000491702586 388312875 /nfs/dbraw/zinc/31/28/75/388312875.db2.gz RKZXISUINJQXPM-AWEZNQCLSA-N 1 1 221.344 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C=CC[N@H+](C)Cc1cn2cccc(C)c2n1 ZINC000681695826 487842200 /nfs/dbraw/zinc/84/22/00/487842200.db2.gz LJHMDQFRNUNVHR-UHFFFAOYSA-N 1 1 215.300 2.261 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000851966705 588648776 /nfs/dbraw/zinc/64/87/76/588648776.db2.gz RGNUETDOJYQWJP-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[N@@H+](C)Cc1nn(C)c2ccccc21 ZINC000681758196 487856707 /nfs/dbraw/zinc/85/67/07/487856707.db2.gz IMKCFVOKTCLQKQ-UHFFFAOYSA-N 1 1 215.300 2.191 20 30 BEEDMO C=CC[N@H+](C)Cc1nn(C)c2ccccc21 ZINC000681758196 487856711 /nfs/dbraw/zinc/85/67/11/487856711.db2.gz IMKCFVOKTCLQKQ-UHFFFAOYSA-N 1 1 215.300 2.191 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000306441242 643324879 /nfs/dbraw/zinc/32/48/79/643324879.db2.gz IXHIXHYEADTVGW-JTQLQIEISA-N 1 1 203.713 2.240 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000677132581 487888634 /nfs/dbraw/zinc/88/86/34/487888634.db2.gz GSDQBNVPEULVNH-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428704660 487908182 /nfs/dbraw/zinc/90/81/82/487908182.db2.gz AABHFCKIASRMBP-SDDRHHMPSA-N 1 1 245.313 2.291 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942851 487950800 /nfs/dbraw/zinc/95/08/00/487950800.db2.gz RIDVLIBGOWKXEQ-CABCVRRESA-N 1 1 249.329 2.494 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000669942851 487950804 /nfs/dbraw/zinc/95/08/04/487950804.db2.gz RIDVLIBGOWKXEQ-CABCVRRESA-N 1 1 249.329 2.494 20 30 BEEDMO C=CCCCC[N@H+](CCO)Cc1cccnc1 ZINC000562533341 323023150 /nfs/dbraw/zinc/02/31/50/323023150.db2.gz LVIMTXOQOTWYQX-UHFFFAOYSA-N 1 1 234.343 2.232 20 30 BEEDMO C=CCCCC[N@@H+]1CCN(CC)C[C@@H]1C ZINC000562538835 323023788 /nfs/dbraw/zinc/02/37/88/323023788.db2.gz HLDXGTRNVNIPQB-ZDUSSCGKSA-N 1 1 210.365 2.369 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000569853193 323042793 /nfs/dbraw/zinc/04/27/93/323042793.db2.gz YNTHTBAQUJVEOL-UHFFFAOYSA-N 1 1 231.255 2.061 20 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Cc1nc(C[NH2+]Cc2cccc(C#N)c2)[nH]c1C ZINC000563440593 323126032 /nfs/dbraw/zinc/12/60/32/323126032.db2.gz MUGABSPOPWLFNX-UHFFFAOYSA-N 1 1 240.310 2.188 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)nc1 ZINC000571222167 323138376 /nfs/dbraw/zinc/13/83/76/323138376.db2.gz CPCOJVJEFVIYOZ-ZDUSSCGKSA-N 1 1 227.311 2.185 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000080643115 323175864 /nfs/dbraw/zinc/17/58/64/323175864.db2.gz VPZKSFKZHWNWMP-STQMWFEESA-N 1 1 238.375 2.045 20 30 BEEDMO C=CCC[C@@H](CO)Nc1[nH]c2ccccc2[nH+]1 ZINC000320434648 323177678 /nfs/dbraw/zinc/17/76/78/323177678.db2.gz HOYPXFYDVUVNJP-JTQLQIEISA-N 1 1 231.299 2.302 20 30 BEEDMO C=CCCOCC[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000536003240 323195110 /nfs/dbraw/zinc/19/51/10/323195110.db2.gz OJTJLVZYGGEKRD-UHFFFAOYSA-N 1 1 245.326 2.245 20 30 BEEDMO C[NH+](C)CC(C)(C)NCc1ccc(CC#N)cc1 ZINC000398957892 323195469 /nfs/dbraw/zinc/19/54/69/323195469.db2.gz JVSIXAVJILYXKL-UHFFFAOYSA-N 1 1 245.370 2.182 20 30 BEEDMO Cc1cn(CCCn2cc[nH+]c2C)cc1C#N ZINC000536700282 323201266 /nfs/dbraw/zinc/20/12/66/323201266.db2.gz QRSKQPUAHCBIMI-UHFFFAOYSA-N 1 1 228.299 2.263 20 30 BEEDMO C=CC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000121273883 324007509 /nfs/dbraw/zinc/00/75/09/324007509.db2.gz IWLVQVZSPWHCOY-JHJVBQTASA-N 1 1 238.375 2.045 20 30 BEEDMO C=CC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000121273883 324007513 /nfs/dbraw/zinc/00/75/13/324007513.db2.gz IWLVQVZSPWHCOY-JHJVBQTASA-N 1 1 238.375 2.045 20 30 BEEDMO C=CCCn1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)nn1 ZINC000653558504 487965138 /nfs/dbraw/zinc/96/51/38/487965138.db2.gz GCJYZIVCOGSRAW-RYUDHWBXSA-N 1 1 234.347 2.085 20 30 BEEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@H]2C)nn1 ZINC000653558505 487965231 /nfs/dbraw/zinc/96/52/31/487965231.db2.gz GCJYZIVCOGSRAW-VXGBXAGGSA-N 1 1 234.347 2.085 20 30 BEEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000132021510 325195603 /nfs/dbraw/zinc/19/56/03/325195603.db2.gz GLDKDINTBYNPIV-CQSZACIVSA-N 1 1 247.338 2.472 20 30 BEEDMO C[C@]1(CO)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000545397129 325219241 /nfs/dbraw/zinc/21/92/41/325219241.db2.gz HIXYTQVCLYXBBL-CQSZACIVSA-N 1 1 248.301 2.044 20 30 BEEDMO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000546103199 325265401 /nfs/dbraw/zinc/26/54/01/325265401.db2.gz IDTVXRAGDNKUKV-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000546103199 325265404 /nfs/dbraw/zinc/26/54/04/325265404.db2.gz IDTVXRAGDNKUKV-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546581593 325288520 /nfs/dbraw/zinc/28/85/20/325288520.db2.gz FRXSYUFQAHCSBU-NSHDSACASA-N 1 1 228.299 2.345 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000546581593 325288521 /nfs/dbraw/zinc/28/85/21/325288521.db2.gz FRXSYUFQAHCSBU-NSHDSACASA-N 1 1 228.299 2.345 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)C1CC1 ZINC000075609867 325303171 /nfs/dbraw/zinc/30/31/71/325303171.db2.gz NKUXORKGAGFFRS-UHFFFAOYSA-N 1 1 236.359 2.060 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000134930295 325383426 /nfs/dbraw/zinc/38/34/26/325383426.db2.gz GRCNKTCWAAULOI-CQSZACIVSA-N 1 1 238.375 2.141 20 30 BEEDMO OC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135095049 325392843 /nfs/dbraw/zinc/39/28/43/325392843.db2.gz PETKNVAMAPLHSF-GFCCVEGCSA-N 1 1 249.741 2.006 20 30 BEEDMO OC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135095049 325392845 /nfs/dbraw/zinc/39/28/45/325392845.db2.gz PETKNVAMAPLHSF-GFCCVEGCSA-N 1 1 249.741 2.006 20 30 BEEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000135123265 325395917 /nfs/dbraw/zinc/39/59/17/325395917.db2.gz ZULAOKHZWWOXJH-UHFFFAOYSA-N 1 1 242.278 2.450 20 30 BEEDMO COc1ccc(C[NH2+]CCC#N)c(C)c1 ZINC000564852728 325817007 /nfs/dbraw/zinc/81/70/07/325817007.db2.gz OOEKCHRYWUOUFA-UHFFFAOYSA-N 1 1 204.273 2.007 20 30 BEEDMO CC(C)CC[NH+]1CCC(CNCCC#N)CC1 ZINC000566112117 325997104 /nfs/dbraw/zinc/99/71/04/325997104.db2.gz KBBKFWOCUNDLHA-UHFFFAOYSA-N 1 1 237.391 2.248 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)C ZINC000155134299 326186394 /nfs/dbraw/zinc/18/63/94/326186394.db2.gz AKICGIHSVIJTLJ-NSHDSACASA-N 1 1 226.364 2.188 20 30 BEEDMO C=CCCC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000567468278 326198776 /nfs/dbraw/zinc/19/87/76/326198776.db2.gz GZUHUCGASKQHQK-ZDUSSCGKSA-N 1 1 209.333 2.454 20 30 BEEDMO C[C@H](C[NH2+]CCC#N)Oc1cccc(F)c1 ZINC000567691135 326246108 /nfs/dbraw/zinc/24/61/08/326246108.db2.gz PZTWPPFGDBXMKC-SNVBAGLBSA-N 1 1 222.263 2.096 20 30 BEEDMO Cc1nnc([C@H](C)[NH+]2CCC(CCC#N)CC2)o1 ZINC000567791542 326259289 /nfs/dbraw/zinc/25/92/89/326259289.db2.gz VPYULZBCPMLIHJ-JTQLQIEISA-N 1 1 248.330 2.455 20 30 BEEDMO Cc1ccc(NCc2ccc(C#N)o2)[nH+]c1 ZINC000157442815 326275856 /nfs/dbraw/zinc/27/58/56/326275856.db2.gz QREQDLMYDGPIQR-UHFFFAOYSA-N 1 1 213.240 2.467 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000158993702 326347587 /nfs/dbraw/zinc/34/75/87/326347587.db2.gz HLIBMVKHGFEIRV-UHFFFAOYSA-N 1 1 249.358 2.115 20 30 BEEDMO Cc1ccc(O[C@H](C)C[NH2+]CCC#N)cc1 ZINC000568501826 326360175 /nfs/dbraw/zinc/36/01/75/326360175.db2.gz FIYYMORTWLDTEN-GFCCVEGCSA-N 1 1 218.300 2.266 20 30 BEEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000568647797 326370489 /nfs/dbraw/zinc/37/04/89/326370489.db2.gz RQJGAWGXQODQAC-UHFFFAOYSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CCCCC[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000568715038 326372949 /nfs/dbraw/zinc/37/29/49/326372949.db2.gz BSSOCBKUNOJIEF-CYBMUJFWSA-N 1 1 209.333 2.454 20 30 BEEDMO C=C1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1 ZINC000568947793 326383232 /nfs/dbraw/zinc/38/32/32/326383232.db2.gz JCQPVURTMDOHAA-UHFFFAOYSA-N 1 1 246.310 2.020 20 30 BEEDMO CCO[C@@H](C[NH2+]CCC#N)c1ccccc1 ZINC000569214898 326395489 /nfs/dbraw/zinc/39/54/89/326395489.db2.gz XIFFLYLBRJSVMZ-ZDUSSCGKSA-N 1 1 218.300 2.267 20 30 BEEDMO N#CCCC1CC[NH+](CCN2CCCCC2)CC1 ZINC000569239236 326397118 /nfs/dbraw/zinc/39/71/18/326397118.db2.gz XQKHHTHHNXSZOA-UHFFFAOYSA-N 1 1 249.402 2.488 20 30 BEEDMO C=CCCCC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000569307659 326399545 /nfs/dbraw/zinc/39/95/45/326399545.db2.gz GVWQHLVOCVXGJS-AWEZNQCLSA-N 1 1 241.375 2.469 20 30 BEEDMO COCC#CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000677132933 487979231 /nfs/dbraw/zinc/97/92/31/487979231.db2.gz ZZHINEWOSRTPIL-UHFFFAOYSA-N 1 1 247.313 2.440 20 30 BEEDMO COCC#CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000677132933 487979235 /nfs/dbraw/zinc/97/92/35/487979235.db2.gz ZZHINEWOSRTPIL-UHFFFAOYSA-N 1 1 247.313 2.440 20 30 BEEDMO COCC#CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000677133155 487980322 /nfs/dbraw/zinc/98/03/22/487980322.db2.gz KHWMHZOIQRXXJS-NSHDSACASA-N 1 1 223.341 2.391 20 30 BEEDMO C=CCOCC[N@H+]1CCc2cc(OC)ccc2C1 ZINC000661742704 488003505 /nfs/dbraw/zinc/00/35/05/488003505.db2.gz XLTGYASDVLOXBG-UHFFFAOYSA-N 1 1 247.338 2.256 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000490934453 488028007 /nfs/dbraw/zinc/02/80/07/488028007.db2.gz IDTSCHRFRJPGBA-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO 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585333208 /nfs/dbraw/zinc/33/32/08/585333208.db2.gz AOCKVYNALOAMMF-CABCVRRESA-N 1 1 229.323 2.208 20 30 BEEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000839609343 585333220 /nfs/dbraw/zinc/33/32/20/585333220.db2.gz LDHYSGZUTWFZOM-UONOGXRCSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000839609343 585333221 /nfs/dbraw/zinc/33/32/21/585333221.db2.gz LDHYSGZUTWFZOM-UONOGXRCSA-N 1 1 235.375 2.096 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000839668038 585334626 /nfs/dbraw/zinc/33/46/26/585334626.db2.gz WGWXXDFVETZKQU-NSHDSACASA-N 1 1 231.723 2.014 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000839668038 585334627 /nfs/dbraw/zinc/33/46/27/585334627.db2.gz WGWXXDFVETZKQU-NSHDSACASA-N 1 1 231.723 2.014 20 30 BEEDMO CON=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000757585647 585342500 /nfs/dbraw/zinc/34/25/00/585342500.db2.gz GQRJLQXYFLSCKF-NSHDSACASA-N 1 1 218.300 2.283 20 30 BEEDMO C[N@H+]1CCCC(N=Nc2cccc(C#N)c2)CC1 ZINC000758097645 585348843 /nfs/dbraw/zinc/34/88/43/585348843.db2.gz GDTFZSGSMWZYRF-UHFFFAOYSA-N 1 1 242.326 2.442 20 30 BEEDMO C[N@H+]1CCCC(=NNCc2ccccc2)CC1 ZINC000758096441 585348996 /nfs/dbraw/zinc/34/89/96/585348996.db2.gz UEUCVUZLAOVXDJ-UHFFFAOYSA-N 1 1 231.343 2.248 20 30 BEEDMO C[N@H+]1CCCC(N=Nc2ccc(F)cn2)CC1 ZINC000758111682 585349226 /nfs/dbraw/zinc/34/92/26/585349226.db2.gz YLJCBNJIDFXQNT-UHFFFAOYSA-N 1 1 236.294 2.104 20 30 BEEDMO Cc1ccc(N=NC2CCC[N@H+](C)CC2)nc1 ZINC000758121204 585349422 /nfs/dbraw/zinc/34/94/22/585349422.db2.gz VHVLPXUSBFGMGZ-UHFFFAOYSA-N 1 1 232.331 2.274 20 30 BEEDMO CCN(CC)c1ncc(C=[NH+]NC2CC2)s1 ZINC000758129611 585349577 /nfs/dbraw/zinc/34/95/77/585349577.db2.gz OLKWDGQWDOYXGD-UHFFFAOYSA-N 1 1 238.360 2.075 20 30 BEEDMO C#CCCCCNc1nc(N2CCCC2)cc[nH+]1 ZINC000758474818 585356258 /nfs/dbraw/zinc/35/62/58/585356258.db2.gz ZUDSJTDVXXXQEN-UHFFFAOYSA-N 1 1 244.342 2.292 20 30 BEEDMO CO[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000759194071 585365225 /nfs/dbraw/zinc/36/52/25/585365225.db2.gz ZHDFODNDAIZPAW-UHFFFAOYSA-N 1 1 210.252 2.262 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1ccc(OC)cc1 ZINC000760818486 585398097 /nfs/dbraw/zinc/39/80/97/585398097.db2.gz FGMQWGVYVXEKJO-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C#CCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000760843017 585399360 /nfs/dbraw/zinc/39/93/60/585399360.db2.gz HKNLBHMCOMZHEX-CYBMUJFWSA-N 1 1 200.285 2.242 20 30 BEEDMO C#CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000760887547 585401330 /nfs/dbraw/zinc/40/13/30/585401330.db2.gz RKZGDIXOXLYUMD-INIZCTEOSA-N 1 1 243.350 2.283 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@H](C)C1 ZINC000761080516 585406804 /nfs/dbraw/zinc/40/68/04/585406804.db2.gz WQYZHKBGPCCHRP-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761080516 585406805 /nfs/dbraw/zinc/40/68/05/585406805.db2.gz WQYZHKBGPCCHRP-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@H](C)C1 ZINC000761080516 585406806 /nfs/dbraw/zinc/40/68/06/585406806.db2.gz WQYZHKBGPCCHRP-OLZOCXBDSA-N 1 1 243.354 2.255 20 30 BEEDMO C#CCOCC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000761107371 585409660 /nfs/dbraw/zinc/40/96/60/585409660.db2.gz DVWWJMPEPNNYJE-AWEZNQCLSA-N 1 1 231.339 2.372 20 30 BEEDMO C=CCCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000805221859 585413395 /nfs/dbraw/zinc/41/33/95/585413395.db2.gz WMGHDTWBHUDGRC-ZDUSSCGKSA-N 1 1 238.375 2.191 20 30 BEEDMO COc1cccc(N=NC2C[C@H](C)[N@@H+](C)C2)c1 ZINC000761804522 585418822 /nfs/dbraw/zinc/41/88/22/585418822.db2.gz POHRXQRSEFDMDM-JTQLQIEISA-N 1 1 233.315 2.187 20 30 BEEDMO C[C@H]1CC(N=Nc2cccc(F)c2)C[N@H+]1C ZINC000761811812 585419197 /nfs/dbraw/zinc/41/91/97/585419197.db2.gz IPSLFXKDXAREGY-VIFPVBQESA-N 1 1 221.279 2.318 20 30 BEEDMO C[C@H]1CC(N=Nc2cccc(F)c2F)C[N@H+]1C ZINC000761813404 585419212 /nfs/dbraw/zinc/41/92/12/585419212.db2.gz SQZOIMMCZRMFIT-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO C[C@@H]1CC(N=Nc2ncccc2Cl)C[N@H+]1C ZINC000761813599 585419261 /nfs/dbraw/zinc/41/92/61/585419261.db2.gz ZLGCIXAMNKMGSR-MRVPVSSYSA-N 1 1 238.722 2.227 20 30 BEEDMO C=CC[N@H+](CN1C[C@@H](C2CC2)CC1=O)C(C)C ZINC000762487658 585433103 /nfs/dbraw/zinc/43/31/03/585433103.db2.gz KNFUTQPKXOZDNV-ZDUSSCGKSA-N 1 1 236.359 2.099 20 30 BEEDMO C=CC[N@@H+](CN1C[C@@H](C2CC2)CC1=O)C(C)C ZINC000762487658 585433104 /nfs/dbraw/zinc/43/31/04/585433104.db2.gz KNFUTQPKXOZDNV-ZDUSSCGKSA-N 1 1 236.359 2.099 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000763382632 585447246 /nfs/dbraw/zinc/44/72/46/585447246.db2.gz FFJQMSDAMCDTLM-UHFFFAOYSA-N 1 1 245.322 2.307 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000763804386 585454955 /nfs/dbraw/zinc/45/49/55/585454955.db2.gz QSGWTNSJWBFOAE-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C=C(Cl)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000764536133 585467617 /nfs/dbraw/zinc/46/76/17/585467617.db2.gz FIWHFRVHCOMJHD-NSHDSACASA-N 1 1 244.766 2.120 20 30 BEEDMO Cc1cccc(CN=NC2C[N@H+](C)C[C@@H]2C)c1 ZINC000764715571 585471769 /nfs/dbraw/zinc/47/17/69/585471769.db2.gz MLTHVPPTOVCITK-LBPRGKRZSA-N 1 1 231.343 2.022 20 30 BEEDMO C[C@@H]1CC(=NOCC(F)(F)F)C[N@H+]1C1CC1 ZINC000764847236 585475866 /nfs/dbraw/zinc/47/58/66/585475866.db2.gz VSXACNQGBFHFSS-SSDOTTSWSA-N 1 1 236.237 2.178 20 30 BEEDMO c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765543002 585489341 /nfs/dbraw/zinc/48/93/41/585489341.db2.gz KLWMCFVPPYFJFT-ZDUSSCGKSA-N 1 1 215.300 2.323 20 30 BEEDMO Fc1cccc(CNN=C2CC[N@H+]3CCC[C@H]23)c1 ZINC000765573861 585489854 /nfs/dbraw/zinc/48/98/54/585489854.db2.gz VHXKXKSTGCHRPQ-CQSZACIVSA-N 1 1 247.317 2.139 20 30 BEEDMO N#Cc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765567127 585489969 /nfs/dbraw/zinc/48/99/69/585489969.db2.gz ZZGSPINZCKTRLK-CQSZACIVSA-N 1 1 240.310 2.194 20 30 BEEDMO Cc1cccc(CNN=C2CC[N@H+]3CCC[C@H]23)c1 ZINC000765585270 585490490 /nfs/dbraw/zinc/49/04/90/585490490.db2.gz YOYXNMVTKJMVCE-OAHLLOKOSA-N 1 1 243.354 2.309 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000766665955 585504729 /nfs/dbraw/zinc/50/47/29/585504729.db2.gz LFTQQYUYFIZARS-LLVKDONJSA-N 1 1 240.306 2.394 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000766666579 585505047 /nfs/dbraw/zinc/50/50/47/585505047.db2.gz WQEKUPCZWWNLAI-NSHDSACASA-N 1 1 233.311 2.163 20 30 BEEDMO C#CCCC[N@H+](CCOC)C1CCCC1 ZINC000766894533 585509461 /nfs/dbraw/zinc/50/94/61/585509461.db2.gz DKTHFBBZCGKIEH-UHFFFAOYSA-N 1 1 209.333 2.291 20 30 BEEDMO C#CCCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC000766896624 585509806 /nfs/dbraw/zinc/50/98/06/585509806.db2.gz VOHTYNSBDYWHKH-UHFFFAOYSA-N 1 1 245.322 2.075 20 30 BEEDMO C#CCCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC000766896624 585509807 /nfs/dbraw/zinc/50/98/07/585509807.db2.gz VOHTYNSBDYWHKH-UHFFFAOYSA-N 1 1 245.322 2.075 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000766908901 585511096 /nfs/dbraw/zinc/51/10/96/585511096.db2.gz DHWFJWMVGPKBRO-CYBMUJFWSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000766906041 585511168 /nfs/dbraw/zinc/51/11/68/585511168.db2.gz MVKZHWDYXCGLPV-GFCCVEGCSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000766906041 585511169 /nfs/dbraw/zinc/51/11/69/585511169.db2.gz MVKZHWDYXCGLPV-GFCCVEGCSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000766920944 585511905 /nfs/dbraw/zinc/51/19/05/585511905.db2.gz SEMMUTGYFSVDEU-KBPBESRZSA-N 1 1 222.376 2.062 20 30 BEEDMO C#CCCC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000766920944 585511906 /nfs/dbraw/zinc/51/19/06/585511906.db2.gz SEMMUTGYFSVDEU-KBPBESRZSA-N 1 1 222.376 2.062 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)OCCn1cc[nH+]c1C ZINC000767703144 585524966 /nfs/dbraw/zinc/52/49/66/585524966.db2.gz JZOTZLJEVNVCKG-NSHDSACASA-N 1 1 236.315 2.337 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)CC1=CCCOC1 ZINC000768153817 585533194 /nfs/dbraw/zinc/53/31/94/585533194.db2.gz KXBLIHHZTXSQNJ-UHFFFAOYSA-N 1 1 222.332 2.205 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cc(C)ccc1O ZINC000769452345 585557042 /nfs/dbraw/zinc/55/70/42/585557042.db2.gz XDTYJHOXHYGQQQ-UHFFFAOYSA-N 1 1 227.307 2.159 20 30 BEEDMO C=CCC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769802787 585563872 /nfs/dbraw/zinc/56/38/72/585563872.db2.gz VIKHCGQHDUUHNQ-UHFFFAOYSA-N 1 1 240.347 2.114 20 30 BEEDMO COc1cc(C=NNc2cc[nH+]cc2)ccc1C ZINC000773080720 585630817 /nfs/dbraw/zinc/63/08/17/585630817.db2.gz ZKRAAWKWCJDICE-UHFFFAOYSA-N 1 1 241.294 2.267 20 30 BEEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000773427297 585636586 /nfs/dbraw/zinc/63/65/86/585636586.db2.gz JWJFZCHPXXMQMF-GFCCVEGCSA-N 1 1 225.332 2.180 20 30 BEEDMO CC(C)C1(O)C[NH+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000773891286 585645975 /nfs/dbraw/zinc/64/59/75/585645975.db2.gz SVDZTQYJSZTILL-LBPRGKRZSA-N 1 1 244.338 2.322 20 30 BEEDMO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000774388987 585657261 /nfs/dbraw/zinc/65/72/61/585657261.db2.gz BNPWGSIISKOIKT-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000774388987 585657262 /nfs/dbraw/zinc/65/72/62/585657262.db2.gz BNPWGSIISKOIKT-NEPJUHHUSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[N@@H+](Cc1cnn(C=C)c1)C(C)C ZINC000774840977 585667300 /nfs/dbraw/zinc/66/73/00/585667300.db2.gz VIGCEGKDSWYIKZ-UHFFFAOYSA-N 1 1 205.305 2.380 20 30 BEEDMO CC(C)[N@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000774840678 585667326 /nfs/dbraw/zinc/66/73/26/585667326.db2.gz URQMHRRBDBCJFS-GFCCVEGCSA-N 1 1 208.305 2.303 20 30 BEEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000774840678 585667327 /nfs/dbraw/zinc/66/73/27/585667327.db2.gz URQMHRRBDBCJFS-GFCCVEGCSA-N 1 1 208.305 2.303 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc(C)c(OC)c1 ZINC000774904629 585669066 /nfs/dbraw/zinc/66/90/66/585669066.db2.gz HWYIMSRIZJYKHP-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C)c(OC)c1 ZINC000774904629 585669067 /nfs/dbraw/zinc/66/90/67/585669067.db2.gz HWYIMSRIZJYKHP-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000775183411 585673072 /nfs/dbraw/zinc/67/30/72/585673072.db2.gz LKXXNOPILQLCRV-SECBINFHSA-N 1 1 223.703 2.499 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(O)cccc1Cl ZINC000775183411 585673073 /nfs/dbraw/zinc/67/30/73/585673073.db2.gz LKXXNOPILQLCRV-SECBINFHSA-N 1 1 223.703 2.499 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)[C@@H]1CCCO1 ZINC000775572016 585680267 /nfs/dbraw/zinc/68/02/67/585680267.db2.gz NVFLVKOXQACSEW-OSMZGAPFSA-N 1 1 248.301 2.052 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)[C@@H]1CCCO1 ZINC000775572015 585680461 /nfs/dbraw/zinc/68/04/61/585680461.db2.gz NVFLVKOXQACSEW-JKOKRWQUSA-N 1 1 248.301 2.052 20 30 BEEDMO C=CC[N@H+](Cc1cn(C)nc1CC)C(C)C ZINC000775656656 585682467 /nfs/dbraw/zinc/68/24/67/585682467.db2.gz LVIJVORKROTZFF-UHFFFAOYSA-N 1 1 221.348 2.379 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000775663225 585682876 /nfs/dbraw/zinc/68/28/76/585682876.db2.gz RUPKPBRCJUTWJC-CYBMUJFWSA-N 1 1 239.359 2.428 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cccc(C)c1O ZINC000775709679 585683388 /nfs/dbraw/zinc/68/33/88/585683388.db2.gz WYEXKPFSMSVXKG-UHFFFAOYSA-N 1 1 227.307 2.159 20 30 BEEDMO C#CCCC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000776028089 585689445 /nfs/dbraw/zinc/68/94/45/585689445.db2.gz MCCJFPMMGZAXAR-GFCCVEGCSA-N 1 1 239.359 2.356 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC[C@H](C)C1 ZINC000776518304 585699687 /nfs/dbraw/zinc/69/96/87/585699687.db2.gz UDGJFRHBXBGELK-MELADBBJSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@]1(C)CCCO ZINC000776599160 585702352 /nfs/dbraw/zinc/70/23/52/585702352.db2.gz VPQMYPBUOYNHJK-CYBMUJFWSA-N 1 1 209.333 2.027 20 30 BEEDMO C=CCCCCC[N@H+](C)CC1OCCO1 ZINC000777589801 585716293 /nfs/dbraw/zinc/71/62/93/585716293.db2.gz UMMKODPSRUUGBK-UHFFFAOYSA-N 1 1 213.321 2.038 20 30 BEEDMO CCCCCCC[N@@H+](C)CCNC(=O)N(C)C ZINC000777717694 585719007 /nfs/dbraw/zinc/71/90/07/585719007.db2.gz ZVDICJZEGCHXRG-UHFFFAOYSA-N 1 1 243.395 2.160 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cc(Cl)ccn1 ZINC000777905428 585723412 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/nfs/dbraw/zinc/76/65/65/585766565.db2.gz SPKYXYWVZMNDQL-UHFFFAOYSA-N 1 1 232.312 2.105 20 30 BEEDMO C#CCCCCCC(=O)OCCn1cc[nH+]c1C ZINC000780254554 585775138 /nfs/dbraw/zinc/77/51/38/585775138.db2.gz CAJLWILULQFKJH-UHFFFAOYSA-N 1 1 248.326 2.318 20 30 BEEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cn2)c(C)o1 ZINC000780556177 585781159 /nfs/dbraw/zinc/78/11/59/585781159.db2.gz MXCXPHRMNPNICS-UHFFFAOYSA-N 1 1 241.294 2.453 20 30 BEEDMO C[C@H]1CC(N=Nc2ccnc(F)c2)CC[N@H+]1C ZINC000781127296 585790958 /nfs/dbraw/zinc/79/09/58/585790958.db2.gz LVMVLQQVACNBEL-VIFPVBQESA-N 1 1 236.294 2.103 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781352693 585795182 /nfs/dbraw/zinc/79/51/82/585795182.db2.gz GDAIKUYESPDOCF-SNVBAGLBSA-N 1 1 217.259 2.103 20 30 BEEDMO CCc1ccccc1N[NH+]=Cc1cnc(N)nc1 ZINC000781590367 585799967 /nfs/dbraw/zinc/79/99/67/585799967.db2.gz YXPOMSLMLSTYFK-UHFFFAOYSA-N 1 1 241.298 2.067 20 30 BEEDMO C[C@@H]1CC(=NN[C@H]2CCCC2(C)C)C[N@@H+]1C ZINC000782288889 585814140 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ZINC000832718227 587679220 /nfs/dbraw/zinc/67/92/20/587679220.db2.gz CTEPGOVAGKUWQP-GFCCVEGCSA-N 1 1 238.375 2.047 20 30 BEEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000834383501 587753862 /nfs/dbraw/zinc/75/38/62/587753862.db2.gz UFZZXIJGMATRBH-LSDHHAIUSA-N 1 1 242.322 2.076 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000834916294 587770861 /nfs/dbraw/zinc/77/08/61/587770861.db2.gz YKHHZDWXTRQULQ-GXTWGEPZSA-N 1 1 237.391 2.436 20 30 BEEDMO CCCC(N=NC1=[NH+]CCN1)C1CCCCC1 ZINC000841658425 587968859 /nfs/dbraw/zinc/96/88/59/587968859.db2.gz AEEOAGQJKSANPI-UHFFFAOYSA-N 1 1 236.363 2.272 20 30 BEEDMO C1CCC2(C1)CCCCC2N=NC1=[NH+]CCN1 ZINC000841660550 587969621 /nfs/dbraw/zinc/96/96/21/587969621.db2.gz RERARUGEDPRILO-UHFFFAOYSA-N 1 1 234.347 2.026 20 30 BEEDMO CCCCC(N)=[NH+]OCc1nc(C#N)cs1 ZINC000842024928 587989825 /nfs/dbraw/zinc/98/98/25/587989825.db2.gz KDMQSPDCLZZRRQ-UHFFFAOYSA-N 1 1 238.316 2.203 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000843423917 588107734 /nfs/dbraw/zinc/10/77/34/588107734.db2.gz LNPPZBCXERZNLP-ZDUSSCGKSA-N 1 1 216.328 2.260 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000843423877 588107744 /nfs/dbraw/zinc/10/77/44/588107744.db2.gz LGLGSOFYZZXFEF-ZDUSSCGKSA-N 1 1 216.328 2.260 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)nc2)C1 ZINC000843422580 588107985 /nfs/dbraw/zinc/10/79/85/588107985.db2.gz GQXQWOREWIRXDC-GFCCVEGCSA-N 1 1 232.302 2.456 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(CC)nc2)C1 ZINC000843422597 588108108 /nfs/dbraw/zinc/10/81/08/588108108.db2.gz GXECLYDZHNNNPJ-CYBMUJFWSA-N 1 1 243.354 2.274 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436562 588192998 /nfs/dbraw/zinc/19/29/98/588192998.db2.gz HGLIREZWXJKKMK-RYUDHWBXSA-N 1 1 245.313 2.435 20 30 BEEDMO C=C[C@H](C)ON=C1C[N@H+](C2CC2)C[C@H]1C ZINC000844621326 588209489 /nfs/dbraw/zinc/20/94/89/588209489.db2.gz GFLQVUXOCARXCO-ZJUUUORDSA-N 1 1 208.305 2.048 20 30 BEEDMO C=C[C@@H](C)ON=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000844621324 588209563 /nfs/dbraw/zinc/20/95/63/588209563.db2.gz GFLQVUXOCARXCO-VHSXEESVSA-N 1 1 208.305 2.048 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc2cnccc2o1 ZINC000845904550 588249931 /nfs/dbraw/zinc/24/99/31/588249931.db2.gz DUXWMTAKJGLDIV-UHFFFAOYSA-N 1 1 214.268 2.283 20 30 BEEDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000846010265 588253287 /nfs/dbraw/zinc/25/32/87/588253287.db2.gz HUVBDCKIJQXEME-JSGCOSHPSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000846010265 588253288 /nfs/dbraw/zinc/25/32/88/588253288.db2.gz HUVBDCKIJQXEME-JSGCOSHPSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@H]1C[C@H](NCC2(C#N)CCCC2)C[N@H+]1C1CC1 ZINC000846011020 588253521 /nfs/dbraw/zinc/25/35/21/588253521.db2.gz QNGQGZAEJQPZDJ-STQMWFEESA-N 1 1 247.386 2.285 20 30 BEEDMO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CN1C1CC1 ZINC000846011020 588253522 /nfs/dbraw/zinc/25/35/22/588253522.db2.gz QNGQGZAEJQPZDJ-STQMWFEESA-N 1 1 247.386 2.285 20 30 BEEDMO N#Cc1csc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846112554 588257237 /nfs/dbraw/zinc/25/72/37/588257237.db2.gz ROMLIHMZQBCOEQ-AOOOYVTPSA-N 1 1 240.278 2.317 20 30 BEEDMO N#Cc1csc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846112554 588257238 /nfs/dbraw/zinc/25/72/38/588257238.db2.gz ROMLIHMZQBCOEQ-AOOOYVTPSA-N 1 1 240.278 2.317 20 30 BEEDMO N#CCCCC[C@@H]([NH3+])c1nc(C2CC2)no1 ZINC000846770390 588287114 /nfs/dbraw/zinc/28/71/14/588287114.db2.gz CEPVTFMNTABAIR-SECBINFHSA-N 1 1 220.276 2.031 20 30 BEEDMO C=CC[N@@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000846842869 588292591 /nfs/dbraw/zinc/29/25/91/588292591.db2.gz WQBNWMNLRFKGSE-UHFFFAOYSA-N 1 1 229.283 2.373 20 30 BEEDMO C=CCC[N@H+](C)CC1(Br)CC1 ZINC000846868964 588294575 /nfs/dbraw/zinc/29/45/75/588294575.db2.gz RGQLRRCXVBBZIK-UHFFFAOYSA-N 1 1 218.138 2.422 20 30 BEEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccccc1F ZINC000846997017 588300834 /nfs/dbraw/zinc/30/08/34/588300834.db2.gz ZRSLXRZYCHNMLC-MFKMUULPSA-N 1 1 236.290 2.141 20 30 BEEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000846995032 588300915 /nfs/dbraw/zinc/30/09/15/588300915.db2.gz RFGTXTSMEYQREI-CHWSQXEVSA-N 1 1 236.290 2.141 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000847019117 588301779 /nfs/dbraw/zinc/30/17/79/588301779.db2.gz OUXQYLCOSLQRJE-ZFWWWQNUSA-N 1 1 235.371 2.273 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000847019540 588302433 /nfs/dbraw/zinc/30/24/33/588302433.db2.gz RFTLPTXKKGHJMP-LBPRGKRZSA-N 1 1 244.294 2.440 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000847021384 588302569 /nfs/dbraw/zinc/30/25/69/588302569.db2.gz LAZKPGYBVCUUIX-CYBMUJFWSA-N 1 1 229.323 2.024 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000847022092 588303026 /nfs/dbraw/zinc/30/30/26/588303026.db2.gz SCEDHSWASOBQCC-HNNXBMFYSA-N 1 1 234.387 2.208 20 30 BEEDMO C#C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000847022092 588303027 /nfs/dbraw/zinc/30/30/27/588303027.db2.gz SCEDHSWASOBQCC-HNNXBMFYSA-N 1 1 234.387 2.208 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000847023233 588303344 /nfs/dbraw/zinc/30/33/44/588303344.db2.gz BMFJSUBAGXTKMG-ZBFHGGJFSA-N 1 1 243.350 2.374 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000847024711 588303741 /nfs/dbraw/zinc/30/37/41/588303741.db2.gz RRFFECDEFSXBJH-SWLSCSKDSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000847026097 588303979 /nfs/dbraw/zinc/30/39/79/588303979.db2.gz XQLSUHRAWPZFCY-LBPRGKRZSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000847026097 588303980 /nfs/dbraw/zinc/30/39/80/588303980.db2.gz XQLSUHRAWPZFCY-LBPRGKRZSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000847033635 588304381 /nfs/dbraw/zinc/30/43/81/588304381.db2.gz FTYIELJDSHNLSI-KBPBESRZSA-N 1 1 221.344 2.148 20 30 BEEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CCCOC1)C2 ZINC000847047759 588304894 /nfs/dbraw/zinc/30/48/94/588304894.db2.gz YGRMJCYSHATQRF-CYBMUJFWSA-N 1 1 242.322 2.300 20 30 BEEDMO C=CCC(C)(C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847817718 588332088 /nfs/dbraw/zinc/33/20/88/588332088.db2.gz BSBYJNNMQXHWCL-GFCCVEGCSA-N 1 1 239.359 2.474 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847821601 588334311 /nfs/dbraw/zinc/33/43/11/588334311.db2.gz JGAAOEIEFNZFPH-CHWSQXEVSA-N 1 1 239.359 2.474 20 30 BEEDMO C=CCON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848412182 588380687 /nfs/dbraw/zinc/38/06/87/588380687.db2.gz KSSOKZBYWAMFKN-GFCCVEGCSA-N 1 1 208.305 2.193 20 30 BEEDMO CSCCON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848411442 588380700 /nfs/dbraw/zinc/38/07/00/588380700.db2.gz XIBBCRGUWCDKIE-LBPRGKRZSA-N 1 1 242.388 2.370 20 30 BEEDMO CCCON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848412831 588380884 /nfs/dbraw/zinc/38/08/84/588380884.db2.gz DAJYGMGTILBRBX-GFCCVEGCSA-N 1 1 210.321 2.417 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000848515603 588388066 /nfs/dbraw/zinc/38/80/66/588388066.db2.gz ZYCDLQPJPWAIKK-SKDRFNHKSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCCCC(C)(C)C#N ZINC000848517496 588389717 /nfs/dbraw/zinc/38/97/17/588389717.db2.gz HVISTHGYMGWGDS-NXEZZACHSA-N 1 1 223.320 2.471 20 30 BEEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000848521121 588391208 /nfs/dbraw/zinc/39/12/08/588391208.db2.gz SIXCZWOZJMHQPS-SKDRFNHKSA-N 1 1 229.283 2.213 20 30 BEEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccoc2)no1 ZINC000848627261 588401762 /nfs/dbraw/zinc/40/17/62/588401762.db2.gz KWMQVTKEDFTQOW-JTQLQIEISA-N 1 1 246.270 2.413 20 30 BEEDMO C=C(Br)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000107800761 588409744 /nfs/dbraw/zinc/40/97/44/588409744.db2.gz BOXJJFURVULVCH-SNVBAGLBSA-N 1 1 248.164 2.253 20 30 BEEDMO C#C[C@@H]1CCCN(c2cc(C)[nH+]c(CC)n2)C1 ZINC000848750093 588411304 /nfs/dbraw/zinc/41/13/04/588411304.db2.gz BQCWVJRLDNIIRD-GFCCVEGCSA-N 1 1 229.327 2.197 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(CC)c1O ZINC000848883034 588416931 /nfs/dbraw/zinc/41/69/31/588416931.db2.gz HOCPNCIZZCCOIT-UHFFFAOYSA-N 1 1 217.312 2.410 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cnc(Cl)n1C ZINC000848888248 588417913 /nfs/dbraw/zinc/41/79/13/588417913.db2.gz PWCYMLVWSMKMME-UHFFFAOYSA-N 1 1 227.739 2.472 20 30 BEEDMO C=C(C)C[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848900984 588418362 /nfs/dbraw/zinc/41/83/62/588418362.db2.gz MUJVJCRVYZZFKO-UHFFFAOYSA-N 1 1 213.712 2.081 20 30 BEEDMO C=C(Cl)C[NH2+][C@@H]1CCCn2nccc21 ZINC000850442697 588547059 /nfs/dbraw/zinc/54/70/59/588547059.db2.gz GAXZMZDSPSCWND-SECBINFHSA-N 1 1 211.696 2.060 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC1(C)C ZINC000850826486 588569347 /nfs/dbraw/zinc/56/93/47/588569347.db2.gz MTZWYJXDWKUYGL-STQMWFEESA-N 1 1 249.354 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCC1(C)C ZINC000850826485 588569529 /nfs/dbraw/zinc/56/95/29/588569529.db2.gz MTZWYJXDWKUYGL-QWHCGFSZSA-N 1 1 249.354 2.063 20 30 BEEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccccn1 ZINC000851721034 588617398 /nfs/dbraw/zinc/61/73/98/588617398.db2.gz ZJKLFULQRKURAZ-CYBMUJFWSA-N 1 1 220.316 2.013 20 30 BEEDMO C#CCOCC[N@H+](CC)C1CCCCC1 ZINC000851729639 588619200 /nfs/dbraw/zinc/61/92/00/588619200.db2.gz PKLAOLMHYRFHAO-UHFFFAOYSA-N 1 1 209.333 2.291 20 30 BEEDMO C#CCOCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000851739153 588620924 /nfs/dbraw/zinc/62/09/24/588620924.db2.gz DITHINIKLHCUHQ-OAHLLOKOSA-N 1 1 229.323 2.126 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CC[C@@H](OC)C1 ZINC000851741207 588621409 /nfs/dbraw/zinc/62/14/09/588621409.db2.gz BRVHXTROZMMSBP-IJLUTSLNSA-N 1 1 210.321 2.035 20 30 BEEDMO C#CCOCC[N@@H+]1CCc2c(C)cccc2C1 ZINC000851752957 588623608 /nfs/dbraw/zinc/62/36/08/588623608.db2.gz POMWTEUZHCYSHQ-UHFFFAOYSA-N 1 1 229.323 2.003 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC[C@H]1C(C)C ZINC000851776466 588624892 /nfs/dbraw/zinc/62/48/92/588624892.db2.gz RBBUFZWGHPELHN-ZDUSSCGKSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000851776465 588624971 /nfs/dbraw/zinc/62/49/71/588624971.db2.gz RBBUFZWGHPELHN-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000851783020 588627696 /nfs/dbraw/zinc/62/76/96/588627696.db2.gz HCHICBWDBROLCO-CYBMUJFWSA-N 1 1 229.323 2.083 20 30 BEEDMO C#CCOCC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000851786169 588628582 /nfs/dbraw/zinc/62/85/82/588628582.db2.gz QZGJOZFGSKUUKS-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@@H+](CCC#N)CC(CC)CC ZINC000851797271 588629861 /nfs/dbraw/zinc/62/98/61/588629861.db2.gz JQKBYZDCHMBSDN-UHFFFAOYSA-N 1 1 236.359 2.288 20 30 BEEDMO C#CCOCC[N@H+](C(C)C)C1CCCC1 ZINC000851835587 588634044 /nfs/dbraw/zinc/63/40/44/588634044.db2.gz AVUNCFOTOCUCGT-UHFFFAOYSA-N 1 1 209.333 2.289 20 30 BEEDMO C=CC[N@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851890689 588641064 /nfs/dbraw/zinc/64/10/64/588641064.db2.gz DSJIAHPGGCBLGX-GFCCVEGCSA-N 1 1 225.332 2.178 20 30 BEEDMO C=CC[N@@H+](Cc1cccc(F)n1)C1CC1 ZINC000851891661 588641268 /nfs/dbraw/zinc/64/12/68/588641268.db2.gz YRKCNVPYTVKEFF-UHFFFAOYSA-N 1 1 206.264 2.371 20 30 BEEDMO C=CC[N@H+](Cc1cccc(F)n1)C1CC1 ZINC000851891661 588641269 /nfs/dbraw/zinc/64/12/69/588641269.db2.gz YRKCNVPYTVKEFF-UHFFFAOYSA-N 1 1 206.264 2.371 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000851923926 588644280 /nfs/dbraw/zinc/64/42/80/588644280.db2.gz KNZKADQYFINKEC-INIZCTEOSA-N 1 1 243.350 2.434 20 30 BEEDMO C#CCOCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000851925508 588644640 /nfs/dbraw/zinc/64/46/40/588644640.db2.gz XBGFBEGVCDNTNC-INIZCTEOSA-N 1 1 243.350 2.434 20 30 BEEDMO C#C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCO1 ZINC000851951478 588647318 /nfs/dbraw/zinc/64/73/18/588647318.db2.gz XFZGXWVJYQAUTG-DTWKUNHWSA-N 1 1 234.126 2.076 20 30 BEEDMO C#CC[N@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000851979102 588651163 /nfs/dbraw/zinc/65/11/63/588651163.db2.gz XFKNGRJRVXSJFB-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC(C)(C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC000851986325 588651621 /nfs/dbraw/zinc/65/16/21/588651621.db2.gz IKARADFMEWAWTN-UHFFFAOYSA-N 1 1 218.300 2.396 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC000851986325 588651622 /nfs/dbraw/zinc/65/16/22/588651622.db2.gz IKARADFMEWAWTN-UHFFFAOYSA-N 1 1 218.300 2.396 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1COC(C)(C)O1 ZINC000851993611 588652859 /nfs/dbraw/zinc/65/28/59/588652859.db2.gz CURNVMKJYJZYDA-RYUDHWBXSA-N 1 1 225.332 2.178 20 30 BEEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000852100468 588662740 /nfs/dbraw/zinc/66/27/40/588662740.db2.gz HBSIYVJZXUCUKC-GZMMTYOYSA-N 1 1 223.345 2.299 20 30 BEEDMO C#C[C@](C)(CC)NCCC[NH+](CC)CC ZINC000852103916 588663831 /nfs/dbraw/zinc/66/38/31/588663831.db2.gz VMZHGBTZPJCUHN-CYBMUJFWSA-N 1 1 210.365 2.110 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000852162370 588668580 /nfs/dbraw/zinc/66/85/80/588668580.db2.gz IKLKYFFBNALGHJ-CYBMUJFWSA-N 1 1 249.329 2.338 20 30 BEEDMO C[Si](C)(C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852320136 588678575 /nfs/dbraw/zinc/67/85/75/588678575.db2.gz WYSWJBKVOZWAJX-LLVKDONJSA-N 1 1 210.397 2.489 20 30 BEEDMO C=CC[N@H+](Cc1oc(C)nc1C)[C@H](C)COC ZINC000852356733 588679774 /nfs/dbraw/zinc/67/97/74/588679774.db2.gz MUDBMVJOHUYYTE-SNVBAGLBSA-N 1 1 238.331 2.314 20 30 BEEDMO C=CC[N@@H+](Cc1oc(C)nc1C)[C@H](C)COC ZINC000852356733 588679775 /nfs/dbraw/zinc/67/97/75/588679775.db2.gz MUDBMVJOHUYYTE-SNVBAGLBSA-N 1 1 238.331 2.314 20 30 BEEDMO C=CC[N@@H+](C/C=C\Cl)[C@H](C)COC ZINC000852357603 588679863 /nfs/dbraw/zinc/67/98/63/588679863.db2.gz DYMLTDKDRYDLKC-WWQCOOJYSA-N 1 1 203.713 2.262 20 30 BEEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1)[C@H](C)COC ZINC000852357233 588680006 /nfs/dbraw/zinc/68/00/06/588680006.db2.gz YIOUQDXVNVVCIK-HIFRSBDPSA-N 1 1 249.354 2.243 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](Cc2nonc2C)C1 ZINC000852411796 588681482 /nfs/dbraw/zinc/68/14/82/588681482.db2.gz VMQOJLJTADLTHC-LLVKDONJSA-N 1 1 221.304 2.166 20 30 BEEDMO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cscn1 ZINC000852416054 588681762 /nfs/dbraw/zinc/68/17/62/588681762.db2.gz BYSGCGIFYNCIQH-DTWKUNHWSA-N 1 1 209.318 2.486 20 30 BEEDMO CCCCCCC[N@@H+](C)C[C@@H]1COCCO1 ZINC000852496144 588686091 /nfs/dbraw/zinc/68/60/91/588686091.db2.gz POFZLEOAXMJIPI-CYBMUJFWSA-N 1 1 229.364 2.304 20 30 BEEDMO C#CCC[N@H+]1CCc2cc(OC)ccc2C1 ZINC000852549489 588689307 /nfs/dbraw/zinc/68/93/07/588689307.db2.gz GGBAGGQFAUCVAN-UHFFFAOYSA-N 1 1 215.296 2.077 20 30 BEEDMO C=CC[N@@H+](Cc1nn(CC)nc1C)C(C)(C)C ZINC000852554660 588689594 /nfs/dbraw/zinc/68/95/94/588689594.db2.gz SWORLPFKHMBNNW-UHFFFAOYSA-N 1 1 236.363 2.393 20 30 BEEDMO C=CC[N@H+](Cc1nn(CC)nc1C)C(C)(C)C ZINC000852554660 588689595 /nfs/dbraw/zinc/68/95/95/588689595.db2.gz SWORLPFKHMBNNW-UHFFFAOYSA-N 1 1 236.363 2.393 20 30 BEEDMO C#CCC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637471 588693615 /nfs/dbraw/zinc/69/36/15/588693615.db2.gz YVWIGHHKMLLKEY-LBPRGKRZSA-N 1 1 207.317 2.043 20 30 BEEDMO Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000852684420 588695567 /nfs/dbraw/zinc/69/55/67/588695567.db2.gz GQDZUVSKVYKLBQ-HUUCEWRRSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccccc1[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000852684420 588695568 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588700481 /nfs/dbraw/zinc/70/04/81/588700481.db2.gz FUSPHHYLGGRBSN-GASCZTMLSA-N 1 1 233.355 2.292 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000852786298 588702061 /nfs/dbraw/zinc/70/20/61/588702061.db2.gz FZFLDEDTSYYOSN-KBPBESRZSA-N 1 1 221.344 2.291 20 30 BEEDMO CC12CC(C1)C[N@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000852786454 588702506 /nfs/dbraw/zinc/70/25/06/588702506.db2.gz WMDNJRJDAOTBCQ-HNFVBEJKSA-N 1 1 242.322 2.076 20 30 BEEDMO C#CC[N@@H+](Cc1nc(C)c[nH]1)C1CCCCC1 ZINC000862234991 589196196 /nfs/dbraw/zinc/19/61/96/589196196.db2.gz JFALOGAAOJVSFI-UHFFFAOYSA-N 1 1 231.343 2.486 20 30 BEEDMO C#CC[N@H+](Cc1nc(C)c[nH]1)C1CCCCC1 ZINC000862234991 589196197 /nfs/dbraw/zinc/19/61/97/589196197.db2.gz JFALOGAAOJVSFI-UHFFFAOYSA-N 1 1 231.343 2.486 20 30 BEEDMO C#CC[N@H+](CC#CC)C[C@]1(C)CCCS1 ZINC000862247112 589196663 /nfs/dbraw/zinc/19/66/63/589196663.db2.gz RDHQKAYLKZLYCJ-ZDUSSCGKSA-N 1 1 221.369 2.231 20 30 BEEDMO CCCCCCCNC(=O)Cn1cc[nH+]c1C ZINC000862355690 589202322 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/nfs/dbraw/zinc/25/91/94/589259194.db2.gz YQYFMFJHGOZRBI-UHFFFAOYSA-N 1 1 210.321 2.273 20 30 BEEDMO c1cnn([NH+]=C2CCc3cccnc3CC2)c1 ZINC000863163468 589266162 /nfs/dbraw/zinc/26/61/62/589266162.db2.gz DZZDNHVKBYVCGC-UHFFFAOYSA-N 1 1 226.283 2.061 20 30 BEEDMO CCC1(CC)C(=[NH+]n2cccn2)C[C@H]1OC ZINC000863164730 589266590 /nfs/dbraw/zinc/26/65/90/589266590.db2.gz UGYWARGMXYLGPY-LLVKDONJSA-N 1 1 221.304 2.312 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865471966 589439474 /nfs/dbraw/zinc/43/94/74/589439474.db2.gz TWYAZTQVRDDOBD-UHFFFAOYSA-N 1 1 249.745 2.466 20 30 BEEDMO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866391785 589489631 /nfs/dbraw/zinc/48/96/31/589489631.db2.gz PTCCKNVOXLYDLE-IUPBHXKESA-N 1 1 246.310 2.092 20 30 BEEDMO Cc1cn(Cc2ccc(C#N)o2)c(C)[nH+]1 ZINC000871663416 589785060 /nfs/dbraw/zinc/78/50/60/589785060.db2.gz GPYPOKHCNJMRGS-UHFFFAOYSA-N 1 1 201.229 2.013 20 30 BEEDMO Cc1[nH+]cn(Cc2ccc(C#N)o2)c1C ZINC000871663775 589785201 /nfs/dbraw/zinc/78/52/01/589785201.db2.gz QWFHPRPULDJSQK-UHFFFAOYSA-N 1 1 201.229 2.013 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCCO2)no1 ZINC000871788002 589819052 /nfs/dbraw/zinc/81/90/52/589819052.db2.gz HOFZSLCIJWCHPT-JGVFFNPUSA-N 1 1 243.694 2.064 20 30 BEEDMO C=CCCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317753 589910496 /nfs/dbraw/zinc/91/04/96/589910496.db2.gz AEHQPSDFRQELNL-UHFFFAOYSA-N 1 1 231.343 2.300 20 30 BEEDMO C[C@@H]1C(N=Nc2ccccc2)CC[N@H+]1C ZINC000872324489 589912297 /nfs/dbraw/zinc/91/22/97/589912297.db2.gz SFIGHLGOVYHUQR-SNVBAGLBSA-N 1 1 203.289 2.179 20 30 BEEDMO C[C@@H]1C(N=Nc2ncccc2Cl)CC[N@H+]1C ZINC000872344288 589915571 /nfs/dbraw/zinc/91/55/71/589915571.db2.gz RMLZZXPGHXXMBP-MRVPVSSYSA-N 1 1 238.722 2.227 20 30 BEEDMO C[C@H]1C(N=Nc2cc(Cl)ccn2)CC[N@H+]1C ZINC000872364969 589920345 /nfs/dbraw/zinc/92/03/45/589920345.db2.gz YDIPDCMZUVLYOY-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO C[C@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[N@H+]1C ZINC000872363993 589920887 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/nfs/dbraw/zinc/20/55/02/590205502.db2.gz SXVCTCDCOOELLM-CQSZACIVSA-N 1 1 223.360 2.274 20 30 BEEDMO C#CCCCCCC[N@@H+](CCC)CCO ZINC000876537746 590211937 /nfs/dbraw/zinc/21/19/37/590211937.db2.gz BHZZIEGYBKYEIP-UHFFFAOYSA-N 1 1 211.349 2.274 20 30 BEEDMO CC[N@@H+](Cc1cccc(C#N)n1)C(C)C ZINC000876562562 590216410 /nfs/dbraw/zinc/21/64/10/590216410.db2.gz ZNQGRGKOAXZBBV-UHFFFAOYSA-N 1 1 203.289 2.184 20 30 BEEDMO C[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876636937 590224090 /nfs/dbraw/zinc/22/40/90/590224090.db2.gz NPLXYGNJRHKHDN-VIFPVBQESA-N 1 1 235.718 2.448 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876636937 590224091 /nfs/dbraw/zinc/22/40/91/590224091.db2.gz NPLXYGNJRHKHDN-VIFPVBQESA-N 1 1 235.718 2.448 20 30 BEEDMO C#CCCCCCC[N@H+](C)Cc1cnccn1 ZINC000876643480 590225804 /nfs/dbraw/zinc/22/58/04/590225804.db2.gz FRQLJSBCYACQPW-UHFFFAOYSA-N 1 1 231.343 2.492 20 30 BEEDMO Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)c(O)c1 ZINC000876689823 590230060 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204.317 2.241 20 30 BEEDMO C=CC(C)(C)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925720369 646444856 /nfs/dbraw/zinc/44/48/56/646444856.db2.gz GWWVIDWDPQCSNV-NSHDSACASA-N 1 1 210.365 2.319 20 30 BEEDMO CC(C)n1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)nn1 ZINC000926344316 646621944 /nfs/dbraw/zinc/62/19/44/646621944.db2.gz KIHZAQHAOJFPFR-LLVKDONJSA-N 1 1 247.346 2.203 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC000972244709 711591114 /nfs/dbraw/zinc/59/11/14/711591114.db2.gz HDEORPUAVYEECL-GXTWGEPZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC000972244719 711591124 /nfs/dbraw/zinc/59/11/24/711591124.db2.gz HDEORPUAVYEECL-JSGCOSHPSA-N 1 1 238.375 2.141 20 30 BEEDMO CCCCCCCC[N@@H+]1CCCO[C@H](CN)C1 ZINC000313342602 711718715 /nfs/dbraw/zinc/71/87/15/711718715.db2.gz GSMAJQAJTZOKNO-CQSZACIVSA-N 1 1 242.407 2.397 20 30 BEEDMO CCCCCCCC[N@H+]1CCCO[C@H](CN)C1 ZINC000313342602 711718716 /nfs/dbraw/zinc/71/87/16/711718716.db2.gz GSMAJQAJTZOKNO-CQSZACIVSA-N 1 1 242.407 2.397 20 30 BEEDMO CCCCCCCCN1CCCO[C@H](C[NH3+])C1 ZINC000313342602 711718717 /nfs/dbraw/zinc/71/87/17/711718717.db2.gz GSMAJQAJTZOKNO-CQSZACIVSA-N 1 1 242.407 2.397 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253092528 711775445 /nfs/dbraw/zinc/77/54/45/711775445.db2.gz LCJRCAFHIOTYGK-BFHYXJOUSA-N 1 1 221.344 2.025 20 30 BEEDMO CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](C#N)C2)O1 ZINC000160371229 711807894 /nfs/dbraw/zinc/80/78/94/711807894.db2.gz CHZNVILSCJDKGV-VXGBXAGGSA-N 1 1 222.332 2.180 20 30 BEEDMO CC1(C)CC[C@H](C[N@H+]2CCC[C@H](C#N)C2)O1 ZINC000160371229 711807895 /nfs/dbraw/zinc/80/78/95/711807895.db2.gz CHZNVILSCJDKGV-VXGBXAGGSA-N 1 1 222.332 2.180 20 30 BEEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000087592199 711837854 /nfs/dbraw/zinc/83/78/54/711837854.db2.gz WIBCHYFWFCAPSK-NSHDSACASA-N 1 1 205.305 2.162 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000087592199 711837855 /nfs/dbraw/zinc/83/78/55/711837855.db2.gz WIBCHYFWFCAPSK-NSHDSACASA-N 1 1 205.305 2.162 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C)CCOC1CCCCC1 ZINC000701397560 712021924 /nfs/dbraw/zinc/02/19/24/712021924.db2.gz FIFXZTLDIVZLFF-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCOC1CCCCC1 ZINC000701397560 712021928 /nfs/dbraw/zinc/02/19/28/712021928.db2.gz FIFXZTLDIVZLFF-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000701910665 712032144 /nfs/dbraw/zinc/03/21/44/712032144.db2.gz IDUJXGYCSSYFPC-NEPJUHHUSA-N 1 1 222.376 2.448 20 30 BEEDMO CC(C)OCCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000703273906 712069357 /nfs/dbraw/zinc/06/93/57/712069357.db2.gz OIGKPAQXFLHOQJ-LBPRGKRZSA-N 1 1 210.321 2.037 20 30 BEEDMO CC(C)OCCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000703273906 712069359 /nfs/dbraw/zinc/06/93/59/712069359.db2.gz OIGKPAQXFLHOQJ-LBPRGKRZSA-N 1 1 210.321 2.037 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@@H](CCCC)C(=O)OC)C1 ZINC000709555234 712224677 /nfs/dbraw/zinc/22/46/77/712224677.db2.gz VTTUKUKUEKMITI-OLZOCXBDSA-N 1 1 237.343 2.063 20 30 BEEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccon1 ZINC000709997340 712238593 /nfs/dbraw/zinc/23/85/93/712238593.db2.gz PFZGGPZGVHNZTA-VIFPVBQESA-N 1 1 207.277 2.093 20 30 BEEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713617502 712467074 /nfs/dbraw/zinc/46/70/74/712467074.db2.gz FQBKGDOQXNDVTI-VXGBXAGGSA-N 1 1 224.348 2.283 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC(C)(C)CO1 ZINC000713617502 712467075 /nfs/dbraw/zinc/46/70/75/712467075.db2.gz FQBKGDOQXNDVTI-VXGBXAGGSA-N 1 1 224.348 2.283 20 30 BEEDMO C#CCCCN1CCC(CC)([NH+](C)C)CC1 ZINC000715178097 712513578 /nfs/dbraw/zinc/51/35/78/712513578.db2.gz IVNQDMZYKMYHFB-UHFFFAOYSA-N 1 1 222.376 2.206 20 30 BEEDMO C#CCC[N@H+](CCCC(C)(C)C#N)CCOC ZINC000852752437 712612900 /nfs/dbraw/zinc/61/29/00/712612900.db2.gz YPQCPQWWEKMURO-UHFFFAOYSA-N 1 1 236.359 2.288 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000379847256 712616722 /nfs/dbraw/zinc/61/67/22/712616722.db2.gz IFGDOFXSHWDZKG-GRYCIOLGSA-N 1 1 210.321 2.178 20 30 BEEDMO CC(C)[C@H](O)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879308354 712632992 /nfs/dbraw/zinc/63/29/92/712632992.db2.gz APHUGWUIUXAQEG-YNEHKIRRSA-N 1 1 224.348 2.017 20 30 BEEDMO C[N@@H+](C[Si](C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879308532 712633003 /nfs/dbraw/zinc/63/30/03/712633003.db2.gz PZBPSMWRXTTYIE-MNOVXSKESA-N 1 1 210.397 2.488 20 30 BEEDMO C#C[C@H](C)[NH2+]Cc1ncc(C(C)C)s1 ZINC000389326755 712688912 /nfs/dbraw/zinc/68/89/12/712688912.db2.gz TXLLHAPKVSVVAX-VIFPVBQESA-N 1 1 208.330 2.378 20 30 BEEDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C#N ZINC000720351747 712832847 /nfs/dbraw/zinc/83/28/47/712832847.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 1 1 235.375 2.095 20 30 BEEDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCC(C)(C)C#N ZINC000720351747 712832849 /nfs/dbraw/zinc/83/28/49/712832849.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 1 1 235.375 2.095 20 30 BEEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1 ZINC001038016069 712898321 /nfs/dbraw/zinc/89/83/21/712898321.db2.gz DENUOTVBFDMVFO-CQSZACIVSA-N 1 1 244.338 2.067 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000384124551 710618775 /nfs/dbraw/zinc/61/87/75/710618775.db2.gz ASNNSOGOCBPERS-KGLIPLIRSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCCCN1C ZINC000384124551 710618777 /nfs/dbraw/zinc/61/87/77/710618777.db2.gz ASNNSOGOCBPERS-KGLIPLIRSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@@](C)(CC)NCC[C@H]1CCCC[N@@H+]1C ZINC000384124551 710618781 /nfs/dbraw/zinc/61/87/81/710618781.db2.gz ASNNSOGOCBPERS-KGLIPLIRSA-N 1 1 222.376 2.252 20 30 BEEDMO C#C[C@@](C)(CC)NCC[C@H]1CCCC[N@H+]1C ZINC000384124551 710618784 /nfs/dbraw/zinc/61/87/84/710618784.db2.gz ASNNSOGOCBPERS-KGLIPLIRSA-N 1 1 222.376 2.252 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001038020790 712898733 /nfs/dbraw/zinc/89/87/33/712898733.db2.gz IOGDDPUMPPBIRL-LBPRGKRZSA-N 1 1 248.326 2.050 20 30 BEEDMO C[C@H]([NH2+]CCCCC#N)C(=O)OC(C)(C)C ZINC000381658980 710669002 /nfs/dbraw/zinc/66/90/02/710669002.db2.gz FSXRHPINFADDKL-JTQLQIEISA-N 1 1 226.320 2.000 20 30 BEEDMO C[C@@H]([NH2+]CCCCC#N)C(=O)OC(C)(C)C ZINC000381658997 710669517 /nfs/dbraw/zinc/66/95/17/710669517.db2.gz FSXRHPINFADDKL-SNVBAGLBSA-N 1 1 226.320 2.000 20 30 BEEDMO CC(C)(O)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000721847752 710687276 /nfs/dbraw/zinc/68/72/76/710687276.db2.gz VKTAGOUMFHNZBJ-HNNXBMFYSA-N 1 1 243.350 2.131 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723821634 710732600 /nfs/dbraw/zinc/73/26/00/710732600.db2.gz CAORBRKYBBYKBE-JHJVBQTASA-N 1 1 224.348 2.283 20 30 BEEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cccc(C#N)c1 ZINC000724156592 710737520 /nfs/dbraw/zinc/73/75/20/710737520.db2.gz KSEQOMJLXKWAHA-KGLIPLIRSA-N 1 1 230.311 2.167 20 30 BEEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000724156574 710737640 /nfs/dbraw/zinc/73/76/40/710737640.db2.gz KKIYZZPOVYYQHH-LSDHHAIUSA-N 1 1 244.338 2.476 20 30 BEEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000724156573 710738181 /nfs/dbraw/zinc/73/81/81/710738181.db2.gz KKIYZZPOVYYQHH-HUUCEWRRSA-N 1 1 244.338 2.476 20 30 BEEDMO N#CC1(C[NH2+][C@H]2CCCn3nccc32)CCCC1 ZINC000903109257 710892383 /nfs/dbraw/zinc/89/23/83/710892383.db2.gz LOHOAALXYVJJRF-LBPRGKRZSA-N 1 1 244.342 2.392 20 30 BEEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC ZINC001049262502 710897488 /nfs/dbraw/zinc/89/74/88/710897488.db2.gz DJDWZGRTINUHDQ-OLZOCXBDSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001049274037 710898705 /nfs/dbraw/zinc/89/87/05/710898705.db2.gz SCXHHBXGLCJCAL-KGLIPLIRSA-N 1 1 248.370 2.038 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C=C(C)C ZINC001049293666 710898818 /nfs/dbraw/zinc/89/88/18/710898818.db2.gz VPNXYMKDWGCXSJ-KGLIPLIRSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)CC1 ZINC001052296756 710963483 /nfs/dbraw/zinc/96/34/83/710963483.db2.gz JNZZZRZFNKQGLP-CQSZACIVSA-N 1 1 248.370 2.253 20 30 BEEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)CC1 ZINC001052269511 710963816 /nfs/dbraw/zinc/96/38/16/710963816.db2.gz USYJSBZLWIAVHM-CQSZACIVSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CCCC[N@H+](C)C/C=C(\C)C(=O)OC ZINC000382498489 710971672 /nfs/dbraw/zinc/97/16/72/710971672.db2.gz MWKOCTNWCKSJGO-DHZHZOJOSA-N 1 1 211.305 2.004 20 30 BEEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc[nH]1 ZINC000390417747 711116499 /nfs/dbraw/zinc/11/64/99/711116499.db2.gz IBIARMDRAHHGMD-QWRGUYRKSA-N 1 1 216.288 2.109 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071415603 711191784 /nfs/dbraw/zinc/19/17/84/711191784.db2.gz BYVGPLIILJVPQP-GXTWGEPZSA-N 1 1 248.370 2.252 20 30 BEEDMO CCCCCCCC[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395308155 711207469 /nfs/dbraw/zinc/20/74/69/711207469.db2.gz YPILNUMVCKDAJS-CHWSQXEVSA-N 1 1 229.364 2.038 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001072011957 711215020 /nfs/dbraw/zinc/21/50/20/711215020.db2.gz GJEGDARGCJNVOP-RYUDHWBXSA-N 1 1 238.375 2.188 20 30 BEEDMO Cc1ccc(OCC[NH2+][C@@H](C)CC#N)cc1 ZINC000381158174 710605631 /nfs/dbraw/zinc/60/56/31/710605631.db2.gz QSJHZGMDYMEPRD-LBPRGKRZSA-N 1 1 218.300 2.266 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/C ZINC001049409004 710900749 /nfs/dbraw/zinc/90/07/49/710900749.db2.gz YCLKKVNSSHBJFW-ODYZYYDOSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)CC1 ZINC001052886142 710918315 /nfs/dbraw/zinc/91/83/15/710918315.db2.gz HDRLRGPVBXGVRM-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCC[N@@H+]1Cc2ccc(CNC(C)=O)cc2C1 ZINC001054252630 710923835 /nfs/dbraw/zinc/92/38/35/710923835.db2.gz ULZBVKIXROSFOL-UHFFFAOYSA-N 1 1 244.338 2.214 20 30 BEEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071313416 711188984 /nfs/dbraw/zinc/18/89/84/711188984.db2.gz ZIEKLONBUNTURF-NWDGAFQWSA-N 1 1 248.326 2.048 20 30 BEEDMO Cc1cnccc1CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000397630165 711388350 /nfs/dbraw/zinc/38/83/50/711388350.db2.gz BJQVTZLCRSCVPY-ZDUSSCGKSA-N 1 1 229.327 2.168 20 30 BEEDMO Cc1cnccc1CC[N@H+]1CCC[C@@H](C#N)C1 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/nfs/dbraw/zinc/24/94/82/343249482.db2.gz JJUAFOJEEFDLGE-LLVKDONJSA-N 1 1 234.299 2.152 20 30 BEEDMO N#CCCOCC[N@H+]1CCc2ccsc2C1 ZINC000293699763 136289733 /nfs/dbraw/zinc/28/97/33/136289733.db2.gz CPMCLVQALUJTRY-UHFFFAOYSA-N 1 1 236.340 2.036 20 30 BEEDMO COc1c(C)cnc(C[N@H+](C)CCCC#N)c1C ZINC000295241639 136290340 /nfs/dbraw/zinc/29/03/40/136290340.db2.gz YFSNWMWEDZGCJX-UHFFFAOYSA-N 1 1 247.342 2.443 20 30 BEEDMO COc1c(C)cnc(C[N@@H+](C)CCCC#N)c1C ZINC000295241639 136290341 /nfs/dbraw/zinc/29/03/41/136290341.db2.gz YFSNWMWEDZGCJX-UHFFFAOYSA-N 1 1 247.342 2.443 20 30 BEEDMO COc1c(C)c[nH+]c(CN(C)CCCC#N)c1C ZINC000295241639 136290342 /nfs/dbraw/zinc/29/03/42/136290342.db2.gz YFSNWMWEDZGCJX-UHFFFAOYSA-N 1 1 247.342 2.443 20 30 BEEDMO COC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000282294896 136286215 /nfs/dbraw/zinc/28/62/15/136286215.db2.gz LXRAGMZSVPXHPI-SRVKXCTJSA-N 1 1 234.299 2.249 20 30 BEEDMO C=CCCCC[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000580035600 343281574 /nfs/dbraw/zinc/28/15/74/343281574.db2.gz SYLIAJRPJGFXJV-AWEZNQCLSA-N 1 1 238.375 2.143 20 30 BEEDMO CCc1nc(N2CCC(C)(C#N)CC2)cc(C)[nH+]1 ZINC000286601211 136287573 /nfs/dbraw/zinc/28/75/73/136287573.db2.gz UUZCRTNUKTTWEP-UHFFFAOYSA-N 1 1 244.342 2.478 20 30 BEEDMO CN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000602873513 349804569 /nfs/dbraw/zinc/80/45/69/349804569.db2.gz JZWTZRMBKMPKJG-BFHYXJOUSA-N 1 1 249.402 2.341 20 30 BEEDMO C[N@@H+]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000602873513 349804575 /nfs/dbraw/zinc/80/45/75/349804575.db2.gz JZWTZRMBKMPKJG-BFHYXJOUSA-N 1 1 249.402 2.341 20 30 BEEDMO CC[C@H]1COCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000165445322 343350139 /nfs/dbraw/zinc/35/01/39/343350139.db2.gz FYEMJRYYESYKCE-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[C@H]1COCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000165445322 343350142 /nfs/dbraw/zinc/35/01/42/343350142.db2.gz FYEMJRYYESYKCE-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO CCCC[N@@H+](CCO)Cc1ccc(C#N)cc1C ZINC000165455977 343353097 /nfs/dbraw/zinc/35/30/97/343353097.db2.gz OSSQSFCTEBUPIU-UHFFFAOYSA-N 1 1 246.354 2.461 20 30 BEEDMO COc1c(C)c[nH+]c(CN(C)C[C@@H](C)C#N)c1C ZINC000042461056 343439339 /nfs/dbraw/zinc/43/93/39/343439339.db2.gz XGVCFWIZZQHSGL-JTQLQIEISA-N 1 1 247.342 2.299 20 30 BEEDMO CC#CC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349249051 136332945 /nfs/dbraw/zinc/33/29/45/136332945.db2.gz WROAPUUZPDMHOB-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO CC#CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000349249051 136332946 /nfs/dbraw/zinc/33/29/46/136332946.db2.gz WROAPUUZPDMHOB-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)CO ZINC000349276596 136333826 /nfs/dbraw/zinc/33/38/26/136333826.db2.gz KGHHYKKLLYWBTA-GFCCVEGCSA-N 1 1 235.327 2.064 20 30 BEEDMO C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000335719821 136340639 /nfs/dbraw/zinc/34/06/39/136340639.db2.gz TZYQACKZTUSHLE-WDEREUQCSA-N 1 1 249.383 2.144 20 30 BEEDMO C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1OCO2 ZINC000329316459 136364960 /nfs/dbraw/zinc/36/49/60/136364960.db2.gz DZDBZFJHVCBHBZ-SNVBAGLBSA-N 1 1 248.282 2.098 20 30 BEEDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1OCO2 ZINC000329316459 136364961 /nfs/dbraw/zinc/36/49/61/136364961.db2.gz DZDBZFJHVCBHBZ-SNVBAGLBSA-N 1 1 248.282 2.098 20 30 BEEDMO C=C(C)C[N@@H+](C)CCc1c(C)noc1C ZINC000351100549 136367546 /nfs/dbraw/zinc/36/75/46/136367546.db2.gz MOGSPJLRLXAGSR-UHFFFAOYSA-N 1 1 208.305 2.342 20 30 BEEDMO Cc1cc(CN2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000335863664 344033164 /nfs/dbraw/zinc/03/31/64/344033164.db2.gz LHXMPSOJXFEYKL-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO Cc1cc(C[N@H+]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000335863664 344033166 /nfs/dbraw/zinc/03/31/66/344033166.db2.gz LHXMPSOJXFEYKL-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO Cc1cc(C[N@@H+]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000335863664 344033171 /nfs/dbraw/zinc/03/31/71/344033171.db2.gz LHXMPSOJXFEYKL-ZDUSSCGKSA-N 1 1 243.354 2.003 20 30 BEEDMO C=CCOCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000580548438 365749970 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ZINC000602981332 349830680 /nfs/dbraw/zinc/83/06/80/349830680.db2.gz BQAFAKYZYYHMDZ-WCQYABFASA-N 1 1 222.332 2.180 20 30 BEEDMO C[N@@H+](CCOC1CCC1)[C@@H]1CCC[C@H]1C#N ZINC000602981332 349830681 /nfs/dbraw/zinc/83/06/81/349830681.db2.gz BQAFAKYZYYHMDZ-WCQYABFASA-N 1 1 222.332 2.180 20 30 BEEDMO C[N@H+](CCc1cscn1)[C@H]1CCC[C@H]1C#N ZINC000602981442 349831030 /nfs/dbraw/zinc/83/10/30/349831030.db2.gz DGPMWUJAWHSSJK-JQWIXIFHSA-N 1 1 235.356 2.310 20 30 BEEDMO C[N@@H+](CCc1cscn1)[C@H]1CCC[C@H]1C#N ZINC000602981442 349831033 /nfs/dbraw/zinc/83/10/33/349831033.db2.gz DGPMWUJAWHSSJK-JQWIXIFHSA-N 1 1 235.356 2.310 20 30 BEEDMO C[N@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602981605 349831492 /nfs/dbraw/zinc/83/14/92/349831492.db2.gz GQBPCPVYCIYRHW-GMTAPVOTSA-N 1 1 244.285 2.035 20 30 BEEDMO C[N@@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602981605 349831495 /nfs/dbraw/zinc/83/14/95/349831495.db2.gz GQBPCPVYCIYRHW-GMTAPVOTSA-N 1 1 244.285 2.035 20 30 BEEDMO C[C@@H]1OCC[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981508 349831622 /nfs/dbraw/zinc/83/16/22/349831622.db2.gz FGAYYYJDHVWDDH-WUHRBBMRSA-N 1 1 222.332 2.035 20 30 BEEDMO CC[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000338894284 343691962 /nfs/dbraw/zinc/69/19/62/343691962.db2.gz HAMUMDMQIIJMTN-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO Cc1nccn1CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979171 349843427 /nfs/dbraw/zinc/84/34/27/349843427.db2.gz AQOJEBKFWBSWAD-KBPBESRZSA-N 1 1 246.358 2.206 20 30 BEEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCOCCC#N)C1 ZINC000339121513 343695270 /nfs/dbraw/zinc/69/52/70/343695270.db2.gz YTRPTRBLFXUKAP-FRRDWIJNSA-N 1 1 224.348 2.283 20 30 BEEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCC[C@H]1C#N ZINC000602977363 349841958 /nfs/dbraw/zinc/84/19/58/349841958.db2.gz AHOVNYKCXIIIPQ-NWDGAFQWSA-N 1 1 237.372 2.257 20 30 BEEDMO N#CCC1(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000602997454 349851362 /nfs/dbraw/zinc/85/13/62/349851362.db2.gz KIHBUASPEUVOJX-MJBXVCDLSA-N 1 1 248.370 2.306 20 30 BEEDMO C[C@@H]1CC[C@H](C[N@H+](C)[C@H]2CCC[C@H]2C#N)O1 ZINC000602979915 349844216 /nfs/dbraw/zinc/84/42/16/349844216.db2.gz JBKZCDAROYILHI-XQHKEYJVSA-N 1 1 222.332 2.178 20 30 BEEDMO C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CCC[C@H]2C#N)O1 ZINC000602979915 349844219 /nfs/dbraw/zinc/84/42/19/349844219.db2.gz JBKZCDAROYILHI-XQHKEYJVSA-N 1 1 222.332 2.178 20 30 BEEDMO CCn1cc(CC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602979417 349844305 /nfs/dbraw/zinc/84/43/05/349844305.db2.gz CZMUBDNVFLTQAO-ZIAGYGMSSA-N 1 1 246.358 2.070 20 30 BEEDMO CCn1cc(CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cn1 ZINC000602979417 349844307 /nfs/dbraw/zinc/84/43/07/349844307.db2.gz CZMUBDNVFLTQAO-ZIAGYGMSSA-N 1 1 246.358 2.070 20 30 BEEDMO Cc1noc(C)c1CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979557 349844540 /nfs/dbraw/zinc/84/45/40/349844540.db2.gz FWIUSYPKLGTLRV-OCCSQVGLSA-N 1 1 247.342 2.458 20 30 BEEDMO Cc1noc(C)c1CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979557 349844541 /nfs/dbraw/zinc/84/45/41/349844541.db2.gz 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179066227 /nfs/dbraw/zinc/06/62/27/179066227.db2.gz IVXFRMISMPUQSL-JTQLQIEISA-N 1 1 218.300 2.292 20 30 BEEDMO Cc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1O ZINC000271717291 179066230 /nfs/dbraw/zinc/06/62/30/179066230.db2.gz IVXFRMISMPUQSL-JTQLQIEISA-N 1 1 218.300 2.292 20 30 BEEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000574924480 346414270 /nfs/dbraw/zinc/41/42/70/346414270.db2.gz PJZZLYQHVGPDIM-CYBMUJFWSA-N 1 1 215.300 2.328 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1ncc(COC)s1)C(C)C ZINC000381604376 346416682 /nfs/dbraw/zinc/41/66/82/346416682.db2.gz PIWRZECTJOMZMU-LLVKDONJSA-N 1 1 238.356 2.037 20 30 BEEDMO N#Cc1cc(C[NH+]2CCCC2)c(F)cc1F ZINC000669379703 537982414 /nfs/dbraw/zinc/98/24/14/537982414.db2.gz KFQOCAGDCPMERM-UHFFFAOYSA-N 1 1 222.238 2.432 20 30 BEEDMO Cc1ccc(C[NH2+]C[C@@H](C)C#N)cc1F ZINC000070159263 349966671 /nfs/dbraw/zinc/96/66/71/349966671.db2.gz STWQQHPXQYGVMP-VIFPVBQESA-N 1 1 206.264 2.383 20 30 BEEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000007702756 346548403 /nfs/dbraw/zinc/54/84/03/346548403.db2.gz WNXZZNYQQAXSBK-UHFFFAOYSA-N 1 1 248.326 2.142 20 30 BEEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000007702756 346548407 /nfs/dbraw/zinc/54/84/07/346548407.db2.gz WNXZZNYQQAXSBK-UHFFFAOYSA-N 1 1 248.326 2.142 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+](CCOC2CCC2)C1 ZINC000588204801 346648975 /nfs/dbraw/zinc/64/89/75/346648975.db2.gz STGWOKQBYLFRSD-CYBMUJFWSA-N 1 1 222.332 2.181 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CCOC2CCC2)C1 ZINC000588204801 346648976 /nfs/dbraw/zinc/64/89/76/346648976.db2.gz STGWOKQBYLFRSD-CYBMUJFWSA-N 1 1 222.332 2.181 20 30 BEEDMO COCC[N@H+](CCC#N)CC1(SC)CCC1 ZINC000589498193 346709331 /nfs/dbraw/zinc/70/93/31/346709331.db2.gz CUDFQYMLYYUAGH-UHFFFAOYSA-N 1 1 242.388 2.134 20 30 BEEDMO COCC[N@@H+](CCC#N)CC1(SC)CCC1 ZINC000589498193 346709332 /nfs/dbraw/zinc/70/93/32/346709332.db2.gz CUDFQYMLYYUAGH-UHFFFAOYSA-N 1 1 242.388 2.134 20 30 BEEDMO CO[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CC[C@@H]1C ZINC000589822199 346739474 /nfs/dbraw/zinc/73/94/74/346739474.db2.gz KRAGXVKGGQYQLD-FRRDWIJNSA-N 1 1 224.348 2.283 20 30 BEEDMO C[N@@H+](CCOC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000590162742 346785327 /nfs/dbraw/zinc/78/53/27/346785327.db2.gz QVYLRESHKVKGAU-NEPJUHHUSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590173266 346786897 /nfs/dbraw/zinc/78/68/97/346786897.db2.gz ZITVGZDPHALASU-FRRDWIJNSA-N 1 1 217.316 2.304 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590173266 346786902 /nfs/dbraw/zinc/78/69/02/346786902.db2.gz ZITVGZDPHALASU-FRRDWIJNSA-N 1 1 217.316 2.304 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000309599351 347114105 /nfs/dbraw/zinc/11/41/05/347114105.db2.gz XFHFHOQZWZYIMF-REWJHTLYSA-N 1 1 222.376 2.413 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000309599346 347114533 /nfs/dbraw/zinc/11/45/33/347114533.db2.gz XFHFHOQZWZYIMF-FQUUOJAGSA-N 1 1 222.376 2.413 20 30 BEEDMO C=CCSCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309597584 347114681 /nfs/dbraw/zinc/11/46/81/347114681.db2.gz IXLQICFHNCWNMD-LLVKDONJSA-N 1 1 237.372 2.296 20 30 BEEDMO C[C@@H](C#N)CNCc1cnc(-c2ccccc2)[nH]1 ZINC000183817112 347137045 /nfs/dbraw/zinc/13/70/45/347137045.db2.gz VLPHLCDURMCFOD-NSHDSACASA-N 1 1 240.310 2.326 20 30 BEEDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)CC#N ZINC000184080661 347148238 /nfs/dbraw/zinc/14/82/38/347148238.db2.gz JJHVXGQCZKKNIP-LLVKDONJSA-N 1 1 248.374 2.327 20 30 BEEDMO C=CCCC[NH2+][C@@](C)(CCC)C(=O)OC ZINC000117882158 347205555 /nfs/dbraw/zinc/20/55/55/347205555.db2.gz MKHWSYQCZCIVGT-LBPRGKRZSA-N 1 1 213.321 2.274 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363920473 347183676 /nfs/dbraw/zinc/18/36/76/347183676.db2.gz JYIFBASLLCMYMJ-ZDUSSCGKSA-N 1 1 219.332 2.442 20 30 BEEDMO CC#CC[N@@H+](C)CC1(O)CCCCCC1 ZINC000187342951 347252770 /nfs/dbraw/zinc/25/27/70/347252770.db2.gz NSSLDRHXXAEFLM-UHFFFAOYSA-N 1 1 209.333 2.027 20 30 BEEDMO C=CCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000276107835 166257166 /nfs/dbraw/zinc/25/71/66/166257166.db2.gz HDQXEZLTRGIHRC-UHFFFAOYSA-N 1 1 213.712 2.081 20 30 BEEDMO C=CCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000276107835 166257169 /nfs/dbraw/zinc/25/71/69/166257169.db2.gz HDQXEZLTRGIHRC-UHFFFAOYSA-N 1 1 213.712 2.081 20 30 BEEDMO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000193029463 347388443 /nfs/dbraw/zinc/38/84/43/347388443.db2.gz WGAJRCKXKADZPH-WXHSDQCUSA-N 1 1 246.358 2.321 20 30 BEEDMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000193029476 347388472 /nfs/dbraw/zinc/38/84/72/347388472.db2.gz WGAJRCKXKADZPH-DRZSPHRISA-N 1 1 246.358 2.321 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433787 347422640 /nfs/dbraw/zinc/42/26/40/347422640.db2.gz IMPIQTODNIHGAY-HNNXBMFYSA-N 1 1 242.322 2.158 20 30 BEEDMO C=CCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000265812762 166260182 /nfs/dbraw/zinc/26/01/82/166260182.db2.gz QIYIJDHLIXFCNC-CYBMUJFWSA-N 1 1 233.311 2.409 20 30 BEEDMO C=CCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1 ZINC000265812762 166260185 /nfs/dbraw/zinc/26/01/85/166260185.db2.gz QIYIJDHLIXFCNC-CYBMUJFWSA-N 1 1 233.311 2.409 20 30 BEEDMO Cc1ccc(C[N@@H+](C)CCCSCC#N)nc1 ZINC000590754659 347505497 /nfs/dbraw/zinc/50/54/97/347505497.db2.gz MVESAMQWIYECRD-UHFFFAOYSA-N 1 1 249.383 2.469 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765007 347529920 /nfs/dbraw/zinc/52/99/20/347529920.db2.gz HCDYUDUEDVYZOX-NLRWUALESA-N 1 1 249.354 2.082 20 30 BEEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cscn1 ZINC000380131015 365904234 /nfs/dbraw/zinc/90/42/34/365904234.db2.gz SURVLFODIIFKBY-IVZWLZJFSA-N 1 1 221.329 2.486 20 30 BEEDMO C[C@]1(C#N)CCC[N@H+](CCOCC2CCC2)C1 ZINC000591375647 347650666 /nfs/dbraw/zinc/65/06/66/347650666.db2.gz NGOUQHNWPSJTTD-CQSZACIVSA-N 1 1 236.359 2.429 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CCOCC2CCC2)C1 ZINC000591375647 347650669 /nfs/dbraw/zinc/65/06/69/347650669.db2.gz NGOUQHNWPSJTTD-CQSZACIVSA-N 1 1 236.359 2.429 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000577261258 365905957 /nfs/dbraw/zinc/90/59/57/365905957.db2.gz PHXIVNNMCOQFJB-CQSZACIVSA-N 1 1 238.375 2.191 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591013254 347606208 /nfs/dbraw/zinc/60/62/08/347606208.db2.gz OPEIRYYNMPJLLG-QWHCGFSZSA-N 1 1 232.331 2.212 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591055380 347612059 /nfs/dbraw/zinc/61/20/59/347612059.db2.gz ICABOCZAMFGFHE-TZMCWYRMSA-N 1 1 237.343 2.063 20 30 BEEDMO C[C@@H](N[C@H]1CCC[NH2+]CC1)c1cccc(C#N)c1 ZINC000591571008 347676032 /nfs/dbraw/zinc/67/60/32/347676032.db2.gz SQYCKPVFJVKMBT-DOMZBBRYSA-N 1 1 243.354 2.351 20 30 BEEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072492 347728015 /nfs/dbraw/zinc/72/80/15/347728015.db2.gz NDOARRFFXMFTGB-QWRGUYRKSA-N 1 1 215.300 2.184 20 30 BEEDMO C[N@H+](CCC1CC1)Cc1ccncc1C#N ZINC000592083952 347730351 /nfs/dbraw/zinc/73/03/51/347730351.db2.gz JXZNCDPYLDTHPN-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO C[N@@H+](CCC1CC1)Cc1ccncc1C#N ZINC000592083952 347730354 /nfs/dbraw/zinc/73/03/54/347730354.db2.gz JXZNCDPYLDTHPN-UHFFFAOYSA-N 1 1 215.300 2.185 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592088078 347731148 /nfs/dbraw/zinc/73/11/48/347731148.db2.gz UAUMNRXVNFCGOY-STQMWFEESA-N 1 1 236.359 2.427 20 30 BEEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592058582 347731755 /nfs/dbraw/zinc/73/17/55/347731755.db2.gz HLYUGRFMSWQAAF-LLVKDONJSA-N 1 1 217.316 2.430 20 30 BEEDMO C[C@H]1C[N@H+](Cc2ccncc2C#N)CC[C@@H]1C ZINC000592090440 347731937 /nfs/dbraw/zinc/73/19/37/347731937.db2.gz SXWMMFZQCDUOTR-RYUDHWBXSA-N 1 1 229.327 2.431 20 30 BEEDMO C[C@@H]1CCSCC[N@@H+]1Cc1ccncc1C#N ZINC000592111425 347735460 /nfs/dbraw/zinc/73/54/60/347735460.db2.gz GBMMOGLNUVUYRX-LLVKDONJSA-N 1 1 247.367 2.281 20 30 BEEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccncc1C#N ZINC000592111425 347735464 /nfs/dbraw/zinc/73/54/64/347735464.db2.gz GBMMOGLNUVUYRX-LLVKDONJSA-N 1 1 247.367 2.281 20 30 BEEDMO CC1=C[C@H](C)C[N@H+](Cc2ccncc2C#N)C1 ZINC000592121609 347736440 /nfs/dbraw/zinc/73/64/40/347736440.db2.gz WJMQQVHKWPZPKX-NSHDSACASA-N 1 1 227.311 2.351 20 30 BEEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592121609 347736443 /nfs/dbraw/zinc/73/64/43/347736443.db2.gz WJMQQVHKWPZPKX-NSHDSACASA-N 1 1 227.311 2.351 20 30 BEEDMO C[C@H]1CC2(C[N@H+]1CCCC#N)CCOCC2 ZINC000592184408 347760167 /nfs/dbraw/zinc/76/01/67/347760167.db2.gz PMBGKYOKXBWWQQ-LBPRGKRZSA-N 1 1 222.332 2.181 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCC#N)CC2(CCCC2)O1 ZINC000592186154 347760884 /nfs/dbraw/zinc/76/08/84/347760884.db2.gz AIPHGGVENJDHHE-GFCCVEGCSA-N 1 1 222.332 2.324 20 30 BEEDMO CCCN(Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](C)C1 ZINC000592519950 347794422 /nfs/dbraw/zinc/79/44/22/347794422.db2.gz BLEKEUFVUBDZRA-LBPRGKRZSA-N 1 1 247.342 2.067 20 30 BEEDMO CCC[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(C)C1 ZINC000592519950 347794423 /nfs/dbraw/zinc/79/44/23/347794423.db2.gz BLEKEUFVUBDZRA-LBPRGKRZSA-N 1 1 247.342 2.067 20 30 BEEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(C)C1 ZINC000592519950 347794425 /nfs/dbraw/zinc/79/44/25/347794425.db2.gz BLEKEUFVUBDZRA-LBPRGKRZSA-N 1 1 247.342 2.067 20 30 BEEDMO CC[C@@H]1C[N@@H+](CCCSCC#N)[C@H](C)CO1 ZINC000593063385 347849131 /nfs/dbraw/zinc/84/91/31/347849131.db2.gz MGIDLZRQFMDKDQ-VXGBXAGGSA-N 1 1 242.388 2.133 20 30 BEEDMO CC(C)C[N@@H+](C)CCCNc1cnccc1C#N ZINC000593480556 347896109 /nfs/dbraw/zinc/89/61/09/347896109.db2.gz RPAUXUGNEMWMRJ-UHFFFAOYSA-N 1 1 246.358 2.343 20 30 BEEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000593697042 347930068 /nfs/dbraw/zinc/93/00/68/347930068.db2.gz JSQCPCXHBANJEV-NSHDSACASA-N 1 1 238.237 2.382 20 30 BEEDMO CC[C@@H](C#N)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000593737185 347939349 /nfs/dbraw/zinc/93/93/49/347939349.db2.gz SOFQGIFIZDBQQR-JTQLQIEISA-N 1 1 242.282 2.131 20 30 BEEDMO C=CC[C@@H]1CC[C@H]([N@H+](C)[C@H](C)C[S@@](C)=O)C1 ZINC000593614928 347915322 /nfs/dbraw/zinc/91/53/22/347915322.db2.gz IHYIKQWTMMVKGU-NFFDBFGFSA-N 1 1 243.416 2.430 20 30 BEEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000253092150 347993339 /nfs/dbraw/zinc/99/33/39/347993339.db2.gz KNUYGVUPKLHKPM-MGPQQGTHSA-N 1 1 248.370 2.306 20 30 BEEDMO C[C@H](O)C[N@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000594066370 347998036 /nfs/dbraw/zinc/99/80/36/347998036.db2.gz WHYNWHMTVALADC-JTQLQIEISA-N 1 1 248.301 2.043 20 30 BEEDMO C[C@H](O)C[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000594066370 347998038 /nfs/dbraw/zinc/99/80/38/347998038.db2.gz WHYNWHMTVALADC-JTQLQIEISA-N 1 1 248.301 2.043 20 30 BEEDMO N#CCC[NH2+]Cc1cccc2cccnc21 ZINC000020200079 187385690 /nfs/dbraw/zinc/38/56/90/187385690.db2.gz HLRVRLZSDXTQQK-UHFFFAOYSA-N 1 1 211.268 2.238 20 30 BEEDMO Cc1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000594614692 348083097 /nfs/dbraw/zinc/08/30/97/348083097.db2.gz JJICQVSCWSKCIZ-UHFFFAOYSA-N 1 1 236.319 2.140 20 30 BEEDMO Cc1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000594614692 348083098 /nfs/dbraw/zinc/08/30/98/348083098.db2.gz JJICQVSCWSKCIZ-UHFFFAOYSA-N 1 1 236.319 2.140 20 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C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000595298840 348217577 /nfs/dbraw/zinc/21/75/77/348217577.db2.gz TWWGMDJMNZKCAA-HNNXBMFYSA-N 1 1 244.338 2.212 20 30 BEEDMO CO[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595305984 348222374 /nfs/dbraw/zinc/22/23/74/348222374.db2.gz FLXUVYZSTFVBDH-HNNXBMFYSA-N 1 1 244.338 2.212 20 30 BEEDMO CC(C)[N@H+](CCc1ccc(C#N)cc1)C[C@H](C)O ZINC000595310827 348223673 /nfs/dbraw/zinc/22/36/73/348223673.db2.gz FTVOQNJJLKHUIK-ZDUSSCGKSA-N 1 1 246.354 2.192 20 30 BEEDMO CC[N@@H+](CCc1ccc(C#N)cc1)C[C@H](C)OC ZINC000595492938 348262083 /nfs/dbraw/zinc/26/20/83/348262083.db2.gz HXJPHGHTGIYUIR-ZDUSSCGKSA-N 1 1 246.354 2.458 20 30 BEEDMO C[C@H](C#N)C[N@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595390003 348242750 /nfs/dbraw/zinc/24/27/50/348242750.db2.gz SDMCFTVEDJZSKQ-KOLCDFICSA-N 1 1 244.285 2.035 20 30 BEEDMO C[C@H](C#N)C[N@@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000595390003 348242752 /nfs/dbraw/zinc/24/27/52/348242752.db2.gz SDMCFTVEDJZSKQ-KOLCDFICSA-N 1 1 244.285 2.035 20 30 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C=CC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459585410 203306716 /nfs/dbraw/zinc/30/67/16/203306716.db2.gz PCZLNVPPNHBPRM-CYBMUJFWSA-N 1 1 225.332 2.226 20 30 BEEDMO CC[N@@H+](CCCCC#N)[C@@H]1CCCOC1 ZINC000402846511 369392588 /nfs/dbraw/zinc/39/25/88/369392588.db2.gz QVKQKJCDMHZQLH-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCOC1 ZINC000401470064 369364001 /nfs/dbraw/zinc/36/40/01/369364001.db2.gz OJFCSIAWUODJSP-HNNXBMFYSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000361597289 369448339 /nfs/dbraw/zinc/44/83/39/369448339.db2.gz XWLZOKYCZILCQS-ZDUSSCGKSA-N 1 1 248.301 2.308 20 30 BEEDMO Cc1ncc(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000459681761 203335858 /nfs/dbraw/zinc/33/58/58/203335858.db2.gz XTIRNNMUXMPGEI-UHFFFAOYSA-N 1 1 241.294 2.453 20 30 BEEDMO CC(C)N1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459733619 203345703 /nfs/dbraw/zinc/34/57/03/203345703.db2.gz QOZYRNKDYGCIRL-UHFFFAOYSA-N 1 1 237.391 2.389 20 30 BEEDMO Cn1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000260043681 370967373 /nfs/dbraw/zinc/96/73/73/370967373.db2.gz NTLWPHGDDRLZRG-GFCCVEGCSA-N 1 1 217.316 2.151 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(C#N)cs1 ZINC000600170411 369511358 /nfs/dbraw/zinc/51/13/58/369511358.db2.gz XWQQFNNJDCBVRH-SNVBAGLBSA-N 1 1 238.356 2.213 20 30 BEEDMO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1C#N ZINC000600190844 369513803 /nfs/dbraw/zinc/51/38/03/369513803.db2.gz IVWJEKGGMHIEBE-OKILXGFUSA-N 1 1 212.296 2.318 20 30 BEEDMO C[N@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC000250381976 369519158 /nfs/dbraw/zinc/51/91/58/369519158.db2.gz JJMVIPKPQRSPAP-RWMBFGLXSA-N 1 1 222.332 2.180 20 30 BEEDMO C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[C@H]1C#N ZINC000250381976 369519160 /nfs/dbraw/zinc/51/91/60/369519160.db2.gz JJMVIPKPQRSPAP-RWMBFGLXSA-N 1 1 222.332 2.180 20 30 BEEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1C#N ZINC000619674751 369522415 /nfs/dbraw/zinc/52/24/15/369522415.db2.gz OGCTYCDFTXTRLM-UHFFFAOYSA-N 1 1 243.310 2.206 20 30 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/nfs/dbraw/zinc/98/10/63/383981063.db2.gz WUWGLADFQKFCKC-NEPJUHHUSA-N 1 1 247.404 2.096 20 30 BEEDMO C=CCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000560227541 383991970 /nfs/dbraw/zinc/99/19/70/383991970.db2.gz WKIMKFCWRQCNHL-LLVKDONJSA-N 1 1 220.320 2.011 20 30 BEEDMO C=CCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000560227541 383991975 /nfs/dbraw/zinc/99/19/75/383991975.db2.gz WKIMKFCWRQCNHL-LLVKDONJSA-N 1 1 220.320 2.011 20 30 BEEDMO C=CCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000560227545 383992282 /nfs/dbraw/zinc/99/22/82/383992282.db2.gz WKIMKFCWRQCNHL-NSHDSACASA-N 1 1 220.320 2.011 20 30 BEEDMO C=CCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000560227545 383992286 /nfs/dbraw/zinc/99/22/86/383992286.db2.gz WKIMKFCWRQCNHL-NSHDSACASA-N 1 1 220.320 2.011 20 30 BEEDMO C[C@H](CC#N)[N@H+](C)CCc1ccccc1 ZINC000049812471 384043022 /nfs/dbraw/zinc/04/30/22/384043022.db2.gz NIDXCKDTTPXXBW-GFCCVEGCSA-N 1 1 202.301 2.463 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccccc1 ZINC000049812471 384043035 /nfs/dbraw/zinc/04/30/35/384043035.db2.gz NIDXCKDTTPXXBW-GFCCVEGCSA-N 1 1 202.301 2.463 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccccc1C#N ZINC000287361961 384042963 /nfs/dbraw/zinc/04/29/63/384042963.db2.gz LYKUXRDGOWIBDH-GFCCVEGCSA-N 1 1 232.327 2.151 20 30 BEEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)COC ZINC000298914586 384080875 /nfs/dbraw/zinc/08/08/75/384080875.db2.gz NFTZAVOTSPHWER-GFCCVEGCSA-N 1 1 223.316 2.345 20 30 BEEDMO C=C(C)CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000560461152 384147956 /nfs/dbraw/zinc/14/79/56/384147956.db2.gz YUCMBTJXYRHIOL-ZDUSSCGKSA-N 1 1 227.348 2.078 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)s1 ZINC000560615784 384157985 /nfs/dbraw/zinc/15/79/85/384157985.db2.gz QNPRTRFWFOEPNM-NSHDSACASA-N 1 1 249.383 2.146 20 30 BEEDMO CC[C@H]1CN(C)CCN1Cc1ccc(C#N)s1 ZINC000560615784 384157987 /nfs/dbraw/zinc/15/79/87/384157987.db2.gz QNPRTRFWFOEPNM-NSHDSACASA-N 1 1 249.383 2.146 20 30 BEEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1)C1CC1 ZINC000299327029 384185523 /nfs/dbraw/zinc/18/55/23/384185523.db2.gz BFBBZHXPTLNPGL-UHFFFAOYSA-N 1 1 245.322 2.301 20 30 BEEDMO C=CCCCC[N@H+]1CCOCC2(CC2)C1 ZINC000569544868 384202080 /nfs/dbraw/zinc/20/20/80/384202080.db2.gz DFAAMAYXLMIRQM-UHFFFAOYSA-N 1 1 209.333 2.455 20 30 BEEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000158461944 384232088 /nfs/dbraw/zinc/23/20/88/384232088.db2.gz VKUJAVWEDSYZQQ-UHFFFAOYSA-N 1 1 237.730 2.006 20 30 BEEDMO CC[C@]1(O)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000336589283 384238012 /nfs/dbraw/zinc/23/80/12/384238012.db2.gz BJTVYLIFVJADHN-WFASDCNBSA-N 1 1 244.338 2.466 20 30 BEEDMO CC#CC[N@H+](C)CCOc1ccc(OC)cc1 ZINC000158484407 384238205 /nfs/dbraw/zinc/23/82/05/384238205.db2.gz JSWOALVKXQWJED-UHFFFAOYSA-N 1 1 233.311 2.029 20 30 BEEDMO CC[N@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000042454451 384223730 /nfs/dbraw/zinc/22/37/30/384223730.db2.gz RGMUBVDSRBMYDE-UHFFFAOYSA-N 1 1 247.298 2.373 20 30 BEEDMO CC[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000042454451 384223734 /nfs/dbraw/zinc/22/37/34/384223734.db2.gz RGMUBVDSRBMYDE-UHFFFAOYSA-N 1 1 247.298 2.373 20 30 BEEDMO C#CC[N@H+](CCCCCO)C1CCCCC1 ZINC000490606276 384253960 /nfs/dbraw/zinc/25/39/60/384253960.db2.gz XCFPTYYEEJJLRP-UHFFFAOYSA-N 1 1 223.360 2.417 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000069683542 384271659 /nfs/dbraw/zinc/27/16/59/384271659.db2.gz JDPICMKDOBUGNC-CQSZACIVSA-N 1 1 229.323 2.335 20 30 BEEDMO C[C@@H]1CSCC[N@H+]1CCCSCC#N ZINC000173897617 384285774 /nfs/dbraw/zinc/28/57/74/384285774.db2.gz RHKAQWXVHFJQJO-SNVBAGLBSA-N 1 1 230.402 2.071 20 30 BEEDMO CCC[C@@H]([NH2+]CCCCC#N)C(=O)OCC ZINC000174056951 384297529 /nfs/dbraw/zinc/29/75/29/384297529.db2.gz VFTHNYIHHRHPGL-LLVKDONJSA-N 1 1 226.320 2.002 20 30 BEEDMO N#Cc1csc(C[NH2+]Cc2ccc(F)cn2)c1 ZINC000344893659 384335937 /nfs/dbraw/zinc/33/59/37/384335937.db2.gz BVZQLWNPUFEMJS-UHFFFAOYSA-N 1 1 247.298 2.444 20 30 BEEDMO C#CC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000490700393 384342909 /nfs/dbraw/zinc/34/29/09/384342909.db2.gz SLXBBHGXCZCXPM-JHJVBQTASA-N 1 1 221.344 2.145 20 30 BEEDMO C#CCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376558847 533056202 /nfs/dbraw/zinc/05/62/02/533056202.db2.gz QNMKZXDHJUIIIF-OCCSQVGLSA-N 1 1 214.312 2.488 20 30 BEEDMO C#CC[N@H+](CC)C[C@H](O)c1cc(C)cc(C)c1 ZINC000490743009 384373128 /nfs/dbraw/zinc/37/31/28/384373128.db2.gz ZVGOYTYLCVNSHQ-HNNXBMFYSA-N 1 1 231.339 2.292 20 30 BEEDMO C=CCCC(=O)N(C)CCCn1cc[nH+]c1C ZINC000153684671 384407837 /nfs/dbraw/zinc/40/78/37/384407837.db2.gz VQNKXVUYPXYCHR-UHFFFAOYSA-N 1 1 235.331 2.006 20 30 BEEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248888365 384407925 /nfs/dbraw/zinc/40/79/25/384407925.db2.gz YERPFRJEJIBGPL-RWMBFGLXSA-N 1 1 237.343 2.226 20 30 BEEDMO CC#CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000159458517 384416597 /nfs/dbraw/zinc/41/65/97/384416597.db2.gz BOPDBURWOKGOPE-UHFFFAOYSA-N 1 1 228.339 2.222 20 30 BEEDMO COCC1([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000616768798 384456204 /nfs/dbraw/zinc/45/62/04/384456204.db2.gz NAYWDPUVZDISGK-UHFFFAOYSA-N 1 1 248.301 2.308 20 30 BEEDMO CCCCC(N)=[NH+]OCc1nccs1 ZINC000161283616 384479724 /nfs/dbraw/zinc/47/97/24/384479724.db2.gz RWVWRNVXBVMZJI-UHFFFAOYSA-N 1 1 213.306 2.122 20 30 BEEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC001645156804 1172638966 /nfs/dbraw/zinc/63/89/66/1172638966.db2.gz FGSKRYMITHHTHJ-LBPRGKRZSA-N 1 1 202.301 2.315 20 30 BEEDMO N#CCCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150847181 384514787 /nfs/dbraw/zinc/51/47/87/384514787.db2.gz XNLQHFBAUROQHM-AWEZNQCLSA-N 1 1 235.375 2.098 20 30 BEEDMO C=CCCCCC[N@H+](C)CCC(=O)NCC ZINC000150886242 384517393 /nfs/dbraw/zinc/51/73/93/384517393.db2.gz JZXDQWZBPFWWQM-UHFFFAOYSA-N 1 1 226.364 2.191 20 30 BEEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000151352429 384561173 /nfs/dbraw/zinc/56/11/73/384561173.db2.gz RBAHVJUOJIJXFH-NWDGAFQWSA-N 1 1 211.349 2.434 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000161896132 384539431 /nfs/dbraw/zinc/53/94/31/384539431.db2.gz NXPRQJZCNLOQNF-NSHDSACASA-N 1 1 230.311 2.355 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000161896132 384539436 /nfs/dbraw/zinc/53/94/36/384539436.db2.gz NXPRQJZCNLOQNF-NSHDSACASA-N 1 1 230.311 2.355 20 30 BEEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000161896250 384541510 /nfs/dbraw/zinc/54/15/10/384541510.db2.gz NXPRQJZCNLOQNF-LLVKDONJSA-N 1 1 230.311 2.355 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000161896250 384541515 /nfs/dbraw/zinc/54/15/15/384541515.db2.gz NXPRQJZCNLOQNF-LLVKDONJSA-N 1 1 230.311 2.355 20 30 BEEDMO CCCCC(N)=[NH+]OCc1nc(C(C)C)no1 ZINC000172412512 384584416 /nfs/dbraw/zinc/58/44/16/384584416.db2.gz UJUWKBYIBTUFLA-UHFFFAOYSA-N 1 1 240.307 2.172 20 30 BEEDMO CCOC[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000176325377 384604214 /nfs/dbraw/zinc/60/42/14/384604214.db2.gz OQRGETWTRONLAO-LBPRGKRZSA-N 1 1 210.321 2.039 20 30 BEEDMO CC[N@@H+](CCCOC(C)C)C[C@H](C)C#N ZINC000171500814 384594286 /nfs/dbraw/zinc/59/42/86/384594286.db2.gz AIPFWIJPXKIXJY-GFCCVEGCSA-N 1 1 212.337 2.283 20 30 BEEDMO C=CC[C@@H](CC)Nc1cc[nH+]c(N(C)C)n1 ZINC000309848899 384666865 /nfs/dbraw/zinc/66/68/65/384666865.db2.gz IBHYQAGKAVSYPF-SNVBAGLBSA-N 1 1 220.320 2.309 20 30 BEEDMO C=CCNC(=O)C[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000104965994 384725208 /nfs/dbraw/zinc/72/52/08/384725208.db2.gz MCLBHWXRLLHCLA-VXGBXAGGSA-N 1 1 238.375 2.188 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000491785131 384692723 /nfs/dbraw/zinc/69/27/23/384692723.db2.gz SBNBCDXRTQUIRQ-SNVBAGLBSA-N 1 1 249.285 2.066 20 30 BEEDMO C[C@@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000132088613 384718313 /nfs/dbraw/zinc/71/83/13/384718313.db2.gz ZTISHYOPSBFRFC-TZMCWYRMSA-N 1 1 243.354 2.208 20 30 BEEDMO C=CCCCC[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000518156665 384748516 /nfs/dbraw/zinc/74/85/16/384748516.db2.gz LZJZZLFJFADUGT-CHWSQXEVSA-N 1 1 211.349 2.293 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1 ZINC000491415948 384760738 /nfs/dbraw/zinc/76/07/38/384760738.db2.gz JDPNDDSCDNJZLM-GFCCVEGCSA-N 1 1 203.285 2.019 20 30 BEEDMO CCOC(=O)[C@H](C)[N@@H+](CCCCC#N)C1CC1 ZINC000190845776 384817294 /nfs/dbraw/zinc/81/72/94/384817294.db2.gz JVIUVZPJNWUTHR-NSHDSACASA-N 1 1 238.331 2.096 20 30 BEEDMO CC#CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000155954228 384783453 /nfs/dbraw/zinc/78/34/53/384783453.db2.gz RAVBQPBBNCVWQS-INIZCTEOSA-N 1 1 243.350 2.382 20 30 BEEDMO C=C(C)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000101567742 384798806 /nfs/dbraw/zinc/79/88/06/384798806.db2.gz JWIGBLBAIJORGR-UHFFFAOYSA-N 1 1 238.375 2.320 20 30 BEEDMO CCCC(N)=[NH+]OCc1csc(C)n1 ZINC000105605723 384874517 /nfs/dbraw/zinc/87/45/17/384874517.db2.gz YQKCUOPWZCTGED-UHFFFAOYSA-N 1 1 213.306 2.040 20 30 BEEDMO CCCC(N)=[NH+]OCC(=O)Nc1ccc(C)cc1 ZINC000105605246 384874985 /nfs/dbraw/zinc/87/49/85/384874985.db2.gz SUOBFDSALYRUMO-UHFFFAOYSA-N 1 1 249.314 2.022 20 30 BEEDMO CCCC(N)=[NH+]OCc1cccc(NC(C)=O)c1 ZINC000105605955 384876429 /nfs/dbraw/zinc/87/64/29/384876429.db2.gz QGLZPDBKPHYVOV-UHFFFAOYSA-N 1 1 249.314 2.234 20 30 BEEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)CC ZINC000177032212 384848766 /nfs/dbraw/zinc/84/87/66/384848766.db2.gz NCWAEQGGVIRHGT-ZDUSSCGKSA-N 1 1 226.364 2.409 20 30 BEEDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000179371866 384860682 /nfs/dbraw/zinc/86/06/82/384860682.db2.gz IHRQOCSMVGBTQS-SECBINFHSA-N 1 1 224.329 2.086 20 30 BEEDMO C[C@@H](O)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000127715598 384938612 /nfs/dbraw/zinc/93/86/12/384938612.db2.gz HKUHXNKCKITBGW-GFCCVEGCSA-N 1 1 246.354 2.300 20 30 BEEDMO C#CC[N@H+](CCOCC)Cc1ccc(F)cc1 ZINC000062363743 385008904 /nfs/dbraw/zinc/00/89/04/385008904.db2.gz BWYYWQUWSWQJNK-UHFFFAOYSA-N 1 1 235.302 2.297 20 30 BEEDMO COC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234712017 385019295 /nfs/dbraw/zinc/01/92/95/385019295.db2.gz SGFZRPJLXDVGST-NSHDSACASA-N 1 1 248.326 2.034 20 30 BEEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C)n1C ZINC000150877406 385069448 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/nfs/dbraw/zinc/46/35/80/387463580.db2.gz JPMIMVCNHLNXMA-UHFFFAOYSA-N 1 1 231.343 2.137 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccc(F)nc1C ZINC000278554827 387541788 /nfs/dbraw/zinc/54/17/88/387541788.db2.gz VLMFHOLZUFJUIP-UHFFFAOYSA-N 1 1 214.671 2.371 20 30 BEEDMO COC1(C[N@@H+](C)C[C@@H](C)C#N)CCCC1 ZINC000361563339 387492051 /nfs/dbraw/zinc/49/20/51/387492051.db2.gz GCUTUFJOJGZBHT-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO CSCC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000152575435 387591782 /nfs/dbraw/zinc/59/17/82/387591782.db2.gz LZYOMTQOWNKSRY-UHFFFAOYSA-N 1 1 238.331 2.492 20 30 BEEDMO CSCC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000152575435 387591785 /nfs/dbraw/zinc/59/17/85/387591785.db2.gz LZYOMTQOWNKSRY-UHFFFAOYSA-N 1 1 238.331 2.492 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430275231 387606507 /nfs/dbraw/zinc/60/65/07/387606507.db2.gz AGLHQYZZYUTOHK-YPMHNXCESA-N 1 1 209.333 2.212 20 30 BEEDMO C=CCCCCC[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430291882 387609051 /nfs/dbraw/zinc/60/90/51/387609051.db2.gz VXYLPFDPJVBXNB-AWEZNQCLSA-N 1 1 238.375 2.191 20 30 BEEDMO C[C@]1(F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000347393789 387548322 /nfs/dbraw/zinc/54/83/22/387548322.db2.gz REGKYAAVWMVYRE-AWEZNQCLSA-N 1 1 248.301 2.371 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)c(F)c1 ZINC000347386468 387548413 /nfs/dbraw/zinc/54/84/13/387548413.db2.gz YHWJJPCBJVZOKB-UHFFFAOYSA-N 1 1 236.290 2.166 20 30 BEEDMO COCCCC[N@@H+](C)CCC(C)(C)C#N ZINC000397192974 387549692 /nfs/dbraw/zinc/54/96/92/387549692.db2.gz KIQIAVYBNWULTH-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000293828697 387632855 /nfs/dbraw/zinc/63/28/55/387632855.db2.gz AMHUYRBHXIOGSA-AWEZNQCLSA-N 1 1 248.326 2.398 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC1(CO)CC1 ZINC000186758484 387652125 /nfs/dbraw/zinc/65/21/25/387652125.db2.gz ZRCPIAFBQATBMI-UHFFFAOYSA-N 1 1 244.338 2.071 20 30 BEEDMO C#CC[N@@H+](C)CCCNc1nc(C)c(C)s1 ZINC000328014408 387656099 /nfs/dbraw/zinc/65/60/99/387656099.db2.gz QUIWPTKYWXKQQJ-UHFFFAOYSA-N 1 1 237.372 2.127 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000451910316 387678408 /nfs/dbraw/zinc/67/84/08/387678408.db2.gz MVSKFPQQFMEAIE-MCIONIFRSA-N 1 1 234.343 2.181 20 30 BEEDMO C=CCOCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451972085 387688384 /nfs/dbraw/zinc/68/83/84/387688384.db2.gz MHJZJRNJRATSBB-ZDUSSCGKSA-N 1 1 241.400 2.408 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000441363774 387750622 /nfs/dbraw/zinc/75/06/22/387750622.db2.gz YGLCSSBDKDTLHR-OLZOCXBDSA-N 1 1 227.348 2.078 20 30 BEEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1COC ZINC000452047198 387713023 /nfs/dbraw/zinc/71/30/23/387713023.db2.gz ZNMJXLWCMUZYJM-ZDUSSCGKSA-N 1 1 227.348 2.080 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](COC)CC1 ZINC000452073262 387726386 /nfs/dbraw/zinc/72/63/86/387726386.db2.gz ASKNMODVRGHXRV-ZIAGYGMSSA-N 1 1 241.375 2.062 20 30 BEEDMO C=CCCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441647339 387774003 /nfs/dbraw/zinc/77/40/03/387774003.db2.gz NABOSAJBZJHEQZ-QWHCGFSZSA-N 1 1 209.333 2.311 20 30 BEEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000160792708 387776328 /nfs/dbraw/zinc/77/63/28/387776328.db2.gz TWRUXTUJYQWGQX-UHFFFAOYSA-N 1 1 204.248 2.292 20 30 BEEDMO CN(C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353408360 387790090 /nfs/dbraw/zinc/79/00/90/387790090.db2.gz CXUOSYGJNMAWHV-HNNXBMFYSA-N 1 1 243.354 2.087 20 30 BEEDMO C=CCSCC[NH2+][C@H]1CCCCC[C@H]1N ZINC000422951041 387808324 /nfs/dbraw/zinc/80/83/24/387808324.db2.gz ZOTGNPZOMLDSJG-NEPJUHHUSA-N 1 1 228.405 2.155 20 30 BEEDMO N#C[C@@H]1CC[C@H]([NH2+]CCCN2CCCCC2)C1 ZINC000442648806 387808749 /nfs/dbraw/zinc/80/87/49/387808749.db2.gz LYFUAVCTYDVPMF-KGLIPLIRSA-N 1 1 235.375 2.144 20 30 BEEDMO CC(C)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442709965 387826199 /nfs/dbraw/zinc/82/61/99/387826199.db2.gz BMPZJHOQZIZQFE-KFWWJZLASA-N 1 1 249.402 2.389 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000442792508 387842092 /nfs/dbraw/zinc/84/20/92/387842092.db2.gz QHKAHXLGCAIREW-RDBSUJKOSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000442792508 387842096 /nfs/dbraw/zinc/84/20/96/387842096.db2.gz QHKAHXLGCAIREW-RDBSUJKOSA-N 1 1 247.386 2.285 20 30 BEEDMO COC[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000353590100 387815089 /nfs/dbraw/zinc/81/50/89/387815089.db2.gz CNOPSRMVRQKQDR-SNVBAGLBSA-N 1 1 236.340 2.088 20 30 BEEDMO C=CC[N@@H+](CCC1CCOCC1)C1CC1 ZINC000432779351 387816171 /nfs/dbraw/zinc/81/61/71/387816171.db2.gz HLDVLUWSCQGCHZ-UHFFFAOYSA-N 1 1 209.333 2.454 20 30 BEEDMO C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528357566 387908725 /nfs/dbraw/zinc/90/87/25/387908725.db2.gz ARRBCRDFMVFOMC-CHWSQXEVSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@H](NCC(C)(C)CCC#N)[C@H]1CCC[NH2+]1 ZINC000423136054 387914285 /nfs/dbraw/zinc/91/42/85/387914285.db2.gz YSHVDOVXCSDGSQ-NWDGAFQWSA-N 1 1 223.364 2.046 20 30 BEEDMO C=CC[C@H]1[N@@H+](Cc2cn(C)nn2)CCCC1(C)C ZINC000444793270 387931983 /nfs/dbraw/zinc/93/19/83/387931983.db2.gz RPBIOLDMFSHYSB-CYBMUJFWSA-N 1 1 248.374 2.382 20 30 BEEDMO C=CC(C)(C)C[NH2+][C@H]1CCCCC[C@H]1N ZINC000423155102 387935535 /nfs/dbraw/zinc/93/55/35/387935535.db2.gz PYGAGVQGGKRVIA-NEPJUHHUSA-N 1 1 210.365 2.448 20 30 BEEDMO C=CC[C@H]1[N@H+](CCCO)CCCC1(C)C ZINC000444787200 387923871 /nfs/dbraw/zinc/92/38/71/387923871.db2.gz QHTIXUGVTDLNLA-GFCCVEGCSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444770944 387927119 /nfs/dbraw/zinc/92/71/19/387927119.db2.gz MSCSLZMQUISOOZ-STQMWFEESA-N 1 1 238.375 2.045 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506147 387928938 /nfs/dbraw/zinc/92/89/38/387928938.db2.gz PEKUTZCQRIVXTK-GFCCVEGCSA-N 1 1 246.358 2.438 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506147 387928944 /nfs/dbraw/zinc/92/89/44/387928944.db2.gz PEKUTZCQRIVXTK-GFCCVEGCSA-N 1 1 246.358 2.438 20 30 BEEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179506147 387928949 /nfs/dbraw/zinc/92/89/49/387928949.db2.gz PEKUTZCQRIVXTK-GFCCVEGCSA-N 1 1 246.358 2.438 20 30 BEEDMO C=CC(C)(C)CN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423159268 387939953 /nfs/dbraw/zinc/93/99/53/387939953.db2.gz XSWDHNLUSIOFPY-NEPJUHHUSA-N 1 1 210.365 2.319 20 30 BEEDMO CC#CC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245467608 387947776 /nfs/dbraw/zinc/94/77/76/387947776.db2.gz KBVOFIKKXIRVPB-YVEFUNNKSA-N 1 1 249.379 2.440 20 30 BEEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000245467608 387947783 /nfs/dbraw/zinc/94/77/83/387947783.db2.gz KBVOFIKKXIRVPB-YVEFUNNKSA-N 1 1 249.379 2.440 20 30 BEEDMO C[C@H](CCCC#N)N1CC[NH+](C2CCC2)CC1 ZINC001172492315 974839952 /nfs/dbraw/zinc/83/99/52/974839952.db2.gz KHSQYUODCUYLNM-CYBMUJFWSA-N 1 1 235.375 2.239 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000245848954 387986406 /nfs/dbraw/zinc/98/64/06/387986406.db2.gz CNBUDEZNYXLHGJ-UPJWGTAASA-N 1 1 219.332 2.408 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548754351 388009258 /nfs/dbraw/zinc/00/92/58/388009258.db2.gz YYFBRWAAAYPTAM-XQQFMLRXSA-N 1 1 236.359 2.058 20 30 BEEDMO C=C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439781013 388019745 /nfs/dbraw/zinc/01/97/45/388019745.db2.gz IPXWNNLQHKBDCV-DGCLKSJQSA-N 1 1 236.359 2.084 20 30 BEEDMO CC(C)[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000446725575 388034042 /nfs/dbraw/zinc/03/40/42/388034042.db2.gz KDNMRPCXLSYXKB-STQMWFEESA-N 1 1 219.332 2.408 20 30 BEEDMO CC(C)[C@@H](N)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423273430 388053593 /nfs/dbraw/zinc/05/35/93/388053593.db2.gz KRCACHQLJPECTQ-CPCZMJQVSA-N 1 1 223.364 2.032 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1CCO ZINC000083640358 388056341 /nfs/dbraw/zinc/05/63/41/388056341.db2.gz XOWQPRVWCCXIRB-GFCCVEGCSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000160365821 388059355 /nfs/dbraw/zinc/05/93/55/388059355.db2.gz NRUCJKRVHCYTEO-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000160365821 388059359 /nfs/dbraw/zinc/05/93/59/388059359.db2.gz NRUCJKRVHCYTEO-QWRGUYRKSA-N 1 1 210.321 2.035 20 30 BEEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000447539200 388077535 /nfs/dbraw/zinc/07/75/35/388077535.db2.gz FUQCGXBMLLHQOB-BARDWOONSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000447539200 388077539 /nfs/dbraw/zinc/07/75/39/388077539.db2.gz FUQCGXBMLLHQOB-BARDWOONSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000447539200 388077542 /nfs/dbraw/zinc/07/75/42/388077542.db2.gz FUQCGXBMLLHQOB-BARDWOONSA-N 1 1 247.386 2.285 20 30 BEEDMO CCO[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000042422334 388093202 /nfs/dbraw/zinc/09/32/02/388093202.db2.gz JUCHRJUJIQFKAB-GFCCVEGCSA-N 1 1 210.321 2.181 20 30 BEEDMO C=C(C)C[N@@H+](CCOC)Cc1cncs1 ZINC000447846013 388097806 /nfs/dbraw/zinc/09/78/06/388097806.db2.gz VHXXIHUKYXMQRM-UHFFFAOYSA-N 1 1 226.345 2.168 20 30 BEEDMO C=C(C)C[N@H+](CCOC)Cc1cncs1 ZINC000447846013 388097807 /nfs/dbraw/zinc/09/78/07/388097807.db2.gz VHXXIHUKYXMQRM-UHFFFAOYSA-N 1 1 226.345 2.168 20 30 BEEDMO C=C(C)C[N@H+](CC)C[C@H](O)COCCCC ZINC000195130637 388098110 /nfs/dbraw/zinc/09/81/10/388098110.db2.gz BFXANIUMLYRKLQ-ZDUSSCGKSA-N 1 1 229.364 2.062 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000447871810 388099013 /nfs/dbraw/zinc/09/90/13/388099013.db2.gz MICHTWHUHJBKAH-RYUDHWBXSA-N 1 1 211.349 2.434 20 30 BEEDMO CC#CCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096885 388142309 /nfs/dbraw/zinc/14/23/09/388142309.db2.gz VGWLWTVGVCNYAJ-CYBMUJFWSA-N 1 1 221.344 2.291 20 30 BEEDMO C=CCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096314 388142755 /nfs/dbraw/zinc/14/27/55/388142755.db2.gz MWQFQJVCJYDGSI-LBPRGKRZSA-N 1 1 209.333 2.454 20 30 BEEDMO C[N@H+]1CCC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000093492636 388251852 /nfs/dbraw/zinc/25/18/52/388251852.db2.gz ALWWCSHOVURSOC-NSHDSACASA-N 1 1 249.383 2.051 20 30 BEEDMO CN1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492636 388251856 /nfs/dbraw/zinc/25/18/56/388251856.db2.gz ALWWCSHOVURSOC-NSHDSACASA-N 1 1 249.383 2.051 20 30 BEEDMO C#CC[N@@H+](CC)Cc1nc2ccc(F)cc2o1 ZINC000490818962 388255354 /nfs/dbraw/zinc/25/53/54/388255354.db2.gz DOQJGTFFGIYGBJ-UHFFFAOYSA-N 1 1 232.258 2.422 20 30 BEEDMO C#CC[N@H+](CC)Cc1nc2ccc(F)cc2o1 ZINC000490818962 388255356 /nfs/dbraw/zinc/25/53/56/388255356.db2.gz DOQJGTFFGIYGBJ-UHFFFAOYSA-N 1 1 232.258 2.422 20 30 BEEDMO C#CC[N@@H+](C[C@@H]1CCCOC1)C1CCCC1 ZINC000490821269 388255892 /nfs/dbraw/zinc/25/58/92/388255892.db2.gz SYKLNGQCQUHRGT-ZDUSSCGKSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[N@@H+](CC)CCc1ccc(F)c(F)c1 ZINC000490829635 388256316 /nfs/dbraw/zinc/25/63/16/388256316.db2.gz CYGLFGSDFAIACU-UHFFFAOYSA-N 1 1 223.266 2.462 20 30 BEEDMO C#CC[N@H+](CCCc1nc(C)no1)C1CCCC1 ZINC000490866466 388257317 /nfs/dbraw/zinc/25/73/17/388257317.db2.gz PGQFGHNPJJOCCM-UHFFFAOYSA-N 1 1 247.342 2.188 20 30 BEEDMO C=C(C)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000162496517 388189954 /nfs/dbraw/zinc/18/99/54/388189954.db2.gz MLSUHYCAHKPLAU-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C=C(C)CN(C)CCC[NH+]1CCCCC1 ZINC000162496517 388189957 /nfs/dbraw/zinc/18/99/57/388189957.db2.gz MLSUHYCAHKPLAU-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc2c[nH]nc21 ZINC000490898654 388258961 /nfs/dbraw/zinc/25/89/61/388258961.db2.gz LKAXAEHVHNAYBC-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO CCN1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449446971 388208579 /nfs/dbraw/zinc/20/85/79/388208579.db2.gz VBXZIDDJEQNFSP-AJNGGQMLSA-N 1 1 249.402 2.389 20 30 BEEDMO C=C(C)CC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000449473313 388214047 /nfs/dbraw/zinc/21/40/47/388214047.db2.gz HPHVJUDNMCAKRI-STQMWFEESA-N 1 1 210.365 2.273 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CCCC(=O)OCC ZINC000489444273 388215394 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583497126 /nfs/dbraw/zinc/49/71/26/583497126.db2.gz UNVYQBZOMGMPRL-RKDXNWHRSA-N 1 1 206.314 2.460 20 30 BEEDMO C[C@H]1C[N@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000894629159 583497274 /nfs/dbraw/zinc/49/72/74/583497274.db2.gz UNVYQBZOMGMPRL-IUCAKERBSA-N 1 1 206.314 2.460 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)[C@H]1C ZINC000894629159 583497276 /nfs/dbraw/zinc/49/72/76/583497276.db2.gz UNVYQBZOMGMPRL-IUCAKERBSA-N 1 1 206.314 2.460 20 30 BEEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1csc(C#N)c1 ZINC000894640692 583499529 /nfs/dbraw/zinc/49/95/29/583499529.db2.gz HRURVDFFVDMRDJ-GFCCVEGCSA-N 1 1 249.383 2.146 20 30 BEEDMO CCC1C[NH+](Cc2csc(C#N)c2)C1 ZINC000894812591 583523267 /nfs/dbraw/zinc/52/32/67/583523267.db2.gz DGGJGSIMXSYGAD-UHFFFAOYSA-N 1 1 206.314 2.462 20 30 BEEDMO N#Cc1cc(C[NH+]2CC3(C2)CCOCC3)cs1 ZINC000894829686 583527072 /nfs/dbraw/zinc/52/70/72/583527072.db2.gz DEJXSNVNAFYNAE-UHFFFAOYSA-N 1 1 248.351 2.232 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC000894861230 583534484 /nfs/dbraw/zinc/53/44/84/583534484.db2.gz CDDQURHKTPMBES-VXGBXAGGSA-N 1 1 243.354 2.464 20 30 BEEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000894861768 583535589 /nfs/dbraw/zinc/53/55/89/583535589.db2.gz AINZRZPDSYOMLJ-YPMHNXCESA-N 1 1 248.351 2.231 20 30 BEEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cs1 ZINC000894861768 583535591 /nfs/dbraw/zinc/53/55/91/583535591.db2.gz AINZRZPDSYOMLJ-YPMHNXCESA-N 1 1 248.351 2.231 20 30 BEEDMO CC1(N2CCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880473237 583541736 /nfs/dbraw/zinc/54/17/36/583541736.db2.gz ACWNSESRGAXQQL-KGLIPLIRSA-N 1 1 247.386 2.239 20 30 BEEDMO C=CCOCC[N@H+](CC)[C@H](CO)c1ccccc1 ZINC000880461913 583541895 /nfs/dbraw/zinc/54/18/95/583541895.db2.gz KUYPQCYDRWWQBJ-OAHLLOKOSA-N 1 1 249.354 2.245 20 30 BEEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(C2CC2)n1 ZINC000894967209 583559629 /nfs/dbraw/zinc/55/96/29/583559629.db2.gz RKNZQEIMAZIVAV-UHFFFAOYSA-N 1 1 244.342 2.081 20 30 BEEDMO Cn1ncc(C[NH2+]CC2(C#N)CCC2)c1C1CC1 ZINC000894968086 583560777 /nfs/dbraw/zinc/56/07/77/583560777.db2.gz YJAJDQHOJMIGBM-UHFFFAOYSA-N 1 1 244.342 2.081 20 30 BEEDMO Cc1ncoc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000895076232 583580954 /nfs/dbraw/zinc/58/09/54/583580954.db2.gz MIUKUXHKJBWPOD-UHFFFAOYSA-N 1 1 241.294 2.339 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CCCCC[C@H]1CO ZINC000895149728 583606099 /nfs/dbraw/zinc/60/60/99/583606099.db2.gz AMXZSLVTCIOCIU-STQMWFEESA-N 1 1 224.348 2.163 20 30 BEEDMO C=C(C)CC[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857867762 588915841 /nfs/dbraw/zinc/91/58/41/588915841.db2.gz JQLRXEDGIBGERN-LLVKDONJSA-N 1 1 205.305 2.343 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895201348 583624696 /nfs/dbraw/zinc/62/46/96/583624696.db2.gz BUHXIDHVCSCSPU-LBPRGKRZSA-N 1 1 229.327 2.063 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2nccn2C2CC2)C1 ZINC000895201348 583624697 /nfs/dbraw/zinc/62/46/97/583624697.db2.gz BUHXIDHVCSCSPU-LBPRGKRZSA-N 1 1 229.327 2.063 20 30 BEEDMO COc1ccc(C[NH+]2CC(CC#N)C2)c(C)c1 ZINC000895345059 583655200 /nfs/dbraw/zinc/65/52/00/583655200.db2.gz XYSPNANIKNHYFY-UHFFFAOYSA-N 1 1 230.311 2.349 20 30 BEEDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1csc(C#N)c1)C2 ZINC000895384758 583663070 /nfs/dbraw/zinc/66/30/70/583663070.db2.gz CABOZAVVAJSQMG-DGCLKSJQSA-N 1 1 248.351 2.088 20 30 BEEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)cs1 ZINC000895441889 583675384 /nfs/dbraw/zinc/67/53/84/583675384.db2.gz BECOPSBUXSZFLJ-VXGBXAGGSA-N 1 1 248.351 2.088 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(F)cc2C)C1 ZINC000895561997 583691647 /nfs/dbraw/zinc/69/16/47/583691647.db2.gz AIJXBSSOCOHGOP-GFCCVEGCSA-N 1 1 232.302 2.374 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000895562278 583691653 /nfs/dbraw/zinc/69/16/53/583691653.db2.gz CHLFZCFRXOVGHA-CYBMUJFWSA-N 1 1 241.334 2.467 20 30 BEEDMO C[N@@H+]1CC[C@H]1CNc1c(Cl)cccc1C#N ZINC000895772007 583725228 /nfs/dbraw/zinc/72/52/28/583725228.db2.gz VWWFHUZNKRBCDV-JTQLQIEISA-N 1 1 235.718 2.328 20 30 BEEDMO C[N@H+]1CC[C@H]1CNc1c(Cl)cccc1C#N ZINC000895772007 583725229 /nfs/dbraw/zinc/72/52/29/583725229.db2.gz VWWFHUZNKRBCDV-JTQLQIEISA-N 1 1 235.718 2.328 20 30 BEEDMO C#CC[N@H+](Cc1ccc(C)cc1O)C1CSC1 ZINC000895810692 583730521 /nfs/dbraw/zinc/73/05/21/583730521.db2.gz IKQHUJOASMOCQR-UHFFFAOYSA-N 1 1 247.363 2.251 20 30 BEEDMO C=CCCc1noc([C@@H]2CCc3c[nH+]cn3C2)n1 ZINC000896385903 583798051 /nfs/dbraw/zinc/79/80/51/583798051.db2.gz DFRDVDOWYOUSSB-SNVBAGLBSA-N 1 1 244.298 2.115 20 30 BEEDMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896500805 583807278 /nfs/dbraw/zinc/80/72/78/583807278.db2.gz ACDPRINAHZFZBW-LBPRGKRZSA-N 1 1 230.311 2.436 20 30 BEEDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC000896500805 583807280 /nfs/dbraw/zinc/80/72/80/583807280.db2.gz ACDPRINAHZFZBW-LBPRGKRZSA-N 1 1 230.311 2.436 20 30 BEEDMO C=CC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858031732 588930792 /nfs/dbraw/zinc/93/07/92/588930792.db2.gz HREBYZNMEGWYNJ-LBPRGKRZSA-N 1 1 218.300 2.029 20 30 BEEDMO CO[C@@](C)(C[N@H+]1CCC[C@@H](C#N)C1)C1CC1 ZINC000896503565 583807760 /nfs/dbraw/zinc/80/77/60/583807760.db2.gz LCLGSUJWKMEQCU-AAEUAGOBSA-N 1 1 222.332 2.037 20 30 BEEDMO C=C(Cl)CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858140378 588935102 /nfs/dbraw/zinc/93/51/02/588935102.db2.gz CENHZNSUFHXJJE-JTQLQIEISA-N 1 1 216.756 2.201 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896826965 583836990 /nfs/dbraw/zinc/83/69/90/583836990.db2.gz HEBBFMJWEVRTGF-GFCCVEGCSA-N 1 1 236.359 2.060 20 30 BEEDMO CCCCCCCC[N@@H+](C)CCC(N)=O ZINC000796589564 583863067 /nfs/dbraw/zinc/86/30/67/583863067.db2.gz FMXZLKRMQVEMBN-UHFFFAOYSA-N 1 1 214.353 2.154 20 30 BEEDMO CCO[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000897067343 583876381 /nfs/dbraw/zinc/87/63/81/583876381.db2.gz HXHBUZVZFFOOSD-NEPJUHHUSA-N 1 1 210.321 2.037 20 30 BEEDMO CC#CC[N@H+](C)Cc1cccc(OCC)c1O ZINC000897165721 583886709 /nfs/dbraw/zinc/88/67/09/583886709.db2.gz AVLDHGAZTKTTII-UHFFFAOYSA-N 1 1 233.311 2.246 20 30 BEEDMO CC#CC[N@H+](C)Cc1scnc1C1CC1 ZINC000897167152 583887111 /nfs/dbraw/zinc/88/71/11/583887111.db2.gz HNZBFPPOOWSRTI-UHFFFAOYSA-N 1 1 220.341 2.476 20 30 BEEDMO CC#CC[N@@H+](C)Cc1scnc1C1CC1 ZINC000897167152 583887114 /nfs/dbraw/zinc/88/71/14/583887114.db2.gz HNZBFPPOOWSRTI-UHFFFAOYSA-N 1 1 220.341 2.476 20 30 BEEDMO C#CC[N@H+](Cc1cn2cccc(F)c2n1)C(C)C ZINC000897171291 583888990 /nfs/dbraw/zinc/88/89/90/583888990.db2.gz VFMVUIAVHFIORM-UHFFFAOYSA-N 1 1 245.301 2.317 20 30 BEEDMO C#CC[N@@H+](Cc1cn2cccc(F)c2n1)C(C)C ZINC000897171291 583888993 /nfs/dbraw/zinc/88/89/93/583888993.db2.gz VFMVUIAVHFIORM-UHFFFAOYSA-N 1 1 245.301 2.317 20 30 BEEDMO C#CC[N@@H+](Cc1cccc2c1OCC2)C(C)C ZINC000897171149 583889204 /nfs/dbraw/zinc/88/92/04/583889204.db2.gz RMHNAKZCAGSUOD-UHFFFAOYSA-N 1 1 229.323 2.465 20 30 BEEDMO C#CC[N@H+](Cc1cn(CC)nc1C)C(C)C ZINC000897171328 583889445 /nfs/dbraw/zinc/88/94/45/583889445.db2.gz WDZYOIMKPJZAIR-UHFFFAOYSA-N 1 1 219.332 2.055 20 30 BEEDMO CC1(C)CC[N@@H+](CCNc2ccc(C#N)nc2)C1 ZINC000897248759 583902360 /nfs/dbraw/zinc/90/23/60/583902360.db2.gz AUDJSDOYPJUPFL-UHFFFAOYSA-N 1 1 244.342 2.097 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000862444511 583963186 /nfs/dbraw/zinc/96/31/86/583963186.db2.gz BCTCWUJZCGUSTE-SNVBAGLBSA-N 1 1 239.269 2.123 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2nccn2C(F)F)C1 ZINC000862444511 583963188 /nfs/dbraw/zinc/96/31/88/583963188.db2.gz BCTCWUJZCGUSTE-SNVBAGLBSA-N 1 1 239.269 2.123 20 30 BEEDMO c1cnn([NH+]=C2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000863163975 583979807 /nfs/dbraw/zinc/97/98/07/583979807.db2.gz VHMGAXBWLOZJLE-RYUDHWBXSA-N 1 1 233.315 2.314 20 30 BEEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897685682 584039250 /nfs/dbraw/zinc/03/92/50/584039250.db2.gz PIWRXVMMSDBPGO-TZMCWYRMSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897685680 584039530 /nfs/dbraw/zinc/03/95/30/584039530.db2.gz PIWRXVMMSDBPGO-JSGCOSHPSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897685136 584040615 /nfs/dbraw/zinc/04/06/15/584040615.db2.gz DQQPJDUQCAOHQE-DOMZBBRYSA-N 1 1 247.338 2.064 20 30 BEEDMO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cncs1 ZINC000897930366 584061668 /nfs/dbraw/zinc/06/16/68/584061668.db2.gz OPYXGSMJVVUZQW-VIFPVBQESA-N 1 1 244.323 2.261 20 30 BEEDMO C=CC(C)(C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000898457506 584137218 /nfs/dbraw/zinc/13/72/18/584137218.db2.gz OMWIFZCRSVCNKZ-UHFFFAOYSA-N 1 1 242.326 2.322 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000900010845 584265658 /nfs/dbraw/zinc/26/56/58/584265658.db2.gz XPIZALJQELFSRH-JTQLQIEISA-N 1 1 244.298 2.488 20 30 BEEDMO CS[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000901266901 584418244 /nfs/dbraw/zinc/41/82/44/584418244.db2.gz CIYVEEXMDZVXMN-JTQLQIEISA-N 1 1 209.318 2.393 20 30 BEEDMO CC(=[NH+]NC1CCC(C)(C)CC1)c1c[nH]c(N)n1 ZINC000901269808 584419010 /nfs/dbraw/zinc/41/90/10/584419010.db2.gz OGKACRKJVWGMFM-UHFFFAOYSA-N 1 1 249.362 2.274 20 30 BEEDMO C[C@H]1C(=NNC2CCC(F)(F)CC2)CC[N@H+]1C ZINC000901342316 584428199 /nfs/dbraw/zinc/42/81/99/584428199.db2.gz DPPZOBUJOAGUPM-VIFPVBQESA-N 1 1 245.317 2.234 20 30 BEEDMO C[C@H]1C(=NNC2CCC(F)(F)CC2)CC[N@@H+]1C ZINC000901342316 584428201 /nfs/dbraw/zinc/42/82/01/584428201.db2.gz DPPZOBUJOAGUPM-VIFPVBQESA-N 1 1 245.317 2.234 20 30 BEEDMO C=CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC000901315535 584428509 /nfs/dbraw/zinc/42/85/09/584428509.db2.gz VTGQNUZSAAPFES-TZMCWYRMSA-N 1 1 248.370 2.180 20 30 BEEDMO C=CC[N@H+](CN1Cc2ccccc2C1=O)C(C)C ZINC000902066121 584522151 /nfs/dbraw/zinc/52/21/51/584522151.db2.gz XPGOQGIGJAQYCX-UHFFFAOYSA-N 1 1 244.338 2.496 20 30 BEEDMO C=CC[N@@H+](CN1Cc2ccccc2C1=O)C(C)C ZINC000902066121 584522152 /nfs/dbraw/zinc/52/21/52/584522152.db2.gz XPGOQGIGJAQYCX-UHFFFAOYSA-N 1 1 244.338 2.496 20 30 BEEDMO C=CCCCCC[N@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902156839 584532072 /nfs/dbraw/zinc/53/20/72/584532072.db2.gz JBLBBWYHYCCHQA-STQMWFEESA-N 1 1 236.359 2.100 20 30 BEEDMO N#Cc1cncc(CO[NH+]=C(N)C2CCCC2)c1 ZINC000902212062 584535372 /nfs/dbraw/zinc/53/53/72/584535372.db2.gz XHVQPJRTCROSRR-UHFFFAOYSA-N 1 1 244.298 2.142 20 30 BEEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CC1 ZINC000902414599 584600517 /nfs/dbraw/zinc/60/05/17/584600517.db2.gz YEIIRRWTJYYDSK-CQSZACIVSA-N 1 1 241.338 2.017 20 30 BEEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(N)CC1 ZINC000902414599 584600519 /nfs/dbraw/zinc/60/05/19/584600519.db2.gz YEIIRRWTJYYDSK-CQSZACIVSA-N 1 1 241.338 2.017 20 30 BEEDMO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902473310 584601877 /nfs/dbraw/zinc/60/18/77/584601877.db2.gz XQFMDXNFVZORJR-QNWHQSFQSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCC[C@H](CC)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902473310 584601879 /nfs/dbraw/zinc/60/18/79/584601879.db2.gz XQFMDXNFVZORJR-QNWHQSFQSA-N 1 1 208.349 2.214 20 30 BEEDMO C=CCCC[N@H+](CC)CN1C[C@H](C)[C@H](C)C1=O ZINC000902668726 584654016 /nfs/dbraw/zinc/65/40/16/584654016.db2.gz FFCJYVPBLRVHBR-STQMWFEESA-N 1 1 238.375 2.346 20 30 BEEDMO C=CCCC[N@H+](CC)CN1C[C@H](C)CC1=O ZINC000902668693 584654077 /nfs/dbraw/zinc/65/40/77/584654077.db2.gz DEFYOAIPRBYXRY-GFCCVEGCSA-N 1 1 224.348 2.100 20 30 BEEDMO C=CCCC[N@H+](CC)CN1CCSC1=O ZINC000902668789 584654112 /nfs/dbraw/zinc/65/41/12/584654112.db2.gz GIXPWIDOZJQVIC-UHFFFAOYSA-N 1 1 228.361 2.401 20 30 BEEDMO C=CCCC[N@H+](CC)CN1CC(F)(F)CC1=O ZINC000902669897 584654289 /nfs/dbraw/zinc/65/42/89/584654289.db2.gz UBKVNJRAIDKJRX-UHFFFAOYSA-N 1 1 246.301 2.100 20 30 BEEDMO CCCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nn1 ZINC000903025995 584721357 /nfs/dbraw/zinc/72/13/57/584721357.db2.gz JVEZMQDZPMYYPZ-SDDRHHMPSA-N 1 1 247.346 2.031 20 30 BEEDMO N#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903087270 584725477 /nfs/dbraw/zinc/72/54/77/584725477.db2.gz DDIHTRHNULEPDX-LQDVMPOASA-N 1 1 247.386 2.428 20 30 BEEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(CO)c1 ZINC000903106836 584728363 /nfs/dbraw/zinc/72/83/63/584728363.db2.gz WPDDLTLUHGDSQX-NSHDSACASA-N 1 1 230.311 2.133 20 30 BEEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CC2 ZINC000903106909 584728516 /nfs/dbraw/zinc/72/85/16/584728516.db2.gz YIUQWIVVRJFYHR-CQSZACIVSA-N 1 1 237.306 2.439 20 30 BEEDMO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903107980 584728817 /nfs/dbraw/zinc/72/88/17/584728817.db2.gz JMASQAXJNBPCIB-LLVKDONJSA-N 1 1 246.358 2.463 20 30 BEEDMO N#CC1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CCCC1 ZINC000903108409 584728871 /nfs/dbraw/zinc/72/88/71/584728871.db2.gz BZLHGGDMFQZHOD-GFCCVEGCSA-N 1 1 244.342 2.461 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ncccn2)C2CC2)C1 ZINC000903324399 584747305 /nfs/dbraw/zinc/74/73/05/584747305.db2.gz PMQTXACUZYHNNC-RAIGVLPGSA-N 1 1 242.326 2.210 20 30 BEEDMO CCCCCCC[N@@H+]1CCNC[C@@H]1CCOC ZINC000903832914 584805935 /nfs/dbraw/zinc/80/59/35/584805935.db2.gz SUYMOHUKFWDAEN-AWEZNQCLSA-N 1 1 242.407 2.267 20 30 BEEDMO CCCCCCC[N@H+]1CCNC[C@@H]1CCOC ZINC000903832914 584805936 /nfs/dbraw/zinc/80/59/36/584805936.db2.gz SUYMOHUKFWDAEN-AWEZNQCLSA-N 1 1 242.407 2.267 20 30 BEEDMO C=CCC[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000903956035 584832032 /nfs/dbraw/zinc/83/20/32/584832032.db2.gz FTKOUTIMWHPKDQ-WDEREUQCSA-N 1 1 232.318 2.176 20 30 BEEDMO CC[C@@H]1CCCC[C@@H]1C=NN1CC[NH+](C)CC1 ZINC000842521968 584898146 /nfs/dbraw/zinc/89/81/46/584898146.db2.gz GBNYPACKNMGIFK-ZIAGYGMSSA-N 1 1 237.391 2.436 20 30 BEEDMO Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](C)C#N)c1 ZINC000819047905 584998973 /nfs/dbraw/zinc/99/89/73/584998973.db2.gz RLRNAOHGZGEOSC-GXTWGEPZSA-N 1 1 232.327 2.086 20 30 BEEDMO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000819281451 585000740 /nfs/dbraw/zinc/00/07/40/585000740.db2.gz UPLQAEMYBHVEOZ-ZDUSSCGKSA-N 1 1 248.301 2.061 20 30 BEEDMO C#CC[N@H+](C[C@@H](O)C1CC1)C1CCCCC1 ZINC000838800245 585069027 /nfs/dbraw/zinc/06/90/27/585069027.db2.gz VCMNGJMAWXEFAI-CQSZACIVSA-N 1 1 221.344 2.025 20 30 BEEDMO C=CCCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788117456 585073546 /nfs/dbraw/zinc/07/35/46/585073546.db2.gz LLTHUOYEUYRNMK-NEPJUHHUSA-N 1 1 223.316 2.123 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)C1CC1 ZINC000838865982 585076246 /nfs/dbraw/zinc/07/62/46/585076246.db2.gz UHHOZVYHWLXGIY-ZDUSSCGKSA-N 1 1 224.348 2.019 20 30 BEEDMO C#CC[N@H+](CC(C)(C)CC(=O)OCC)C1CC1 ZINC000839012690 585087406 /nfs/dbraw/zinc/08/74/06/585087406.db2.gz GGLBXFWGAAWDPP-UHFFFAOYSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCC[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000839044062 585090139 /nfs/dbraw/zinc/09/01/39/585090139.db2.gz XPCWEGCBIYRWOS-QWHCGFSZSA-N 1 1 237.343 2.206 20 30 BEEDMO C#CCC[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000839044062 585090140 /nfs/dbraw/zinc/09/01/40/585090140.db2.gz XPCWEGCBIYRWOS-QWHCGFSZSA-N 1 1 237.343 2.206 20 30 BEEDMO C#C[C@H]1COCC[N@@H+]1CCCCc1ccccc1 ZINC000839199570 585099121 /nfs/dbraw/zinc/09/91/21/585099121.db2.gz OUABOHSURSWIJK-INIZCTEOSA-N 1 1 243.350 2.343 20 30 BEEDMO C#C[C@H]1COCC[N@H+]1CCCCc1ccccc1 ZINC000839199570 585099122 /nfs/dbraw/zinc/09/91/22/585099122.db2.gz OUABOHSURSWIJK-INIZCTEOSA-N 1 1 243.350 2.343 20 30 BEEDMO C=CC[N@@H+](Cc1ccnc(N)c1)C(C)C ZINC000839467520 585104783 /nfs/dbraw/zinc/10/47/83/585104783.db2.gz UXZXBJJLQUSTJZ-UHFFFAOYSA-N 1 1 205.305 2.060 20 30 BEEDMO CC[N@H+]1CCC(=NNC2CCCC2)[C@@H](C)C1 ZINC000741463820 585113442 /nfs/dbraw/zinc/11/34/42/585113442.db2.gz JWIQUZRMGWXFGO-NSHDSACASA-N 1 1 223.364 2.236 20 30 BEEDMO CCCCCCC[N@@H+](CC)CC(=O)N(C)C ZINC000741788141 585118871 /nfs/dbraw/zinc/11/88/71/585118871.db2.gz OCDYCWUZQXGIFK-UHFFFAOYSA-N 1 1 228.380 2.367 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000886364117 585134633 /nfs/dbraw/zinc/13/46/33/585134633.db2.gz PEENYMJONAAFPV-HUUCEWRRSA-N 1 1 235.371 2.273 20 30 BEEDMO C=CC1CC[NH+](Cn2cc[nH]c2=S)CC1 ZINC000743363426 585136038 /nfs/dbraw/zinc/13/60/38/585136038.db2.gz HDTJNAGFRNZPAE-UHFFFAOYSA-N 1 1 223.345 2.027 20 30 BEEDMO C=CCCC[N@@H+](C)Cn1cc[nH]c1=S ZINC000743366702 585136050 /nfs/dbraw/zinc/13/60/50/585136050.db2.gz ZVIFCXVUDWYRRP-UHFFFAOYSA-N 1 1 211.334 2.027 20 30 BEEDMO C=CCCC[N@H+](C)Cn1cc[nH]c1=S ZINC000743366702 585136051 /nfs/dbraw/zinc/13/60/51/585136051.db2.gz ZVIFCXVUDWYRRP-UHFFFAOYSA-N 1 1 211.334 2.027 20 30 BEEDMO CC(C)C[N@H+](CCC#N)Cc1cccn1C ZINC000746693607 585172283 /nfs/dbraw/zinc/17/22/83/585172283.db2.gz FOCFRHCOUJKZHS-UHFFFAOYSA-N 1 1 219.332 2.397 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)Cc1cccn1C ZINC000746693607 585172284 /nfs/dbraw/zinc/17/22/84/585172284.db2.gz FOCFRHCOUJKZHS-UHFFFAOYSA-N 1 1 219.332 2.397 20 30 BEEDMO N#CCC1(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)CC1 ZINC000886819771 585180101 /nfs/dbraw/zinc/18/01/01/585180101.db2.gz WYVUYBVJQXHMMF-QWHCGFSZSA-N 1 1 234.343 2.181 20 30 BEEDMO C[C@H]1CC(=NN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000747735544 585183011 /nfs/dbraw/zinc/18/30/11/585183011.db2.gz AWTKXBWIMJJRDM-TXEJJXNPSA-N 1 1 223.364 2.046 20 30 BEEDMO N#Cc1csc(C[NH2+]Cc2cccc(F)n2)c1 ZINC000747934531 585185988 /nfs/dbraw/zinc/18/59/88/585185988.db2.gz GIUQNVVIZIMTFR-UHFFFAOYSA-N 1 1 247.298 2.444 20 30 BEEDMO CCC[C@@H](C)C(CC)=NN1CC[NH+](C)CC1 ZINC000748245629 585189589 /nfs/dbraw/zinc/18/95/89/585189589.db2.gz CIWSSGPSUJTVRX-GFCCVEGCSA-N 1 1 225.380 2.436 20 30 BEEDMO C[C@@H]1CC(C)(C)CCC1=NN1CC[NH+](C)CC1 ZINC000748247922 585189913 /nfs/dbraw/zinc/18/99/13/585189913.db2.gz ZBTSGHHPJXZKSG-GFCCVEGCSA-N 1 1 237.391 2.436 20 30 BEEDMO C#CC[N@@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000749155582 585199974 /nfs/dbraw/zinc/19/99/74/585199974.db2.gz WCUSWBCEBUAXRT-UHFFFAOYSA-N 1 1 242.322 2.282 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749562700 585203698 /nfs/dbraw/zinc/20/36/98/585203698.db2.gz RPROSOURNDYJDP-NEPJUHHUSA-N 1 1 229.751 2.487 20 30 BEEDMO C#CC[N@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000752074487 585241141 /nfs/dbraw/zinc/24/11/41/585241141.db2.gz CQOWJMUZRYDBAC-ZIAGYGMSSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000752074487 585241142 /nfs/dbraw/zinc/24/11/42/585241142.db2.gz CQOWJMUZRYDBAC-ZIAGYGMSSA-N 1 1 249.354 2.063 20 30 BEEDMO Cc1ccc(N=NC2C[N@H+](C)C[C@H]2C)cc1 ZINC000752156482 585242703 /nfs/dbraw/zinc/24/27/03/585242703.db2.gz AEBMSZBHAIRVTI-LLVKDONJSA-N 1 1 217.316 2.344 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ncccc1Cl ZINC000752163936 585243137 /nfs/dbraw/zinc/24/31/37/585243137.db2.gz GCYAXZVFHSDELJ-MRVPVSSYSA-N 1 1 238.722 2.084 20 30 BEEDMO C[C@H](N=NC1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000752165382 585243363 /nfs/dbraw/zinc/24/33/63/585243363.db2.gz WNSJPQIJPIURRD-RYUDHWBXSA-N 1 1 231.343 2.275 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1c(F)cccc1F ZINC000752166505 585243415 /nfs/dbraw/zinc/24/34/15/585243415.db2.gz WJUBLKRGYUAYJC-QMMMGPOBSA-N 1 1 239.269 2.314 20 30 BEEDMO C[C@@H]1C[N@H+](C)CC1=NNCCCc1ccccc1 ZINC000752166078 585243436 /nfs/dbraw/zinc/24/34/36/585243436.db2.gz XBQQFJFQIPLFEJ-CYBMUJFWSA-N 1 1 245.370 2.146 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1=NNCCCc1ccccc1 ZINC000752166078 585243437 /nfs/dbraw/zinc/24/34/37/585243437.db2.gz XBQQFJFQIPLFEJ-CYBMUJFWSA-N 1 1 245.370 2.146 20 30 BEEDMO C#CC[N@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753764541 585268496 /nfs/dbraw/zinc/26/84/96/585268496.db2.gz GHUPOMGGGAFASO-UHFFFAOYSA-N 1 1 207.317 2.089 20 30 BEEDMO COc1cc(C)cc(C[N@H+](C)C[C@H](C)C#N)c1O ZINC000754722073 585289899 /nfs/dbraw/zinc/28/98/99/585289899.db2.gz BLDUTILBIAJJPU-LLVKDONJSA-N 1 1 248.326 2.301 20 30 BEEDMO COc1cc(C)cc(C[N@@H+](C)C[C@H](C)C#N)c1O ZINC000754722073 585289900 /nfs/dbraw/zinc/28/99/00/585289900.db2.gz BLDUTILBIAJJPU-LLVKDONJSA-N 1 1 248.326 2.301 20 30 BEEDMO C#CCCC[N@H+](CCC)CC(=O)OC(C)(C)C ZINC000755314506 585297575 /nfs/dbraw/zinc/29/75/75/585297575.db2.gz BZBNITDALFLASG-UHFFFAOYSA-N 1 1 239.359 2.454 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)CCC ZINC000756552812 585320984 /nfs/dbraw/zinc/32/09/84/585320984.db2.gz KMXKNQLWPPCTPA-OLZOCXBDSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCC1CCC1 ZINC000756553704 585321093 /nfs/dbraw/zinc/32/10/93/585321093.db2.gz VDJAOESRMLJXLN-CQSZACIVSA-N 1 1 249.354 2.208 20 30 BEEDMO C#CC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000756997562 585326070 /nfs/dbraw/zinc/32/60/70/585326070.db2.gz XNRUXXRTVHCBNI-CYBMUJFWSA-N 1 1 225.295 2.264 20 30 BEEDMO C=C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC000757011117 585326566 /nfs/dbraw/zinc/32/65/66/585326566.db2.gz XUWWZPICLPBUEE-GFCCVEGCSA-N 1 1 226.364 2.189 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839618485 585332265 /nfs/dbraw/zinc/33/22/65/585332265.db2.gz KDAIWFUQSAKFQY-JTQLQIEISA-N 1 1 215.724 2.118 20 30 BEEDMO COc1cccc(O)c1C[NH2+]CC(C)(C)C#N ZINC000757907723 585346664 /nfs/dbraw/zinc/34/66/64/585346664.db2.gz WVJKNYQPUMUUCG-UHFFFAOYSA-N 1 1 234.299 2.040 20 30 BEEDMO C[C@@H]1CC(N=NC2CC2)C[N@H+]1Cc1ccccc1 ZINC000758133799 585350413 /nfs/dbraw/zinc/35/04/13/585350413.db2.gz UMOCKWZPLXMVLU-GFCCVEGCSA-N 1 1 243.354 2.389 20 30 BEEDMO C[C@@H]([N@@H+](C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000758188078 585351418 /nfs/dbraw/zinc/35/14/18/585351418.db2.gz YFPQAXGIOOKAJM-LLVKDONJSA-N 1 1 247.342 2.044 20 30 BEEDMO CCCCCCC[N@H+]1CCc2nn[nH]c2C1 ZINC000759521351 585374472 /nfs/dbraw/zinc/37/44/72/585374472.db2.gz XGFZGQTWDZOLTL-UHFFFAOYSA-N 1 1 222.336 2.133 20 30 BEEDMO CCCCCCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000759521351 585374473 /nfs/dbraw/zinc/37/44/73/585374473.db2.gz XGFZGQTWDZOLTL-UHFFFAOYSA-N 1 1 222.336 2.133 20 30 BEEDMO CCCCCCC[N@H+]1CCc2n[nH]nc2C1 ZINC000759521351 585374474 /nfs/dbraw/zinc/37/44/74/585374474.db2.gz XGFZGQTWDZOLTL-UHFFFAOYSA-N 1 1 222.336 2.133 20 30 BEEDMO C=CC[N@H+](Cc1ncc(C)cn1)C(C)C ZINC000760820748 585397783 /nfs/dbraw/zinc/39/77/83/585397783.db2.gz XODRDZVWAFTKBL-UHFFFAOYSA-N 1 1 205.305 2.181 20 30 BEEDMO C=CC[N@@H+](Cc1ncc(C)cn1)C(C)C ZINC000760820748 585397784 /nfs/dbraw/zinc/39/77/84/585397784.db2.gz XODRDZVWAFTKBL-UHFFFAOYSA-N 1 1 205.305 2.181 20 30 BEEDMO C#CCC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000760830194 585398409 /nfs/dbraw/zinc/39/84/09/585398409.db2.gz KZFDIBTVMOCUGM-LBPRGKRZSA-N 1 1 209.333 2.025 20 30 BEEDMO C#CCC[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000760842025 585399047 /nfs/dbraw/zinc/39/90/47/585399047.db2.gz UQEZFOLKTOGGPI-DGCLKSJQSA-N 1 1 209.333 2.145 20 30 BEEDMO C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)C[N@H+]1C ZINC000761795247 585418542 /nfs/dbraw/zinc/41/85/42/585418542.db2.gz YIEQFAQARCZBDZ-VIFPVBQESA-N 1 1 243.314 2.055 20 30 BEEDMO Cc1cccc(N=NC2C[C@H](C)[N@H+](C)C2)c1 ZINC000761792648 585418596 /nfs/dbraw/zinc/41/85/96/585418596.db2.gz FMKKFVDJWOOUSX-NSHDSACASA-N 1 1 217.316 2.487 20 30 BEEDMO Cc1cccc(N=NC2C[C@@H](C)[N@H+](C)C2)c1 ZINC000761792645 585418630 /nfs/dbraw/zinc/41/86/30/585418630.db2.gz FMKKFVDJWOOUSX-LLVKDONJSA-N 1 1 217.316 2.487 20 30 BEEDMO C[C@H]1CC(N=Nc2ccccc2)C[N@H+]1C ZINC000761794975 585418770 /nfs/dbraw/zinc/41/87/70/585418770.db2.gz UEZVTRNAUYCELI-JTQLQIEISA-N 1 1 203.289 2.179 20 30 BEEDMO C[C@H]1CC(N=Nc2ccccc2F)C[N@H+]1C ZINC000761803525 585418933 /nfs/dbraw/zinc/41/89/33/585418933.db2.gz CFIVZYVVKGRCEH-VIFPVBQESA-N 1 1 221.279 2.318 20 30 BEEDMO C[C@H]1CC(=NNCCCc2ccccc2)C[N@@H+]1C ZINC000761809921 585419100 /nfs/dbraw/zinc/41/91/00/585419100.db2.gz OXTQMDAPLLDTEM-ZDUSSCGKSA-N 1 1 245.370 2.289 20 30 BEEDMO C[C@H]1CC(=NNCCCc2ccccc2)C[N@H+]1C ZINC000761809921 585419101 /nfs/dbraw/zinc/41/91/01/585419101.db2.gz OXTQMDAPLLDTEM-ZDUSSCGKSA-N 1 1 245.370 2.289 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)COC2 ZINC000762795374 585437391 /nfs/dbraw/zinc/43/73/91/585437391.db2.gz VNKBNTYLHLUWIY-AWEZNQCLSA-N 1 1 230.311 2.499 20 30 BEEDMO CCCCCCCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000763886344 585456066 /nfs/dbraw/zinc/45/60/66/585456066.db2.gz USPREDGPBOSIKD-AWEZNQCLSA-N 1 1 243.391 2.430 20 30 BEEDMO C#CC[N@H+](CCN(C)c1ccccc1)C1CC1 ZINC000763950644 585457605 /nfs/dbraw/zinc/45/76/05/585457605.db2.gz NHGCDFIGFZLIQF-UHFFFAOYSA-N 1 1 228.339 2.220 20 30 BEEDMO Cc1cccc(CNN=C2C[C@@H](C)[N@@H+](C)C2)c1 ZINC000764713284 585471761 /nfs/dbraw/zinc/47/17/61/585471761.db2.gz AOSJMIMUZXKJGD-GFCCVEGCSA-N 1 1 231.343 2.165 20 30 BEEDMO Cc1cccc(CNN=C2C[C@@H](C)[N@H+](C)C2)c1 ZINC000764713284 585471762 /nfs/dbraw/zinc/47/17/62/585471762.db2.gz AOSJMIMUZXKJGD-GFCCVEGCSA-N 1 1 231.343 2.165 20 30 BEEDMO Fc1ccccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765572906 585489891 /nfs/dbraw/zinc/48/98/91/585489891.db2.gz PRSPVZBFUJTQSW-CYBMUJFWSA-N 1 1 233.290 2.462 20 30 BEEDMO C#CCOc1ccccc1C[N@@H+](C)CCCF ZINC000766074044 585497380 /nfs/dbraw/zinc/49/73/80/585497380.db2.gz ZPAXBPYHMPRADF-UHFFFAOYSA-N 1 1 235.302 2.490 20 30 BEEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000766087580 585497586 /nfs/dbraw/zinc/49/75/86/585497586.db2.gz IMQXRCVTEAFDRA-UHFFFAOYSA-N 1 1 248.355 2.472 20 30 BEEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000766087580 585497587 /nfs/dbraw/zinc/49/75/87/585497587.db2.gz IMQXRCVTEAFDRA-UHFFFAOYSA-N 1 1 248.355 2.472 20 30 BEEDMO CCCCCCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000766268293 585499348 /nfs/dbraw/zinc/49/93/48/585499348.db2.gz CWOLOJKDVOKNIN-CYBMUJFWSA-N 1 1 238.375 2.263 20 30 BEEDMO C=C(Cl)CN1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000766250680 585499575 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/nfs/dbraw/zinc/51/68/94/585516894.db2.gz BAARABQXQWUDNE-ZDUSSCGKSA-N 1 1 210.365 2.367 20 30 BEEDMO C=CCN(CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000767347576 585516895 /nfs/dbraw/zinc/51/68/95/585516895.db2.gz BAARABQXQWUDNE-ZDUSSCGKSA-N 1 1 210.365 2.367 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1cncc(C)c1 ZINC000767386060 585518892 /nfs/dbraw/zinc/51/88/92/585518892.db2.gz PFBKPQFFSAJFKA-UHFFFAOYSA-N 1 1 226.283 2.043 20 30 BEEDMO COc1cc(C[N@H+](C)C[C@@H](C)C#N)c(O)cc1C ZINC000768439753 585538415 /nfs/dbraw/zinc/53/84/15/585538415.db2.gz JICRXJKTNNCTDD-JTQLQIEISA-N 1 1 248.326 2.301 20 30 BEEDMO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(O)cc1C ZINC000768439753 585538416 /nfs/dbraw/zinc/53/84/16/585538416.db2.gz JICRXJKTNNCTDD-JTQLQIEISA-N 1 1 248.326 2.301 20 30 BEEDMO CCOc1ccc(O)c(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000768878786 585545455 /nfs/dbraw/zinc/54/54/55/585545455.db2.gz ROQPKDQVKICKLP-NSHDSACASA-N 1 1 248.326 2.382 20 30 BEEDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000768878786 585545456 /nfs/dbraw/zinc/54/54/56/585545456.db2.gz ROQPKDQVKICKLP-NSHDSACASA-N 1 1 248.326 2.382 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OCC)cc1O ZINC000769105732 585548983 /nfs/dbraw/zinc/54/89/83/585548983.db2.gz PGZUXCUFOJWGDU-UHFFFAOYSA-N 1 1 233.311 2.246 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(OCC)ccc1O ZINC000769110431 585549120 /nfs/dbraw/zinc/54/91/20/585549120.db2.gz FKRGHSZNGDYXMW-UHFFFAOYSA-N 1 1 233.311 2.246 20 30 BEEDMO C#CCCC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000769231129 585551654 /nfs/dbraw/zinc/55/16/54/585551654.db2.gz YCYFFZQKANAMCK-MRXNPFEDSA-N 1 1 241.400 2.023 20 30 BEEDMO C#CC[N@H+](CC#CC)CCc1ccccc1F ZINC000769477649 585558249 /nfs/dbraw/zinc/55/82/49/585558249.db2.gz XFDFDOUDADSNSE-UHFFFAOYSA-N 1 1 229.298 2.327 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCc1ccccc1F ZINC000769477649 585558250 /nfs/dbraw/zinc/55/82/50/585558250.db2.gz XFDFDOUDADSNSE-UHFFFAOYSA-N 1 1 229.298 2.327 20 30 BEEDMO CC(C)(C#N)CCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000769798582 585563958 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NQJDOIMBIDTNRK-UHFFFAOYSA-N 1 1 226.283 2.043 20 30 BEEDMO Fc1cccc2c1CCC2=NNc1cc[nH+]cc1 ZINC000779809014 585765843 /nfs/dbraw/zinc/76/58/43/585765843.db2.gz KDSPYGOHLZGRJK-UHFFFAOYSA-N 1 1 241.269 2.405 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1cccc(F)c1 ZINC000779809697 585765931 /nfs/dbraw/zinc/76/59/31/585765931.db2.gz SNRJRRPOVKFYCX-UHFFFAOYSA-N 1 1 229.258 2.479 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccccc1O ZINC000779809020 585765953 /nfs/dbraw/zinc/76/59/53/585765953.db2.gz CVUIHNDTJHLEKK-UHFFFAOYSA-N 1 1 227.267 2.045 20 30 BEEDMO C[C@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@H+]1C ZINC000779817108 585767002 /nfs/dbraw/zinc/76/70/02/585767002.db2.gz BXOGYWPDDYIJND-VIFPVBQESA-N 1 1 243.314 2.055 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781352691 585795143 /nfs/dbraw/zinc/79/51/43/585795143.db2.gz GDAIKUYESPDOCF-JTQLQIEISA-N 1 1 217.259 2.103 20 30 BEEDMO C[C@H]1C[N@H+](C)CC1=NN[C@H]1CCCC1(C)C ZINC000782289821 585814217 /nfs/dbraw/zinc/81/42/17/585814217.db2.gz WBHBTIZIJAVQMM-JQWIXIFHSA-N 1 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20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cccc(C)c1O ZINC000827822950 587404449 /nfs/dbraw/zinc/40/44/49/587404449.db2.gz IEDFDMAGVFGAOJ-UHFFFAOYSA-N 1 1 247.338 2.172 20 30 BEEDMO CC[N@@H+](CCC(=O)CC(C)C)C[C@H](C)C#N ZINC000827837476 587405328 /nfs/dbraw/zinc/40/53/28/587405328.db2.gz HQFHPKBNAVJNHV-GFCCVEGCSA-N 1 1 224.348 2.473 20 30 BEEDMO CC[N@H+](CCC(=O)CC(C)C)C[C@H](C)C#N ZINC000827837476 587405327 /nfs/dbraw/zinc/40/53/27/587405327.db2.gz HQFHPKBNAVJNHV-GFCCVEGCSA-N 1 1 224.348 2.473 20 30 BEEDMO C#CC[N@@H+](CC)CCc1c(F)cccc1F ZINC000827976782 587414354 /nfs/dbraw/zinc/41/43/54/587414354.db2.gz TZRUIWPHMANBRP-UHFFFAOYSA-N 1 1 223.266 2.462 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCc1c(F)cccc1F ZINC000828434274 587442209 /nfs/dbraw/zinc/44/22/09/587442209.db2.gz SMZPPACRZGTYCT-JTQLQIEISA-N 1 1 223.266 2.461 20 30 BEEDMO C#CCn1ccc(C[N@H+](CC)CC2=CCCC2)n1 ZINC000828443718 587442835 /nfs/dbraw/zinc/44/28/35/587442835.db2.gz HDOAAQTYWVFAJF-UHFFFAOYSA-N 1 1 243.354 2.449 20 30 BEEDMO C#CCn1ccc(C[N@@H+](CC)CC2=CCCC2)n1 ZINC000828443718 587442836 /nfs/dbraw/zinc/44/28/36/587442836.db2.gz HDOAAQTYWVFAJF-UHFFFAOYSA-N 1 1 243.354 2.449 20 30 BEEDMO C=CC[C@H]1[N@@H+](CC[S@](C)=O)CCCC1(C)C ZINC000829283979 587491217 /nfs/dbraw/zinc/49/12/17/587491217.db2.gz XAKXYRVMLWXHCL-WBMJQRKESA-N 1 1 243.416 2.432 20 30 BEEDMO C=CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829338243 587493362 /nfs/dbraw/zinc/49/33/62/587493362.db2.gz SGMKIVUFNOASKF-OAHLLOKOSA-N 1 1 231.339 2.328 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000829784739 587513751 /nfs/dbraw/zinc/51/37/51/587513751.db2.gz MPUGDVGZFQWEQB-CQSZACIVSA-N 1 1 235.371 2.417 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000829778326 587515102 /nfs/dbraw/zinc/51/51/02/587515102.db2.gz BDKASZWOMGFWHB-NSHDSACASA-N 1 1 249.276 2.301 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000829774367 587515381 /nfs/dbraw/zinc/51/53/81/587515381.db2.gz PKMRMEHZODAIAL-HOCLYGCPSA-N 1 1 243.350 2.455 20 30 BEEDMO 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C#CC[C@H]1CCC[N@H+](C[C@H](OC)C2CC2)C1 ZINC000829815469 587519310 /nfs/dbraw/zinc/51/93/10/587519310.db2.gz MKFNQKWYIIYDCX-JSGCOSHPSA-N 1 1 221.344 2.147 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)ncn2)C1 ZINC000829815004 587519321 /nfs/dbraw/zinc/51/93/21/587519321.db2.gz DNENVLPJBAKNJV-CYBMUJFWSA-N 1 1 229.327 2.020 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCC2(O)CCC2)C1 ZINC000829815295 587519734 /nfs/dbraw/zinc/51/97/34/587519734.db2.gz JDYFIFOAJANXJY-CYBMUJFWSA-N 1 1 221.344 2.027 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2csnn2)C1 ZINC000829815479 587519800 /nfs/dbraw/zinc/51/98/00/587519800.db2.gz MNKRTYSWKYMGEM-MNOVXSKESA-N 1 1 235.356 2.334 20 30 BEEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2csnn2)C1 ZINC000829815479 587519801 /nfs/dbraw/zinc/51/98/01/587519801.db2.gz MNKRTYSWKYMGEM-MNOVXSKESA-N 1 1 235.356 2.334 20 30 BEEDMO C=C(Cl)CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000830078658 587535085 /nfs/dbraw/zinc/53/50/85/587535085.db2.gz IWKRGWMCNUNEDQ-JTQLQIEISA-N 1 1 228.767 2.155 20 30 BEEDMO CCCCCCCC[N@@H+](C)CCNC(C)=O ZINC000830131183 587537994 /nfs/dbraw/zinc/53/79/94/587537994.db2.gz RLCYGGAEZLYFEL-UHFFFAOYSA-N 1 1 228.380 2.415 20 30 BEEDMO C#CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000830321358 587545803 /nfs/dbraw/zinc/54/58/03/587545803.db2.gz HUMQYKUJRUXZLM-UHFFFAOYSA-N 1 1 218.300 2.137 20 30 BEEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000830467994 587552374 /nfs/dbraw/zinc/55/23/74/587552374.db2.gz ZHJHCDYPSXFSBS-LBPRGKRZSA-N 1 1 234.274 2.133 20 30 BEEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000830467994 587552375 /nfs/dbraw/zinc/55/23/75/587552375.db2.gz ZHJHCDYPSXFSBS-LBPRGKRZSA-N 1 1 234.274 2.133 20 30 BEEDMO C#CCC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830853972 587574005 /nfs/dbraw/zinc/57/40/05/587574005.db2.gz GEZLNNHZTJMZMF-LBPRGKRZSA-N 1 1 207.317 2.043 20 30 BEEDMO C#CCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000831717838 587628934 /nfs/dbraw/zinc/62/89/34/587628934.db2.gz TXKPQYXBZLIBRV-KGLIPLIRSA-N 1 1 233.355 2.291 20 30 BEEDMO 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BEEDMO C#CC[C@@H]1CCC[N@H+](Cn2cc(Cl)cn2)C1 ZINC000842628988 588046586 /nfs/dbraw/zinc/04/65/86/588046586.db2.gz HUVPPMXHYYMZMQ-LLVKDONJSA-N 1 1 237.734 2.229 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CN2C(=O)CCC2(C)C)C1 ZINC000842629543 588046965 /nfs/dbraw/zinc/04/69/65/588046965.db2.gz PGJICGJWIJRNOJ-CYBMUJFWSA-N 1 1 248.370 2.080 20 30 BEEDMO C#CC1CC[NH+](Cn2cc(C)cnc2=S)CC1 ZINC000842633129 588047218 /nfs/dbraw/zinc/04/72/18/588047218.db2.gz BEXGKDYQNIKNFO-UHFFFAOYSA-N 1 1 247.367 2.224 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000843423751 588107728 /nfs/dbraw/zinc/10/77/28/588107728.db2.gz JGCAXIKUYJNMLT-LLVKDONJSA-N 1 1 220.341 2.378 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccn(C)c2)C1 ZINC000843423916 588107887 /nfs/dbraw/zinc/10/78/87/588107887.db2.gz LNPPZBCXERZNLP-CYBMUJFWSA-N 1 1 216.328 2.260 20 30 BEEDMO C=C(Br)C[NH2+]Cc1cccc(O)c1 ZINC000105453878 588174049 /nfs/dbraw/zinc/17/40/49/588174049.db2.gz OCVDLWMLZFLZDX-UHFFFAOYSA-N 1 1 242.116 2.390 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCC3)C1 ZINC000844347457 588186354 /nfs/dbraw/zinc/18/63/54/588186354.db2.gz QJKOBTUEDYPQMQ-CYBMUJFWSA-N 1 1 243.354 2.065 20 30 BEEDMO C#CCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000844363973 588187751 /nfs/dbraw/zinc/18/77/51/588187751.db2.gz MEJVUFRDMVXLGZ-VXGBXAGGSA-N 1 1 237.343 2.204 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436561 588193013 /nfs/dbraw/zinc/19/30/13/588193013.db2.gz HGLIREZWXJKKMK-NWDGAFQWSA-N 1 1 245.313 2.435 20 30 BEEDMO C=C[C@@H](C)O[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000844623311 588210078 /nfs/dbraw/zinc/21/00/78/588210078.db2.gz CJBIRFJJKNTIGH-MRVPVSSYSA-N 1 1 249.270 2.492 20 30 BEEDMO C=C[C@@H](C)O[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000844624358 588210856 /nfs/dbraw/zinc/21/08/56/588210856.db2.gz LMHAYMKJNUBCCR-LLVKDONJSA-N 1 1 246.314 2.002 20 30 BEEDMO C#CC[C@H]([NH2+][C@H]1CCCCC[C@H]1C)C(=O)OC ZINC000845983888 588252700 /nfs/dbraw/zinc/25/27/00/588252700.db2.gz XJDMEYCURRVWRH-AGIUHOORSA-N 1 1 237.343 2.110 20 30 BEEDMO C#CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1C)C(=O)OC ZINC000845983892 588252715 /nfs/dbraw/zinc/25/27/15/588252715.db2.gz XJDMEYCURRVWRH-AVGNSLFASA-N 1 1 237.343 2.110 20 30 BEEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000846010266 588253301 /nfs/dbraw/zinc/25/33/01/588253301.db2.gz HUVBDCKIJQXEME-OCCSQVGLSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000846010266 588253302 /nfs/dbraw/zinc/25/33/02/588253302.db2.gz HUVBDCKIJQXEME-OCCSQVGLSA-N 1 1 247.386 2.143 20 30 BEEDMO CC[N@H+]1CC[C@@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011775 588253411 /nfs/dbraw/zinc/25/34/11/588253411.db2.gz ZBMNSWXDQFJBBN-ZIAGYGMSSA-N 1 1 249.402 2.390 20 30 BEEDMO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@H+]1C1CC1 ZINC000846011019 588253463 /nfs/dbraw/zinc/25/34/63/588253463.db2.gz QNGQGZAEJQPZDJ-QWHCGFSZSA-N 1 1 247.386 2.285 20 30 BEEDMO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CN1C1CC1 ZINC000846011019 588253464 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ZINC000852319346 588677969 /nfs/dbraw/zinc/67/79/69/588677969.db2.gz KTQRQRXUASCPLH-LLVKDONJSA-N 1 1 233.290 2.346 20 30 BEEDMO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cscn1 ZINC000852416055 588681796 /nfs/dbraw/zinc/68/17/96/588681796.db2.gz BYSGCGIFYNCIQH-IUCAKERBSA-N 1 1 209.318 2.486 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000852495372 588685346 /nfs/dbraw/zinc/68/53/46/588685346.db2.gz JKLPZFALRVWQDL-HZSPNIEDSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852596820 588691461 /nfs/dbraw/zinc/69/14/61/588691461.db2.gz OCEQLXIRLPSJIE-ZIAGYGMSSA-N 1 1 221.344 2.291 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C(\C)C(=O)OC ZINC000852686582 588695750 /nfs/dbraw/zinc/69/57/50/588695750.db2.gz XYUNBPAWDXBHKJ-OMEBZCPDSA-N 1 1 235.327 2.289 20 30 BEEDMO C=C(Cl)C[N@@H+](C)CC1=CCSC1 ZINC000852746866 588699187 /nfs/dbraw/zinc/69/91/87/588699187.db2.gz SMKBCGYFFLWVPF-UHFFFAOYSA-N 1 1 203.738 2.344 20 30 BEEDMO C=C(Cl)C[N@H+](C)CC1=CCSC1 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2.151 20 30 BEEDMO N#Cc1ccc(Nc2ccc[nH+]c2N)s1 ZINC001212395145 967024317 /nfs/dbraw/zinc/02/43/17/967024317.db2.gz HHDYSPGIQKODCQ-UHFFFAOYSA-N 1 1 216.269 2.341 20 30 BEEDMO N#Cc1ccc(F)c(Nc2ccc[nH+]c2N)c1 ZINC001212401638 967053308 /nfs/dbraw/zinc/05/33/08/967053308.db2.gz CUBQBYVXWOWOIE-UHFFFAOYSA-N 1 1 228.230 2.418 20 30 BEEDMO Cc1cc(Nc2cc(C#N)ccc2O)c[nH+]c1N ZINC001249788862 967064247 /nfs/dbraw/zinc/06/42/47/967064247.db2.gz QPWYNMQDUHGTDL-UHFFFAOYSA-N 1 1 240.266 2.293 20 30 BEEDMO N#Cc1cc2c(ccn2-c2ccc[nH+]c2N)c(N)c1 ZINC001212403916 967064277 /nfs/dbraw/zinc/06/42/77/967064277.db2.gz AZKKTCNYQAWHTG-UHFFFAOYSA-N 1 1 249.277 2.062 20 30 BEEDMO C#CC[N@@H+](CC1CC1)C[C@]1(C)CCCCO1 ZINC001204640171 967107510 /nfs/dbraw/zinc/10/75/10/967107510.db2.gz CTIDJHLZWQBJHU-AWEZNQCLSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccn1C(F)F ZINC001204900474 967225408 /nfs/dbraw/zinc/22/54/08/967225408.db2.gz ZYHHAODWJJDSHG-UHFFFAOYSA-N 1 1 212.243 2.338 20 30 BEEDMO C[N@H+]1CCC=C(Cc2ccccc2C#N)C1 ZINC001250045091 967302197 /nfs/dbraw/zinc/30/21/97/967302197.db2.gz VZSBZJLIIZVHAS-UHFFFAOYSA-N 1 1 212.296 2.363 20 30 BEEDMO C=CCN1CCN(Cc2ccc(F)c(C)c2)CC1 ZINC001205187082 967416376 /nfs/dbraw/zinc/41/63/76/967416376.db2.gz MGDPIPFONNFRAR-UHFFFAOYSA-N 1 1 248.345 2.438 20 30 BEEDMO C[C@]1(O)CCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC000163171200 967524606 /nfs/dbraw/zinc/52/46/06/967524606.db2.gz BTFHLLQXDVPQSX-AWEZNQCLSA-N 1 1 248.301 2.044 20 30 BEEDMO CC(C)[NH+]1CC(OCc2cccc(C#N)c2)C1 ZINC001205589496 967713528 /nfs/dbraw/zinc/71/35/28/967713528.db2.gz HRRGCFRCFFMPOP-UHFFFAOYSA-N 1 1 230.311 2.167 20 30 BEEDMO CC(C)[N@H+]1CC[C@@H](OCCCCC#N)C1 ZINC001205665370 967745435 /nfs/dbraw/zinc/74/54/35/967745435.db2.gz YETMXPQVSVMBIK-GFCCVEGCSA-N 1 1 210.321 2.180 20 30 BEEDMO CCc1nc(C[NH2+][C@H]2CC[C@@H](C#N)C2)co1 ZINC001205840167 967849262 /nfs/dbraw/zinc/84/92/62/967849262.db2.gz JYAABTFULFRIPY-ZJUUUORDSA-N 1 1 219.288 2.019 20 30 BEEDMO CC(C)CCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001205971394 967912683 /nfs/dbraw/zinc/91/26/83/967912683.db2.gz UVHZFYZZYCHZHV-KLLCGCCRSA-N 1 1 239.359 2.052 20 30 BEEDMO CC(C)CCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001205971394 967912695 /nfs/dbraw/zinc/91/26/95/967912695.db2.gz UVHZFYZZYCHZHV-KLLCGCCRSA-N 1 1 239.359 2.052 20 30 BEEDMO C=CCC[N@H+](C)CCCN(C)C(=O)/C(C)=C\C ZINC001280803444 968005623 /nfs/dbraw/zinc/00/56/23/968005623.db2.gz YBJAASPGMUPDOX-QPEQYQDCSA-N 1 1 238.375 2.309 20 30 BEEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001273162871 968018352 /nfs/dbraw/zinc/01/83/52/968018352.db2.gz DTOXAJCYUCCIGN-ZIAGYGMSSA-N 1 1 248.370 2.038 20 30 BEEDMO C=CCN1CC[C@@]2(CCC[N@H+]2CCC2CC2)C1=O ZINC001273164007 968018996 /nfs/dbraw/zinc/01/89/96/968018996.db2.gz ROWRHGOONXQLDW-HNNXBMFYSA-N 1 1 248.370 2.039 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC001250739210 968204248 /nfs/dbraw/zinc/20/42/48/968204248.db2.gz KURKWWMFLJBNLO-GXTWGEPZSA-N 1 1 248.326 2.010 20 30 BEEDMO C=CCCCC[N@H+](C)Cc1ccnn1C ZINC001206355715 968255368 /nfs/dbraw/zinc/25/53/68/968255368.db2.gz YIMRTEUOJMNAMC-UHFFFAOYSA-N 1 1 207.321 2.208 20 30 BEEDMO COc1cnccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001206480275 968336226 /nfs/dbraw/zinc/33/62/26/968336226.db2.gz QEMLIXTZIKXDEL-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO CCN(CCC#N)Cc1[nH+]cc2ccccn21 ZINC001207051688 968578069 /nfs/dbraw/zinc/57/80/69/968578069.db2.gz QFSBIQHXTLXOCZ-UHFFFAOYSA-N 1 1 228.299 2.070 20 30 BEEDMO CCc1nccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001207088571 968621666 /nfs/dbraw/zinc/62/16/66/968621666.db2.gz QMZCFACAXXYXQN-LBPRGKRZSA-N 1 1 244.342 2.165 20 30 BEEDMO CCc1nccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001207088571 968621671 /nfs/dbraw/zinc/62/16/71/968621671.db2.gz QMZCFACAXXYXQN-LBPRGKRZSA-N 1 1 244.342 2.165 20 30 BEEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@H]1F ZINC001207102792 968629787 /nfs/dbraw/zinc/62/97/87/968629787.db2.gz HFWRYKCTFQEFPZ-ZWNOBZJWSA-N 1 1 235.306 2.077 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]1F ZINC001207102792 968629790 /nfs/dbraw/zinc/62/97/90/968629790.db2.gz HFWRYKCTFQEFPZ-ZWNOBZJWSA-N 1 1 235.306 2.077 20 30 BEEDMO Cn1cc(C[N@@H+]2CCCC[C@H](F)C2)cc1C#N ZINC001207103540 968635488 /nfs/dbraw/zinc/63/54/88/968635488.db2.gz WKCBSYSZVDUEAU-LBPRGKRZSA-N 1 1 235.306 2.221 20 30 BEEDMO Cn1cc(C[N@H+]2CCCC[C@H](F)C2)cc1C#N ZINC001207103540 968635489 /nfs/dbraw/zinc/63/54/89/968635489.db2.gz WKCBSYSZVDUEAU-LBPRGKRZSA-N 1 1 235.306 2.221 20 30 BEEDMO CCCC[N@@H+](CCC#N)Cc1cc[nH]c(=O)c1 ZINC001207122816 968642855 /nfs/dbraw/zinc/64/28/55/968642855.db2.gz VDIJAWGHSFXSHT-UHFFFAOYSA-N 1 1 233.315 2.303 20 30 BEEDMO Cc1nccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001207166506 968676501 /nfs/dbraw/zinc/67/65/01/968676501.db2.gz SIKLMSVCUYHCKB-DEZZGGKRSA-N 1 1 242.326 2.052 20 30 BEEDMO C#CC[N@@H+](C[C@H]1CC=CCC1)C1CSC1 ZINC001207218960 968685782 /nfs/dbraw/zinc/68/57/82/968685782.db2.gz VCIMATOATZKKLX-LBPRGKRZSA-N 1 1 221.369 2.393 20 30 BEEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462001 968733886 /nfs/dbraw/zinc/73/38/86/968733886.db2.gz UQOXCOJGZUUFGK-AWEZNQCLSA-N 1 1 244.338 2.019 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462001 968733890 /nfs/dbraw/zinc/73/38/90/968733890.db2.gz UQOXCOJGZUUFGK-AWEZNQCLSA-N 1 1 244.338 2.019 20 30 BEEDMO CC[N@H+](CCC#N)CCc1cccc(OC)c1 ZINC001207426934 968765755 /nfs/dbraw/zinc/76/57/55/968765755.db2.gz FIJUKDPXISFMKH-UHFFFAOYSA-N 1 1 232.327 2.473 20 30 BEEDMO CC[N@@H+](CCC#N)CCc1cccc(OC)c1 ZINC001207426934 968765764 /nfs/dbraw/zinc/76/57/64/968765764.db2.gz FIJUKDPXISFMKH-UHFFFAOYSA-N 1 1 232.327 2.473 20 30 BEEDMO COc1cccc(CC[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001207434844 968767636 /nfs/dbraw/zinc/76/76/36/968767636.db2.gz XTSVKELPZPWCNI-OAHLLOKOSA-N 1 1 244.338 2.473 20 30 BEEDMO COc1cccc(CC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001207434844 968767645 /nfs/dbraw/zinc/76/76/45/968767645.db2.gz XTSVKELPZPWCNI-OAHLLOKOSA-N 1 1 244.338 2.473 20 30 BEEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001252550923 968786108 /nfs/dbraw/zinc/78/61/08/968786108.db2.gz RLCYEFSIXCJYLX-AGIUHOORSA-N 1 1 209.333 2.045 20 30 BEEDMO CCC[N@@H+](CCC#N)C[C@H]1CCCOC1 ZINC001207467543 968789645 /nfs/dbraw/zinc/78/96/45/968789645.db2.gz LNYLHLVYWNKMAO-GFCCVEGCSA-N 1 1 210.321 2.039 20 30 BEEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1cccs1 ZINC001252555287 968795657 /nfs/dbraw/zinc/79/56/57/968795657.db2.gz RLAUAIOIXBSNIJ-NSHDSACASA-N 1 1 211.330 2.117 20 30 BEEDMO C=C[C@](C)(O)C[N@H+](C)CCc1cccc(OC)c1 ZINC001252554446 968796926 /nfs/dbraw/zinc/79/69/26/968796926.db2.gz GYSRUYWMDHDTHM-HNNXBMFYSA-N 1 1 249.354 2.107 20 30 BEEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001252556900 968799121 /nfs/dbraw/zinc/79/91/21/968799121.db2.gz GBGFBKIYEPPPHD-AVGNSLFASA-N 1 1 209.333 2.188 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000829179992 968821215 /nfs/dbraw/zinc/82/12/15/968821215.db2.gz QPBDPGNRTLZUDD-CHWSQXEVSA-N 1 1 249.402 2.389 20 30 BEEDMO C=CCC[C@@H](O)CNc1cccn2cc[nH+]c12 ZINC001252587539 968842174 /nfs/dbraw/zinc/84/21/74/968842174.db2.gz FLICMFCULLXEBP-LLVKDONJSA-N 1 1 231.299 2.073 20 30 BEEDMO C#CCCCNc1[nH+]c(C)cc(C)c1C(=O)OC ZINC001155013676 968847213 /nfs/dbraw/zinc/84/72/13/968847213.db2.gz AAEWJSFWPJKPBP-UHFFFAOYSA-N 1 1 246.310 2.310 20 30 BEEDMO C=CCC[C@H](O)CNc1c(C)cc[nH+]c1C ZINC001252591610 968848016 /nfs/dbraw/zinc/84/80/16/968848016.db2.gz XUYMPXMHHQVQJP-LBPRGKRZSA-N 1 1 220.316 2.437 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(O)ccc2C1 ZINC001252594952 968853573 /nfs/dbraw/zinc/85/35/73/968853573.db2.gz CQDBSLMGEDIQGW-HNNXBMFYSA-N 1 1 247.338 2.077 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)OC ZINC001252600025 968854480 /nfs/dbraw/zinc/85/44/80/968854480.db2.gz UOSGWQPJFZJNEV-CHWSQXEVSA-N 1 1 241.375 2.203 20 30 BEEDMO CC#CC[N@H+](C)Cc1ccc(C(=O)OC)c(C)c1 ZINC001207716057 968867784 /nfs/dbraw/zinc/86/77/84/968867784.db2.gz SJIWGTPWAYDDLK-UHFFFAOYSA-N 1 1 245.322 2.237 20 30 BEEDMO C=CCC[C@H](O)C[NH2+][C@@H]1CCCCC1(F)F ZINC001252617827 968877259 /nfs/dbraw/zinc/87/72/59/968877259.db2.gz LJBSQCYYISELHM-WDEREUQCSA-N 1 1 233.302 2.481 20 30 BEEDMO CCCC[N@H+](CCC#N)C[C@@H]1CCCO1 ZINC001207852723 968902502 /nfs/dbraw/zinc/90/25/02/968902502.db2.gz PTUPUKDSIZDPLD-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO CCCC[N@@H+](CCC#N)C[C@@H]1CCCO1 ZINC001207852723 968902510 /nfs/dbraw/zinc/90/25/10/968902510.db2.gz PTUPUKDSIZDPLD-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO CCCC[N@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC001207928377 968932628 /nfs/dbraw/zinc/93/26/28/968932628.db2.gz OZOUVXWLBPBEJS-LBPRGKRZSA-N 1 1 240.347 2.154 20 30 BEEDMO CCCC[N@@H+](CCC#N)C[C@H]1COC(C)(C)O1 ZINC001207928377 968932642 /nfs/dbraw/zinc/93/26/42/968932642.db2.gz OZOUVXWLBPBEJS-LBPRGKRZSA-N 1 1 240.347 2.154 20 30 BEEDMO CC1(C[N@H+]2CCC[C@@H](C#N)C2)CCOCC1 ZINC001207969660 968968938 /nfs/dbraw/zinc/96/89/38/968968938.db2.gz RADSNKAPEFKJDB-LBPRGKRZSA-N 1 1 222.332 2.039 20 30 BEEDMO COc1cc(C2=CC[N@@H+](C)CC2)cc(F)c1C#N ZINC001241333070 968981145 /nfs/dbraw/zinc/98/11/45/968981145.db2.gz QUVBSSCVROOIHX-UHFFFAOYSA-N 1 1 246.285 2.425 20 30 BEEDMO CCCCCCC/C=C/C[N@@H+](C)C[C@H](O)CO ZINC001208119912 969013166 /nfs/dbraw/zinc/01/31/66/969013166.db2.gz IVMKUJHTJMOXTG-HBWSCVEGSA-N 1 1 243.391 2.188 20 30 BEEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1CCC ZINC001323245337 1169931039 /nfs/dbraw/zinc/93/10/39/1169931039.db2.gz ZQUISDHZOFDOGZ-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCOCC1 ZINC001253228939 969116739 /nfs/dbraw/zinc/11/67/39/969116739.db2.gz ZPISHSBUUXVLDH-CQSZACIVSA-N 1 1 241.375 2.206 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208185845 969117920 /nfs/dbraw/zinc/11/79/20/969117920.db2.gz IZYRSJBTPBTGAG-OAHLLOKOSA-N 1 1 248.414 2.454 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC2(CN(C)C)CCCC2)C1 ZINC001208185845 969117931 /nfs/dbraw/zinc/11/79/31/969117931.db2.gz IZYRSJBTPBTGAG-OAHLLOKOSA-N 1 1 248.414 2.454 20 30 BEEDMO C=C[C@H](COC)[NH2+]Cc1cccnc1Cl ZINC000380294284 969152258 /nfs/dbraw/zinc/15/22/58/969152258.db2.gz CGMDRXRQIXOPBT-SNVBAGLBSA-N 1 1 226.707 2.026 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001253442214 969175264 /nfs/dbraw/zinc/17/52/64/969175264.db2.gz INIFBWXJBFRKDR-CQSZACIVSA-N 1 1 243.354 2.290 20 30 BEEDMO CCCCC[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001253540011 969211877 /nfs/dbraw/zinc/21/18/77/969211877.db2.gz CBINAKUCONGNRC-STQMWFEESA-N 1 1 224.348 2.163 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001253567013 969237793 /nfs/dbraw/zinc/23/77/93/969237793.db2.gz JKQDWQDMBCKIKE-ZDUSSCGKSA-N 1 1 237.730 2.245 20 30 BEEDMO CC(=O)C[N@@H+](C)CCCc1ccc(C#N)cc1 ZINC001208855451 969246716 /nfs/dbraw/zinc/24/67/16/969246716.db2.gz CJQYWYAHRKYLMD-UHFFFAOYSA-N 1 1 230.311 2.012 20 30 BEEDMO C[N@@H+]1CC=C(Nc2ccc(F)c(C#N)c2)CC1 ZINC001208837967 969251486 /nfs/dbraw/zinc/25/14/86/969251486.db2.gz LUXLGRCXPWWVFO-UHFFFAOYSA-N 1 1 231.274 2.329 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001253578778 969253145 /nfs/dbraw/zinc/25/31/45/969253145.db2.gz ICWBLFHJJQJHRX-UONOGXRCSA-N 1 1 249.379 2.323 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001253579195 969257211 /nfs/dbraw/zinc/25/72/11/969257211.db2.gz NQDJKGVPCPGLQF-AGIUHOORSA-N 1 1 209.333 2.045 20 30 BEEDMO C=C[C@@H](O)C[N@@H+](CC)CCc1ccc(OC)cc1 ZINC001253584028 969259914 /nfs/dbraw/zinc/25/99/14/969259914.db2.gz CRMUUAZEWYTURP-CQSZACIVSA-N 1 1 249.354 2.107 20 30 BEEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC001253582294 969261015 /nfs/dbraw/zinc/26/10/15/969261015.db2.gz NCGVFWWARFEWKP-MNOVXSKESA-N 1 1 223.341 2.432 20 30 BEEDMO C=C[C@@H](O)C[N@H+](C)CCCc1cccc(OC)c1 ZINC001253583533 969261476 /nfs/dbraw/zinc/26/14/76/969261476.db2.gz GLVBWHNMLMWCCB-CQSZACIVSA-N 1 1 249.354 2.107 20 30 BEEDMO C=C[C@@H](O)C[N@@H+](C)C/C=C/c1ccccc1 ZINC001253583838 969261858 /nfs/dbraw/zinc/26/18/58/969261858.db2.gz INDRBYWOGNWTNV-DNGMOHDESA-N 1 1 217.312 2.179 20 30 BEEDMO C=C[C@H](O)C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001253587143 969273646 /nfs/dbraw/zinc/27/36/46/969273646.db2.gz ZTMKTKYSYZOJEE-XQQFMLRXSA-N 1 1 229.323 2.120 20 30 BEEDMO C=C[C@H](O)C[N@H+]1CCC2(C1)CCCCC2 ZINC001253588718 969277155 /nfs/dbraw/zinc/27/71/55/969277155.db2.gz HKCJKPABDRQCJX-LBPRGKRZSA-N 1 1 209.333 2.190 20 30 BEEDMO C=C[C@@H](O)C[N@H+]1CCC2(C1)CCCCC2 ZINC001253588717 969278052 /nfs/dbraw/zinc/27/80/52/969278052.db2.gz HKCJKPABDRQCJX-GFCCVEGCSA-N 1 1 209.333 2.190 20 30 BEEDMO C[N@@H+]1CC=C(Nc2cc(F)c(C#N)c(F)c2)CC1 ZINC001208980768 969316642 /nfs/dbraw/zinc/31/66/42/969316642.db2.gz WTRZCURWECZGHC-UHFFFAOYSA-N 1 1 249.264 2.468 20 30 BEEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040397 969355607 /nfs/dbraw/zinc/35/56/07/969355607.db2.gz ZPOWCFFDOGFEEQ-VXGBXAGGSA-N 1 1 226.320 2.330 20 30 BEEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001209160989 969362559 /nfs/dbraw/zinc/36/25/59/969362559.db2.gz GCSHAZYSBWAXCO-AWEZNQCLSA-N 1 1 236.359 2.039 20 30 BEEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001209161792 969362938 /nfs/dbraw/zinc/36/29/38/969362938.db2.gz DWFKIHCSDNDPOT-CQSZACIVSA-N 1 1 232.327 2.421 20 30 BEEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001209161792 969362944 /nfs/dbraw/zinc/36/29/44/969362944.db2.gz DWFKIHCSDNDPOT-CQSZACIVSA-N 1 1 232.327 2.421 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001209160352 969363061 /nfs/dbraw/zinc/36/30/61/969363061.db2.gz SMHRJSNVSRDLFC-NWDGAFQWSA-N 1 1 225.332 2.226 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001209165728 969368158 /nfs/dbraw/zinc/36/81/58/969368158.db2.gz UTKGWBDDUIPASZ-LBPRGKRZSA-N 1 1 225.332 2.228 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001209203022 969387786 /nfs/dbraw/zinc/38/77/86/969387786.db2.gz KQQAZNRUNNVSNR-CHWSQXEVSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCCCC[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001209201585 969389363 /nfs/dbraw/zinc/38/93/63/969389363.db2.gz OMGYEMIXCAARCF-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CCCCC[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209207987 969398638 /nfs/dbraw/zinc/39/86/38/969398638.db2.gz IZAZLCCEKMLXTN-CYBMUJFWSA-N 1 1 247.342 2.286 20 30 BEEDMO C=CCCCC[N@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001209208641 969399320 /nfs/dbraw/zinc/39/93/20/969399320.db2.gz VVZYQULQQDKBLS-FRRDWIJNSA-N 1 1 237.343 2.369 20 30 BEEDMO COCCCC[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001209217491 969404600 /nfs/dbraw/zinc/40/46/00/969404600.db2.gz GASZCPRPEPVXTD-UHFFFAOYSA-N 1 1 244.338 2.343 20 30 BEEDMO C#CCCC[N@@H+](C)CC(=O)c1ccccc1 ZINC001209269397 969415804 /nfs/dbraw/zinc/41/58/04/969415804.db2.gz IYPDOAOXXUKDIQ-UHFFFAOYSA-N 1 1 215.296 2.215 20 30 BEEDMO C#CCCC[N@H+](C)CC(=O)c1ccccc1 ZINC001209269397 969415806 /nfs/dbraw/zinc/41/58/06/969415806.db2.gz IYPDOAOXXUKDIQ-UHFFFAOYSA-N 1 1 215.296 2.215 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001209268323 969420425 /nfs/dbraw/zinc/42/04/25/969420425.db2.gz YLIHUPANBTVNDO-OAHLLOKOSA-N 1 1 244.338 2.338 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001209269979 969422599 /nfs/dbraw/zinc/42/25/99/969422599.db2.gz SPAYYPKFNHOUHO-LBPRGKRZSA-N 1 1 247.342 2.225 20 30 BEEDMO N#C[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC001209322187 969442930 /nfs/dbraw/zinc/44/29/30/969442930.db2.gz WZCZQJYDJZHIKI-GFCCVEGCSA-N 1 1 226.323 2.247 20 30 BEEDMO C#CC[N@H+](C)CCCCCCC(=O)OCC ZINC001209352555 969447376 /nfs/dbraw/zinc/44/73/76/969447376.db2.gz UGPYFUUAGWHJKF-UHFFFAOYSA-N 1 1 225.332 2.065 20 30 BEEDMO C#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169115560 969450901 /nfs/dbraw/zinc/45/09/01/969450901.db2.gz KUHSEBYVQGDJQP-BTTYYORXSA-N 1 1 220.360 2.005 20 30 BEEDMO C=CCCCCC[N@@H+]1CCc2nccn2CC1 ZINC001209428236 969496960 /nfs/dbraw/zinc/49/69/60/969496960.db2.gz CRCZRSHKGIQXDU-UHFFFAOYSA-N 1 1 233.359 2.488 20 30 BEEDMO CCN1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001169263771 969521037 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ZINC001254646349 969760177 /nfs/dbraw/zinc/76/01/77/969760177.db2.gz AGVDXBMHHWSZQZ-GXFFZTMASA-N 1 1 246.285 2.290 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001254650598 969763454 /nfs/dbraw/zinc/76/34/54/969763454.db2.gz WAGALAZTNNPXJJ-ILXRZTDVSA-N 1 1 247.386 2.143 20 30 BEEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001254650598 969763457 /nfs/dbraw/zinc/76/34/57/969763457.db2.gz WAGALAZTNNPXJJ-ILXRZTDVSA-N 1 1 247.386 2.143 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccccc2)C1 ZINC001254655093 969765877 /nfs/dbraw/zinc/76/58/77/969765877.db2.gz YOYHEWJMIKYJSX-CABCVRRESA-N 1 1 244.338 2.173 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001254659377 969768867 /nfs/dbraw/zinc/76/88/67/969768867.db2.gz PCERXHBOESQZEV-DBIOUOCHSA-N 1 1 226.270 2.266 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCCCO3)C1 ZINC001254661826 969774689 /nfs/dbraw/zinc/77/46/89/969774689.db2.gz YCUIIOZJSMUXLY-RDBSUJKOSA-N 1 1 234.343 2.324 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001254670830 969777474 /nfs/dbraw/zinc/77/74/74/969777474.db2.gz MRFUYAZVWCKZTP-LVEVGFFFSA-N 1 1 208.280 2.111 20 30 BEEDMO CCC[N@H+](CCCN(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254675028 969778903 /nfs/dbraw/zinc/77/89/03/969778903.db2.gz DIUQCFBFVAUUEN-KGLIPLIRSA-N 1 1 237.391 2.342 20 30 BEEDMO CCC[N@@H+](CCCN(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254675028 969778906 /nfs/dbraw/zinc/77/89/06/969778906.db2.gz DIUQCFBFVAUUEN-KGLIPLIRSA-N 1 1 237.391 2.342 20 30 BEEDMO CC(C)[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(C)CC1 ZINC001254676031 969779487 /nfs/dbraw/zinc/77/94/87/969779487.db2.gz IGGUIHSKYXXGQB-DZGCQCFKSA-N 1 1 249.402 2.483 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ncccn2)C1 ZINC001254675221 969779568 /nfs/dbraw/zinc/77/95/68/969779568.db2.gz CMNCGMBWTNPUQP-JHJVBQTASA-N 1 1 242.326 2.306 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2c2ncccn2)C1 ZINC001254675221 969779574 /nfs/dbraw/zinc/77/95/74/969779574.db2.gz CMNCGMBWTNPUQP-JHJVBQTASA-N 1 1 242.326 2.306 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ncccn2)C1 ZINC001254675225 969779702 /nfs/dbraw/zinc/77/97/02/969779702.db2.gz CMNCGMBWTNPUQP-UPJWGTAASA-N 1 1 242.326 2.306 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2c2ncccn2)C1 ZINC001254675225 969779705 /nfs/dbraw/zinc/77/97/05/969779705.db2.gz CMNCGMBWTNPUQP-UPJWGTAASA-N 1 1 242.326 2.306 20 30 BEEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC001254673637 969780138 /nfs/dbraw/zinc/78/01/38/969780138.db2.gz MSGZBIMHZFITCU-LSGALXMHSA-N 1 1 234.343 2.320 20 30 BEEDMO CC(C)[C@H]1COCC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254675881 969780752 /nfs/dbraw/zinc/78/07/52/969780752.db2.gz GWPZZNYMIPTYAA-YNEHKIRRSA-N 1 1 222.332 2.035 20 30 BEEDMO CCC[N@H+](CCCN(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254675029 969781337 /nfs/dbraw/zinc/78/13/37/969781337.db2.gz DIUQCFBFVAUUEN-UONOGXRCSA-N 1 1 237.391 2.342 20 30 BEEDMO CCC[N@@H+](CCCN(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254675029 969781343 /nfs/dbraw/zinc/78/13/43/969781343.db2.gz DIUQCFBFVAUUEN-UONOGXRCSA-N 1 1 237.391 2.342 20 30 BEEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC001254673636 969782020 /nfs/dbraw/zinc/78/20/20/969782020.db2.gz MSGZBIMHZFITCU-IZXDZPFWSA-N 1 1 234.343 2.320 20 30 BEEDMO CC[N@@H+](C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677421 969784403 /nfs/dbraw/zinc/78/44/03/969784403.db2.gz SXYGMPPJCQHGTC-TZMCWYRMSA-N 1 1 235.375 2.095 20 30 BEEDMO N#Cc1ncccc1Nc1c[nH+]c2ccccn12 ZINC001210142225 969810318 /nfs/dbraw/zinc/81/03/18/969810318.db2.gz TVOOMLAWLCSCSB-UHFFFAOYSA-N 1 1 235.250 2.345 20 30 BEEDMO C#C[C@](C)(CC)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001169691474 969811945 /nfs/dbraw/zinc/81/19/45/969811945.db2.gz DRWOYCXTCSPJET-CQSZACIVSA-N 1 1 244.342 2.291 20 30 BEEDMO C#C[C@](C)(CC)Nc1nc2[nH]cc(C)c2c[nH+]1 ZINC001169693017 969813478 /nfs/dbraw/zinc/81/34/78/969813478.db2.gz SHAQMMSLCVETFH-CYBMUJFWSA-N 1 1 228.299 2.432 20 30 BEEDMO C=C[C@@H](CO)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC001169780352 969854310 /nfs/dbraw/zinc/85/43/10/969854310.db2.gz VBZVPNKLRWORAB-VIFPVBQESA-N 1 1 246.232 2.368 20 30 BEEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108898329 969907755 /nfs/dbraw/zinc/90/77/55/969907755.db2.gz KSJAIFHYIKHTID-RDBSUJKOSA-N 1 1 248.370 2.250 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc2cn(C)nc21 ZINC001255154416 969958122 /nfs/dbraw/zinc/95/81/22/969958122.db2.gz CLEKOSIUTMUSIS-CYBMUJFWSA-N 1 1 242.326 2.355 20 30 BEEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC001255165665 969976070 /nfs/dbraw/zinc/97/60/70/969976070.db2.gz ZURWSQFLHNCFLH-JQWIXIFHSA-N 1 1 233.315 2.433 20 30 BEEDMO C=CC[N@H+](C)CCN(CC)C(=O)CCC1CC1 ZINC001156672784 969976953 /nfs/dbraw/zinc/97/69/53/969976953.db2.gz XWTAFCYECAQPJO-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO CC[C@H](CC#N)[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001255167242 969979021 /nfs/dbraw/zinc/97/90/21/969979021.db2.gz WJWWGJVBFOFSAA-XQQFMLRXSA-N 1 1 222.332 2.180 20 30 BEEDMO 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245.326 2.424 20 30 BEEDMO N#CC1CCC([N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001256973837 984847520 /nfs/dbraw/zinc/84/75/20/984847520.db2.gz ZKYIGZIUBMYMAF-YIOUJQMASA-N 1 1 234.343 2.180 20 30 BEEDMO C[C@@H]1C[N@H+](C2CCC(C#N)CC2)CCCC1=O ZINC001256965349 984848428 /nfs/dbraw/zinc/84/84/28/984848428.db2.gz RVHXVFLXYKSQKX-PNESKVBLSA-N 1 1 234.343 2.370 20 30 BEEDMO CC(C)N1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001257218640 984853383 /nfs/dbraw/zinc/85/33/83/984853383.db2.gz VHIGJSFAZWSXTF-AWEZNQCLSA-N 1 1 249.402 2.485 20 30 BEEDMO CC(C)N1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001257218640 984853388 /nfs/dbraw/zinc/85/33/88/984853388.db2.gz VHIGJSFAZWSXTF-AWEZNQCLSA-N 1 1 249.402 2.485 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000685989327 985028147 /nfs/dbraw/zinc/02/81/47/985028147.db2.gz YABIDBOENPYHCK-GHMZBOCLSA-N 1 1 222.288 2.201 20 30 BEEDMO C=C(CC(C)C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001456174581 985123551 /nfs/dbraw/zinc/12/35/51/985123551.db2.gz 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C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@]1(C)O ZINC001254661738 986716855 /nfs/dbraw/zinc/71/68/55/986716855.db2.gz XKIIWXRVIJCRDO-SYQHCUMBSA-N 1 1 236.359 2.162 20 30 BEEDMO CC(C)[C@@H]1COCC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254668595 986718433 /nfs/dbraw/zinc/71/84/33/986718433.db2.gz GWPZZNYMIPTYAA-UPJWGTAASA-N 1 1 222.332 2.035 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001254674151 986721210 /nfs/dbraw/zinc/72/12/10/986721210.db2.gz UTKSADONFBJCRO-QLFBSQMISA-N 1 1 248.370 2.427 20 30 BEEDMO CC(C)[N@H+]1CCN([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC001254674865 986727495 /nfs/dbraw/zinc/72/74/95/986727495.db2.gz ABQFZNKKCQCWAG-IHRRRGAJSA-N 1 1 235.375 2.093 20 30 BEEDMO CC(C)N1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC001254674865 986727503 /nfs/dbraw/zinc/72/75/03/986727503.db2.gz ABQFZNKKCQCWAG-IHRRRGAJSA-N 1 1 235.375 2.093 20 30 BEEDMO CC(C)N1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC001254674865 986727510 /nfs/dbraw/zinc/72/75/10/986727510.db2.gz ABQFZNKKCQCWAG-IHRRRGAJSA-N 1 1 235.375 2.093 20 30 BEEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001255160486 986832084 /nfs/dbraw/zinc/83/20/84/986832084.db2.gz KQZQWMKVSVIAEP-KGLIPLIRSA-N 1 1 235.375 2.143 20 30 BEEDMO CC(C)(C)[C@@H]1CC[N@H+](CC2(C#N)CC2)CCO1 ZINC001308168255 987066622 /nfs/dbraw/zinc/06/66/22/987066622.db2.gz FVZGRIOVYWHMIC-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC2(C#N)CC2)CCO1 ZINC001308168255 987066629 /nfs/dbraw/zinc/06/66/29/987066629.db2.gz FVZGRIOVYWHMIC-LBPRGKRZSA-N 1 1 236.359 2.427 20 30 BEEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(C)=O)C1 ZINC001102628823 987227028 /nfs/dbraw/zinc/22/70/28/987227028.db2.gz LMBAINAYCPGXRP-TZMCWYRMSA-N 1 1 238.375 2.047 20 30 BEEDMO CCCCCCCC[C@H](O)C[NH2+]C1(C)CNC1 ZINC001245981609 987255416 /nfs/dbraw/zinc/25/54/16/987255416.db2.gz PZHGVQPNEUZERR-ZDUSSCGKSA-N 1 1 242.407 2.049 20 30 BEEDMO CCCCCCCC[C@@H](O)C[NH2+]CCNCC ZINC001245994992 987279874 /nfs/dbraw/zinc/27/98/74/987279874.db2.gz QRQWGNAJXJPLMR-CQSZACIVSA-N 1 1 244.423 2.297 20 30 BEEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@H](N)CC ZINC001246002762 987285655 /nfs/dbraw/zinc/28/56/55/987285655.db2.gz LXADIRVXQTXCEF-KGLIPLIRSA-N 1 1 244.423 2.425 20 30 BEEDMO CCCCCCCC[C@H](O)CNC[C@H]([NH3+])CC ZINC001246002762 987285664 /nfs/dbraw/zinc/28/56/64/987285664.db2.gz LXADIRVXQTXCEF-KGLIPLIRSA-N 1 1 244.423 2.425 20 30 BEEDMO Cc1nnc(C[NH2+][C@H](C)CC(C)(C)C#N)s1 ZINC000695862671 987338013 /nfs/dbraw/zinc/33/80/13/987338013.db2.gz GACYHCYZGHWNQS-MRVPVSSYSA-N 1 1 238.360 2.265 20 30 BEEDMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC001473170297 987358472 /nfs/dbraw/zinc/35/84/72/987358472.db2.gz HPXNOXLOLOBJJV-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C=C1C[C@@H]2CC([NH2+]CC(C)(C)N)C[C@H](C1)C2 ZINC001246099309 987413635 /nfs/dbraw/zinc/41/36/35/987413635.db2.gz HFTNXFQCNGSJFK-FUNVUKJBSA-N 1 1 222.376 2.448 20 30 BEEDMO C[C@@H]1CC[C@H](C[NH2+]C2CCC(CC#N)CC2)NC1 ZINC001246105836 987431589 /nfs/dbraw/zinc/43/15/89/987431589.db2.gz 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C[N@@H+](C[C@H]1CCCC[C@H]1O)CC1(CC#N)CC1 ZINC000602802367 349742741 /nfs/dbraw/zinc/74/27/41/349742741.db2.gz QGTMZESYMVHIEK-CHWSQXEVSA-N 1 1 236.359 2.163 20 30 BEEDMO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000602805196 349744034 /nfs/dbraw/zinc/74/40/34/349744034.db2.gz MODZCWRTJNEGHU-TZMCWYRMSA-N 1 1 236.359 2.427 20 30 BEEDMO CC1(C)CO[C@@H](C[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000602805196 349744036 /nfs/dbraw/zinc/74/40/36/349744036.db2.gz MODZCWRTJNEGHU-TZMCWYRMSA-N 1 1 236.359 2.427 20 30 BEEDMO CC[N@H+]1CC[C@@H](N(C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746327 /nfs/dbraw/zinc/74/63/27/349746327.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746338 /nfs/dbraw/zinc/74/63/38/349746338.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 1 1 249.402 2.485 20 30 BEEDMO CCN1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746340 /nfs/dbraw/zinc/74/63/40/349746340.db2.gz 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/nfs/dbraw/zinc/00/75/31/384007531.db2.gz BMWCZFSFBYGVEJ-CYBMUJFWSA-N 1 1 213.284 2.340 20 30 BEEDMO C[NH+](C)C1(CNCc2cccc(C#N)c2)CCC1 ZINC000097928423 384049155 /nfs/dbraw/zinc/04/91/55/384049155.db2.gz DGXSILDTWPDSAB-UHFFFAOYSA-N 1 1 243.354 2.132 20 30 BEEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091764111 384031509 /nfs/dbraw/zinc/03/15/09/384031509.db2.gz IXVONKHERXTTAC-UHFFFAOYSA-N 1 1 242.363 2.361 20 30 BEEDMO C#C[C@@H](CC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000229896364 259643615 /nfs/dbraw/zinc/64/36/15/259643615.db2.gz VUMOULFORURYCH-VIFPVBQESA-N 1 1 224.285 2.158 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000049772912 384039577 /nfs/dbraw/zinc/03/95/77/384039577.db2.gz UOWHYVPUDAKJJY-SNVBAGLBSA-N 1 1 231.723 2.014 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000049772912 384039582 /nfs/dbraw/zinc/03/95/82/384039582.db2.gz UOWHYVPUDAKJJY-SNVBAGLBSA-N 1 1 231.723 2.014 20 30 BEEDMO C=CCCCC[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000560318010 384061767 /nfs/dbraw/zinc/06/17/67/384061767.db2.gz XPINEYLERWNWRE-OLZOCXBDSA-N 1 1 236.359 2.038 20 30 BEEDMO CC[N@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186948030 384093548 /nfs/dbraw/zinc/09/35/48/384093548.db2.gz TVYRVVDXTAWEMI-UHFFFAOYSA-N 1 1 238.718 2.026 20 30 BEEDMO CC[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000186948030 384093555 /nfs/dbraw/zinc/09/35/55/384093555.db2.gz TVYRVVDXTAWEMI-UHFFFAOYSA-N 1 1 238.718 2.026 20 30 BEEDMO CN1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135180215 384168563 /nfs/dbraw/zinc/16/85/63/384168563.db2.gz KRQBSUNYPCGZFC-CYBMUJFWSA-N 1 1 237.391 2.248 20 30 BEEDMO C#CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377789082 533045423 /nfs/dbraw/zinc/04/54/23/533045423.db2.gz VAWODQNQTGOTDB-STQMWFEESA-N 1 1 219.328 2.043 20 30 BEEDMO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000070074542 384232069 /nfs/dbraw/zinc/23/20/69/384232069.db2.gz UWIAXGLPDNVAJN-WFASDCNBSA-N 1 1 243.354 2.117 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374556644 533049577 /nfs/dbraw/zinc/04/95/77/533049577.db2.gz NUDJJBZYRNJHPS-INIZCTEOSA-N 1 1 243.350 2.036 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)COC ZINC000299431983 384208941 /nfs/dbraw/zinc/20/89/41/384208941.db2.gz VHMGKVSIWPBPOB-ZDUSSCGKSA-N 1 1 217.312 2.157 20 30 BEEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000310332645 384213403 /nfs/dbraw/zinc/21/34/03/384213403.db2.gz KKKZRJRHHBZYAP-LLVKDONJSA-N 1 1 232.331 2.094 20 30 BEEDMO CN1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691359 384276946 /nfs/dbraw/zinc/27/69/46/384276946.db2.gz WPDYRNGBTXHEAH-NSHDSACASA-N 1 1 249.383 2.051 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(C#N)s1 ZINC000135690995 384278300 /nfs/dbraw/zinc/27/83/00/384278300.db2.gz YFGNXKWVUYFPSP-GWCFXTLKSA-N 1 1 249.383 2.050 20 30 BEEDMO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135690995 384278304 /nfs/dbraw/zinc/27/83/04/384278304.db2.gz YFGNXKWVUYFPSP-GWCFXTLKSA-N 1 1 249.383 2.050 20 30 BEEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1F ZINC000335301262 384274116 /nfs/dbraw/zinc/27/41/16/384274116.db2.gz MGZOCUUQLPXDNG-CYBMUJFWSA-N 1 1 248.301 2.044 20 30 BEEDMO C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000135691359 384276927 /nfs/dbraw/zinc/27/69/27/384276927.db2.gz WPDYRNGBTXHEAH-NSHDSACASA-N 1 1 249.383 2.051 20 30 BEEDMO C=CCCC[N@H+](C)Cc1ncccc1O ZINC000521317357 384279346 /nfs/dbraw/zinc/27/93/46/384279346.db2.gz DDYFVNHMUWAYRQ-UHFFFAOYSA-N 1 1 206.289 2.185 20 30 BEEDMO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426879570 384301496 /nfs/dbraw/zinc/30/14/96/384301496.db2.gz TXHPNIHKSIQTGE-CYBMUJFWSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426879571 384302156 /nfs/dbraw/zinc/30/21/56/384302156.db2.gz TXHPNIHKSIQTGE-ZDUSSCGKSA-N 1 1 236.359 2.038 20 30 BEEDMO C=CCOCC[NH2+][C@H](C)c1csc(C)n1 ZINC000308837174 384338934 /nfs/dbraw/zinc/33/89/34/384338934.db2.gz WZMAVVWFBXUTBM-SECBINFHSA-N 1 1 226.345 2.305 20 30 BEEDMO C#CCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376558845 533056241 /nfs/dbraw/zinc/05/62/41/533056241.db2.gz QNMKZXDHJUIIIF-GXTWGEPZSA-N 1 1 214.312 2.488 20 30 BEEDMO CSCCC[N@@H+](CCC#N)CC1CC1 ZINC000174697678 384351920 /nfs/dbraw/zinc/35/19/20/384351920.db2.gz GDZGFIWVTCAZDL-UHFFFAOYSA-N 1 1 212.362 2.365 20 30 BEEDMO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000308786672 384356624 /nfs/dbraw/zinc/35/66/24/384356624.db2.gz GLWDKHHTUHFFER-JHJVBQTASA-N 1 1 210.365 2.271 20 30 BEEDMO C=C(CC)C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000313494393 384424195 /nfs/dbraw/zinc/42/41/95/384424195.db2.gz HUTPRZXBMUQCDO-UHFFFAOYSA-N 1 1 222.336 2.089 20 30 BEEDMO CC#CC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159585742 384439288 /nfs/dbraw/zinc/43/92/88/384439288.db2.gz NKZNGAPNDUOQMQ-CQSZACIVSA-N 1 1 233.311 2.284 20 30 BEEDMO CC#CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159585742 384439296 /nfs/dbraw/zinc/43/92/96/384439296.db2.gz NKZNGAPNDUOQMQ-CQSZACIVSA-N 1 1 233.311 2.284 20 30 BEEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000582822056 384466185 /nfs/dbraw/zinc/46/61/85/384466185.db2.gz DMGMMICLCFMLOO-TXEJJXNPSA-N 1 1 229.327 2.431 20 30 BEEDMO CC#CC[N@@H+](CCc1nccs1)C(C)C ZINC000159910006 384526423 /nfs/dbraw/zinc/52/64/23/384526423.db2.gz IEENAJJYDCBXHJ-UHFFFAOYSA-N 1 1 222.357 2.419 20 30 BEEDMO C[C@@H]1COCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000335866439 384527277 /nfs/dbraw/zinc/52/72/77/384527277.db2.gz LPNQQDFIBQDFPX-LBPRGKRZSA-N 1 1 230.311 2.027 20 30 BEEDMO C=CCCCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000517855248 384531074 /nfs/dbraw/zinc/53/10/74/384531074.db2.gz DOBKHJALZXNCDU-IUODEOHRSA-N 1 1 229.389 2.043 20 30 BEEDMO CCCCC(N)=[NH+]OCc1ccn(C(C)C)n1 ZINC000172330910 384569644 /nfs/dbraw/zinc/56/96/44/384569644.db2.gz JDJMCPUMCRCMNN-UHFFFAOYSA-N 1 1 238.335 2.443 20 30 BEEDMO CCC[N@H+](C)C[C@@H]1CCN(CCCCC#N)C1 ZINC000176277369 384591397 /nfs/dbraw/zinc/59/13/97/384591397.db2.gz HOKVKKVHORMVGK-AWEZNQCLSA-N 1 1 237.391 2.344 20 30 BEEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCCCC#N)C1 ZINC000176277369 384591401 /nfs/dbraw/zinc/59/14/01/384591401.db2.gz HOKVKKVHORMVGK-AWEZNQCLSA-N 1 1 237.391 2.344 20 30 BEEDMO C[N@@H+](CCC1CC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000135278870 384634540 /nfs/dbraw/zinc/63/45/40/384634540.db2.gz BWPCSUITZWHSBJ-OAHLLOKOSA-N 1 1 244.338 2.324 20 30 BEEDMO CSCCC[N@@H+](C)CCCCC#N ZINC000300948836 384726801 /nfs/dbraw/zinc/72/68/01/384726801.db2.gz GXXSFPOFYONKQL-UHFFFAOYSA-N 1 1 200.351 2.365 20 30 BEEDMO CC#CCC[N@@H+](C)CCOc1ccccc1 ZINC000155064881 384691590 /nfs/dbraw/zinc/69/15/90/384691590.db2.gz VDVKFDNUSXDHLF-UHFFFAOYSA-N 1 1 217.312 2.411 20 30 BEEDMO CC(C)CC[N@H+](CCC#N)CCn1cccn1 ZINC000173547396 384692502 /nfs/dbraw/zinc/69/25/02/384692502.db2.gz ZLFRDRJQPSEJTI-UHFFFAOYSA-N 1 1 234.347 2.145 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)CCn1cccn1 ZINC000173547396 384692507 /nfs/dbraw/zinc/69/25/07/384692507.db2.gz ZLFRDRJQPSEJTI-UHFFFAOYSA-N 1 1 234.347 2.145 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363354315 384699460 /nfs/dbraw/zinc/69/94/60/384699460.db2.gz ZJXIFERHCSGIRF-CYBMUJFWSA-N 1 1 233.359 2.251 20 30 BEEDMO CC#CCC[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000155219081 384704491 /nfs/dbraw/zinc/70/44/91/384704491.db2.gz OYYKTHVQPDLKOG-UHFFFAOYSA-N 1 1 229.323 2.467 20 30 BEEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565841255 384710064 /nfs/dbraw/zinc/71/00/64/384710064.db2.gz OIEIHFYLGCZPKA-LLVKDONJSA-N 1 1 227.311 2.351 20 30 BEEDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335990401 384746821 /nfs/dbraw/zinc/74/68/21/384746821.db2.gz CRLQHUJZCRQGTN-OAHLLOKOSA-N 1 1 244.338 2.099 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(C)nc1C ZINC000491040652 384750095 /nfs/dbraw/zinc/75/00/95/384750095.db2.gz WGFZHDCYPVXNNY-UHFFFAOYSA-N 1 1 202.301 2.154 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C ZINC000491428634 384822771 /nfs/dbraw/zinc/82/27/71/384822771.db2.gz PSEACKCZRCVOAC-CYBMUJFWSA-N 1 1 244.338 2.277 20 30 BEEDMO C#C[C@H](CC)[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000491425738 384790225 /nfs/dbraw/zinc/79/02/25/384790225.db2.gz BYTICIURTXQAQW-SNVBAGLBSA-N 1 1 249.310 2.130 20 30 BEEDMO CC1(C)C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000083690518 384792443 /nfs/dbraw/zinc/79/24/43/384792443.db2.gz SSNASIIXKCRTPA-NSHDSACASA-N 1 1 237.372 2.257 20 30 BEEDMO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000083690518 384792447 /nfs/dbraw/zinc/79/24/47/384792447.db2.gz SSNASIIXKCRTPA-NSHDSACASA-N 1 1 237.372 2.257 20 30 BEEDMO C=CCCc1noc(C[NH+](CC)CC)n1 ZINC000297424919 384808031 /nfs/dbraw/zinc/80/80/31/384808031.db2.gz UXIZHWMGHHEOIZ-UHFFFAOYSA-N 1 1 209.293 2.030 20 30 BEEDMO C[N@H+](CCCSCC#N)Cc1nccs1 ZINC000175099072 384869853 /nfs/dbraw/zinc/86/98/53/384869853.db2.gz IRWAMFIVBULCHQ-UHFFFAOYSA-N 1 1 241.385 2.222 20 30 BEEDMO C[N@@H+](CCCSCC#N)Cc1nccs1 ZINC000175099072 384869859 /nfs/dbraw/zinc/86/98/59/384869859.db2.gz IRWAMFIVBULCHQ-UHFFFAOYSA-N 1 1 241.385 2.222 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000105605788 384877481 /nfs/dbraw/zinc/87/74/81/384877481.db2.gz CFYSQNVGGBAUPP-UHFFFAOYSA-N 1 1 235.262 2.286 20 30 BEEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000297785568 384921946 /nfs/dbraw/zinc/92/19/46/384921946.db2.gz GXHDCCFLSFDUAD-OLZOCXBDSA-N 1 1 238.375 2.354 20 30 BEEDMO C=CC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000497278887 384934177 /nfs/dbraw/zinc/93/41/77/384934177.db2.gz DDRYGCBMSPNHAU-GFCCVEGCSA-N 1 1 240.347 2.115 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000491465261 384940624 /nfs/dbraw/zinc/94/06/24/384940624.db2.gz VPIRHVQXKWADAH-XHSDSOJGSA-N 1 1 241.334 2.124 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@@H]1C[C@H]1c1ccccc1 ZINC000491465261 384940630 /nfs/dbraw/zinc/94/06/30/384940630.db2.gz VPIRHVQXKWADAH-XHSDSOJGSA-N 1 1 241.334 2.124 20 30 BEEDMO C=CCCC[N@@H+](C)Cc1cc(COC)on1 ZINC000297877120 384973145 /nfs/dbraw/zinc/97/31/45/384973145.db2.gz QDRMSCMKCZYBSJ-UHFFFAOYSA-N 1 1 224.304 2.219 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cc(COC)on1 ZINC000297877120 384973152 /nfs/dbraw/zinc/97/31/52/384973152.db2.gz QDRMSCMKCZYBSJ-UHFFFAOYSA-N 1 1 224.304 2.219 20 30 BEEDMO N#CCCC[N@H+]1CCc2ccccc2C1 ZINC000019504056 384999751 /nfs/dbraw/zinc/99/97/51/384999751.db2.gz UBTPQDNEVIEJBS-UHFFFAOYSA-N 1 1 200.285 2.348 20 30 BEEDMO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cn[nH]c1C ZINC000130140945 385023439 /nfs/dbraw/zinc/02/34/39/385023439.db2.gz IDZWHAYWIMJMLV-UWVGGRQHSA-N 1 1 207.321 2.408 20 30 BEEDMO C=CCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000336683277 385058340 /nfs/dbraw/zinc/05/83/40/385058340.db2.gz QBTCFZWFVCOOJH-LBPRGKRZSA-N 1 1 221.304 2.169 20 30 BEEDMO CCC[N@H+](CC)CCN[C@H]1CC[C@H](C#N)C1 ZINC000310029591 385061459 /nfs/dbraw/zinc/06/14/59/385061459.db2.gz QRGDMVNEAHPPIN-STQMWFEESA-N 1 1 223.364 2.000 20 30 BEEDMO CCC[N@@H+](CC)CCN[C@H]1CC[C@H](C#N)C1 ZINC000310029591 385061470 /nfs/dbraw/zinc/06/14/70/385061470.db2.gz QRGDMVNEAHPPIN-STQMWFEESA-N 1 1 223.364 2.000 20 30 BEEDMO CC[C@H]1C[N@@H+](CCCCC#N)CCCO1 ZINC000308760612 385080638 /nfs/dbraw/zinc/08/06/38/385080638.db2.gz XELPDAFGNPFGOD-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO C[C@H](CNCc1cc(C#N)cs1)[N@H+](C)C1CC1 ZINC000177697136 385082110 /nfs/dbraw/zinc/08/21/10/385082110.db2.gz YBVOCNGAKMYFKT-SNVBAGLBSA-N 1 1 249.383 2.192 20 30 BEEDMO C[C@H](CNCc1cc(C#N)cs1)[N@@H+](C)C1CC1 ZINC000177697136 385082116 /nfs/dbraw/zinc/08/21/16/385082116.db2.gz YBVOCNGAKMYFKT-SNVBAGLBSA-N 1 1 249.383 2.192 20 30 BEEDMO CC#CC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724528 385026042 /nfs/dbraw/zinc/02/60/42/385026042.db2.gz GLYVWLOIEDZDLZ-CYBMUJFWSA-N 1 1 200.285 2.242 20 30 BEEDMO CC#CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246166682 385116016 /nfs/dbraw/zinc/11/60/16/385116016.db2.gz RGJJKMDNNJTTOK-VXGBXAGGSA-N 1 1 209.358 2.370 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCCCn1ccnc1C ZINC000491210149 385133329 /nfs/dbraw/zinc/13/33/29/385133329.db2.gz QNAIIFMEIIPROJ-UHFFFAOYSA-N 1 1 233.359 2.315 20 30 BEEDMO C[N@@H+](CC#Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000157344243 385136565 /nfs/dbraw/zinc/13/65/65/385136565.db2.gz YXDDMBVMKCTKAV-HOTGVXAUSA-N 1 1 243.350 2.273 20 30 BEEDMO C=C(CC)C[NH2+]Cc1ncc(COC)s1 ZINC000449735343 385091113 /nfs/dbraw/zinc/09/11/13/385091113.db2.gz QLGQPHNZYQXWGH-UHFFFAOYSA-N 1 1 226.345 2.345 20 30 BEEDMO C[N@@H+](CCCCC#N)C[C@@H]1CCCOC1 ZINC000107064586 385177310 /nfs/dbraw/zinc/17/73/10/385177310.db2.gz YSGMQYJIDNFXFF-LBPRGKRZSA-N 1 1 210.321 2.039 20 30 BEEDMO C[N@@H+](CCCCC#N)CCc1nccs1 ZINC000157913740 385306649 /nfs/dbraw/zinc/30/66/49/385306649.db2.gz MYGWOTOPMUHKFH-UHFFFAOYSA-N 1 1 223.345 2.311 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000491641615 385313386 /nfs/dbraw/zinc/31/33/86/385313386.db2.gz RNVDJLIEJNHOJS-SECBINFHSA-N 1 1 232.258 2.420 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000491641615 385313390 /nfs/dbraw/zinc/31/33/90/385313390.db2.gz RNVDJLIEJNHOJS-SECBINFHSA-N 1 1 232.258 2.420 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1cc(F)cc(OC)c1 ZINC000491256047 385258798 /nfs/dbraw/zinc/25/87/98/385258798.db2.gz ZFXDCSUATRLBQO-JTQLQIEISA-N 1 1 221.275 2.288 20 30 BEEDMO CO[C@@H](C)C[N@@H+](C)CCCC(C)(C)C#N ZINC000308906482 385282339 /nfs/dbraw/zinc/28/23/39/385282339.db2.gz VPAWAYFYIWBCRR-NSHDSACASA-N 1 1 212.337 2.283 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000491266630 385285814 /nfs/dbraw/zinc/28/58/14/385285814.db2.gz PYTHRQYNSLKZTN-SNVBAGLBSA-N 1 1 222.719 2.497 20 30 BEEDMO CC#CC[N@H+](C)C[C@@H](OC)c1ccc(F)cc1 ZINC000625450001 385300536 /nfs/dbraw/zinc/30/05/36/385300536.db2.gz RJYRDPVPRXSXPU-CQSZACIVSA-N 1 1 235.302 2.468 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCS[C@H](CC)C1 ZINC000247659058 385360847 /nfs/dbraw/zinc/36/08/47/385360847.db2.gz XIFKAUALPYJGHH-NWDGAFQWSA-N 1 1 229.389 2.141 20 30 BEEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccon1 ZINC000309024326 385367455 /nfs/dbraw/zinc/36/74/55/385367455.db2.gz YZUGBEAHIOXBEP-LPEHRKFASA-N 1 1 205.261 2.017 20 30 BEEDMO C#CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177791317 533113241 /nfs/dbraw/zinc/11/32/41/533113241.db2.gz TWQUIKXIHRNRMN-OAHLLOKOSA-N 1 1 228.339 2.220 20 30 BEEDMO CC[N@@H+](C)CCNc1ccc(F)cc1C#N ZINC000082516506 385326714 /nfs/dbraw/zinc/32/67/14/385326714.db2.gz ACLHWRUWPXYEOX-UHFFFAOYSA-N 1 1 221.279 2.061 20 30 BEEDMO Cc1cn[nH]c1CN(C)Cc1ccc(C#N)cc1 ZINC000290404854 385409369 /nfs/dbraw/zinc/40/93/69/385409369.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 1 240.310 2.222 20 30 BEEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000644801777 385411254 /nfs/dbraw/zinc/41/12/54/385411254.db2.gz PDRNOECOPXQGHO-LBPRGKRZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CCC(C)(C)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000644801777 385411257 /nfs/dbraw/zinc/41/12/57/385411257.db2.gz PDRNOECOPXQGHO-LBPRGKRZSA-N 1 1 238.375 2.141 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444733485 385491143 /nfs/dbraw/zinc/49/11/43/385491143.db2.gz XMBITGQDQIIECQ-QWRGUYRKSA-N 1 1 249.276 2.035 20 30 BEEDMO C[C@@H](C#N)C[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000054179705 385597197 /nfs/dbraw/zinc/59/71/97/385597197.db2.gz AVNQMMOQOJCTOH-NSHDSACASA-N 1 1 240.310 2.326 20 30 BEEDMO 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ZINC000223665244 387062896 /nfs/dbraw/zinc/06/28/96/387062896.db2.gz ORGXSKGXYADBAD-JTQLQIEISA-N 1 1 227.267 2.397 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000334941959 387018338 /nfs/dbraw/zinc/01/83/38/387018338.db2.gz RWLPBRTUOVXUSG-KBPBESRZSA-N 1 1 239.359 2.223 20 30 BEEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000334941960 387018710 /nfs/dbraw/zinc/01/87/10/387018710.db2.gz RWLPBRTUOVXUSG-KGLIPLIRSA-N 1 1 239.359 2.223 20 30 BEEDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(C)(C)CCC#N ZINC000425971991 387098959 /nfs/dbraw/zinc/09/89/59/387098959.db2.gz URMQIKKZZYEIEW-NEPJUHHUSA-N 1 1 224.348 2.019 20 30 BEEDMO Cn1cc(C[N@@H+]2CCC[C@](C)(F)C2)cc1C#N ZINC000296049975 387126504 /nfs/dbraw/zinc/12/65/04/387126504.db2.gz OLYJAYYSERFXFU-ZDUSSCGKSA-N 1 1 235.306 2.221 20 30 BEEDMO Cn1cc(C[N@H+]2CCC[C@](C)(F)C2)cc1C#N ZINC000296049975 387126512 /nfs/dbraw/zinc/12/65/12/387126512.db2.gz OLYJAYYSERFXFU-ZDUSSCGKSA-N 1 1 235.306 2.221 20 30 BEEDMO C=CCC[C@@H]([NH2+]C[C@@H](N)C1CC1)C1CC1 ZINC000423321651 387163744 /nfs/dbraw/zinc/16/37/44/387163744.db2.gz NIUPUNADHQYGJH-CHWSQXEVSA-N 1 1 208.349 2.058 20 30 BEEDMO Cc1ncsc1C[NH2+]CC1(C#N)CCC1 ZINC000418141357 387164811 /nfs/dbraw/zinc/16/48/11/387164811.db2.gz KYQXZTOTGNCPFK-UHFFFAOYSA-N 1 1 221.329 2.235 20 30 BEEDMO CC(C)(C)c1n[nH]cc1C[NH2+]CC1(C#N)CCC1 ZINC000418140764 387165325 /nfs/dbraw/zinc/16/53/25/387165325.db2.gz KDCNPXDUAIZREY-UHFFFAOYSA-N 1 1 246.358 2.491 20 30 BEEDMO C=CCC[C@H]([NH2+]CC1(N)CCC1)C1CC1 ZINC000423327954 387169214 /nfs/dbraw/zinc/16/92/14/387169214.db2.gz NKKCJXYHGCBHFD-LBPRGKRZSA-N 1 1 208.349 2.202 20 30 BEEDMO CCn1nc(C)c(C[NH2+]CC2(C#N)CCC2)c1C ZINC000418135962 387170360 /nfs/dbraw/zinc/17/03/60/387170360.db2.gz BNXTXAYAZLQJFP-UHFFFAOYSA-N 1 1 246.358 2.303 20 30 BEEDMO N#CC1(C[NH2+]C/C=C/c2ccncc2)CCC1 ZINC000418137781 387174798 /nfs/dbraw/zinc/17/47/98/387174798.db2.gz FHQHMSXFKLPPHX-HNQUOIGGSA-N 1 1 227.311 2.378 20 30 BEEDMO CCN(CCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000230202589 387247381 /nfs/dbraw/zinc/24/73/81/387247381.db2.gz RWLBTPXPLVUPJK-ZDUSSCGKSA-N 1 1 223.364 2.096 20 30 BEEDMO C[N@H+]1CCCC[C@H]1CCN1CCC(C#N)CC1 ZINC000230202031 387248307 /nfs/dbraw/zinc/24/83/07/387248307.db2.gz LDRLDLNDEWLSLD-AWEZNQCLSA-N 1 1 235.375 2.096 20 30 BEEDMO CC(C)[N@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC000572174167 387258019 /nfs/dbraw/zinc/25/80/19/387258019.db2.gz CTVPGPMKKNRBIG-UHFFFAOYSA-N 1 1 243.314 2.034 20 30 BEEDMO CC(C)[N@@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC000572174167 387258025 /nfs/dbraw/zinc/25/80/25/387258025.db2.gz CTVPGPMKKNRBIG-UHFFFAOYSA-N 1 1 243.314 2.034 20 30 BEEDMO CCCCCCC[N@H+]1CCCNC(=O)[C@@H]1C ZINC000189275213 387277297 /nfs/dbraw/zinc/27/72/97/387277297.db2.gz CMGVNUBUYGLVRE-LBPRGKRZSA-N 1 1 226.364 2.167 20 30 BEEDMO CC1(C#N)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000514871383 387305426 /nfs/dbraw/zinc/30/54/26/387305426.db2.gz UUHMMXCMWLFYAX-UHFFFAOYSA-N 1 1 240.310 2.079 20 30 BEEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191237549 387355888 /nfs/dbraw/zinc/35/58/88/387355888.db2.gz ZDUFDYJIEFYLEO-SNVBAGLBSA-N 1 1 217.316 2.127 20 30 BEEDMO C=CCC[C@H](CC)[NH2+][C@H]1CCCCNC1 ZINC000423566310 387376824 /nfs/dbraw/zinc/37/68/24/387376824.db2.gz UBOWJBCCVHMANN-STQMWFEESA-N 1 1 210.365 2.463 20 30 BEEDMO C#CCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000269896989 387424277 /nfs/dbraw/zinc/42/42/77/387424277.db2.gz NGWCXHNJLRTVPC-UKRRQHHQSA-N 1 1 229.323 2.472 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@H]1O ZINC000352661762 387426746 /nfs/dbraw/zinc/42/67/46/387426746.db2.gz UZAMJOYHQSAXBO-NWDGAFQWSA-N 1 1 224.348 2.162 20 30 BEEDMO C#CC[C@H]([NH2+]Cc1nccn1C)c1ccccc1 ZINC000270204014 387427818 /nfs/dbraw/zinc/42/78/18/387427818.db2.gz MVTGJCLMQMHUIY-AWEZNQCLSA-N 1 1 239.322 2.274 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672632 387431622 /nfs/dbraw/zinc/43/16/22/387431622.db2.gz VJOYUAFAHNIAEF-VHSXEESVSA-N 1 1 237.265 2.055 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352672633 387433039 /nfs/dbraw/zinc/43/30/39/387433039.db2.gz VJOYUAFAHNIAEF-ZJUUUORDSA-N 1 1 237.265 2.055 20 30 BEEDMO C#CCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000270640599 387433572 /nfs/dbraw/zinc/43/35/72/387433572.db2.gz ROZJPZTUWFUQRM-LLVKDONJSA-N 1 1 221.325 2.145 20 30 BEEDMO C#CCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000270640599 387433577 /nfs/dbraw/zinc/43/35/77/387433577.db2.gz ROZJPZTUWFUQRM-LLVKDONJSA-N 1 1 221.325 2.145 20 30 BEEDMO C#CCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000270640603 387434124 /nfs/dbraw/zinc/43/41/24/387434124.db2.gz ROZJPZTUWFUQRM-NSHDSACASA-N 1 1 221.325 2.145 20 30 BEEDMO C#CCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000270640603 387434130 /nfs/dbraw/zinc/43/41/30/387434130.db2.gz ROZJPZTUWFUQRM-NSHDSACASA-N 1 1 221.325 2.145 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000271322227 387444149 /nfs/dbraw/zinc/44/41/49/387444149.db2.gz CGYNLNHOQXLPQO-CYBMUJFWSA-N 1 1 246.358 2.062 20 30 BEEDMO C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264167739 387387805 /nfs/dbraw/zinc/38/78/05/387387805.db2.gz HCXFQFCQKYPURE-LBPRGKRZSA-N 1 1 203.260 2.248 20 30 BEEDMO C#CC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000265355090 387393849 /nfs/dbraw/zinc/39/38/49/387393849.db2.gz GALUBTKLFNVDSS-UHFFFAOYSA-N 1 1 217.287 2.466 20 30 BEEDMO C#CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265617409 387397263 /nfs/dbraw/zinc/39/72/63/387397263.db2.gz ABMFMDWQXLWODZ-UHFFFAOYSA-N 1 1 237.306 2.285 20 30 BEEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000266891624 387404442 /nfs/dbraw/zinc/40/44/42/387404442.db2.gz DDIPNGBZROAVNZ-LLVKDONJSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000266891624 387404445 /nfs/dbraw/zinc/40/44/45/387404445.db2.gz DDIPNGBZROAVNZ-LLVKDONJSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000266887302 387404669 /nfs/dbraw/zinc/40/46/69/387404669.db2.gz BVUHMBCNPXWJMA-UHFFFAOYSA-N 1 1 232.283 2.358 20 30 BEEDMO C=CCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000267139652 387408160 /nfs/dbraw/zinc/40/81/60/387408160.db2.gz GTJUFLSOIDHBOT-GFCCVEGCSA-N 1 1 249.358 2.300 20 30 BEEDMO C=C(C)CC[N@@H+](C)CC(=O)OC(C)(C)C ZINC000274825078 387494047 /nfs/dbraw/zinc/49/40/47/387494047.db2.gz ZIEVMLYYCVXCKN-UHFFFAOYSA-N 1 1 213.321 2.226 20 30 BEEDMO C=C(C)CC[N@H+](C)CC(=O)OC(C)(C)C ZINC000274825078 387494049 /nfs/dbraw/zinc/49/40/49/387494049.db2.gz ZIEVMLYYCVXCKN-UHFFFAOYSA-N 1 1 213.321 2.226 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000516491157 387510214 /nfs/dbraw/zinc/51/02/14/387510214.db2.gz XFNSFCDEPFTTNV-AWEZNQCLSA-N 1 1 238.375 2.141 20 30 BEEDMO C[C@H](CN[C@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000293380607 387514061 /nfs/dbraw/zinc/51/40/61/387514061.db2.gz IHHAGKYVLTUAKX-CHWSQXEVSA-N 1 1 245.370 2.407 20 30 BEEDMO C[C@]1(F)CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000347380993 387521222 /nfs/dbraw/zinc/52/12/22/387521222.db2.gz NIVKHADZGYZQOT-AWEZNQCLSA-N 1 1 248.301 2.371 20 30 BEEDMO C[C@]1(F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000347380993 387521226 /nfs/dbraw/zinc/52/12/26/387521226.db2.gz NIVKHADZGYZQOT-AWEZNQCLSA-N 1 1 248.301 2.371 20 30 BEEDMO COc1ccncc1C[NH+]1CCC(C)(C#N)CC1 ZINC000287855315 387523670 /nfs/dbraw/zinc/52/36/70/387523670.db2.gz RKIKSYJONFSFMU-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO C=C(C)CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276902631 387528412 /nfs/dbraw/zinc/52/84/12/387528412.db2.gz IASIXCIHFAHUGD-UHFFFAOYSA-N 1 1 218.300 2.112 20 30 BEEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](C)O ZINC000192736838 387531806 /nfs/dbraw/zinc/53/18/06/387531806.db2.gz SVQMWBHMGHFWEV-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000274799080 387490580 /nfs/dbraw/zinc/49/05/80/387490580.db2.gz QGBQDMDVRTWHFZ-SNVBAGLBSA-N 1 1 239.319 2.175 20 30 BEEDMO C=C(C)CC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000274799080 387490585 /nfs/dbraw/zinc/49/05/85/387490585.db2.gz QGBQDMDVRTWHFZ-SNVBAGLBSA-N 1 1 239.319 2.175 20 30 BEEDMO CC(C)[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528400111 387594437 /nfs/dbraw/zinc/59/44/37/387594437.db2.gz KCWPTCDWVLMOSJ-STQMWFEESA-N 1 1 236.359 2.019 20 30 BEEDMO Cc1ccnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1C#N ZINC000230078094 387613428 /nfs/dbraw/zinc/61/34/28/387613428.db2.gz VMDGEQQTZGCHIX-LLVKDONJSA-N 1 1 244.342 2.156 20 30 BEEDMO C=CC[C@@H]1[N@@H+](Cc2ncnn2C)CCCC1(C)C ZINC000277884054 387548962 /nfs/dbraw/zinc/54/89/62/387548962.db2.gz VQGBKIYQYHYXKZ-LBPRGKRZSA-N 1 1 248.374 2.382 20 30 BEEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1 ZINC000278998739 387560196 /nfs/dbraw/zinc/56/01/96/387560196.db2.gz QYXLOXBPGKELPH-OAHLLOKOSA-N 1 1 229.323 2.136 20 30 BEEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426445889 387570106 /nfs/dbraw/zinc/57/01/06/387570106.db2.gz QARJIPKYMWFOJA-CQSZACIVSA-N 1 1 249.741 2.412 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H](O)C(C)(C)C ZINC000283893212 387576985 /nfs/dbraw/zinc/57/69/85/387576985.db2.gz FGQQZHLUUIMRPA-AWEZNQCLSA-N 1 1 246.354 2.397 20 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BEEDMO CC[N@@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450462990 387777936 /nfs/dbraw/zinc/77/79/36/387777936.db2.gz LEYTUQNFCNMKSP-UKRRQHHQSA-N 1 1 246.354 2.387 20 30 BEEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000294468511 387795478 /nfs/dbraw/zinc/79/54/78/387795478.db2.gz VJZYARBQJSZXDD-ZDUSSCGKSA-N 1 1 232.352 2.496 20 30 BEEDMO C[N@@H+](Cc1ccc(F)cc1C#N)CC1(O)CCC1 ZINC000353480003 387797769 /nfs/dbraw/zinc/79/77/69/387797769.db2.gz HPTPROZNPRQVEK-UHFFFAOYSA-N 1 1 248.301 2.044 20 30 BEEDMO C=CCSCC[NH2+][C@@H]1CCCCC[C@H]1N ZINC000422951044 387807065 /nfs/dbraw/zinc/80/70/65/387807065.db2.gz ZOTGNPZOMLDSJG-VXGBXAGGSA-N 1 1 228.405 2.155 20 30 BEEDMO CC#CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000157526633 387820981 /nfs/dbraw/zinc/82/09/81/387820981.db2.gz QDXPERVDFPAPRZ-UHFFFAOYSA-N 1 1 242.366 2.218 20 30 BEEDMO CN(C)CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442836464 387848504 /nfs/dbraw/zinc/84/85/04/387848504.db2.gz HTWBSKXJISOODI-ZIAGYGMSSA-N 1 1 249.402 2.390 20 30 BEEDMO 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CC#CC[N@H+]1CCOCC12CCCCC2 ZINC000451816947 388298549 /nfs/dbraw/zinc/29/85/49/388298549.db2.gz PZUBQCCORFGARR-UHFFFAOYSA-N 1 1 207.317 2.045 20 30 BEEDMO C#CC[N@H+](C[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000491495572 388298784 /nfs/dbraw/zinc/29/87/84/388298784.db2.gz JNLQHOAYRXGBGN-AWEZNQCLSA-N 1 1 249.741 2.471 20 30 BEEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451830338 388298884 /nfs/dbraw/zinc/29/88/84/388298884.db2.gz CKASSBLBLZKYPT-OLZOCXBDSA-N 1 1 239.359 2.078 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCc1ccc(OC)cc1 ZINC000491513541 388300063 /nfs/dbraw/zinc/30/00/63/388300063.db2.gz CTBRQGWGUGQJFJ-LBPRGKRZSA-N 1 1 217.312 2.191 20 30 BEEDMO C=CCC[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451852984 388300999 /nfs/dbraw/zinc/30/09/99/388300999.db2.gz OTPOVBCHALGIMY-RYUDHWBXSA-N 1 1 209.333 2.452 20 30 BEEDMO CC#CCC[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451858785 388301216 /nfs/dbraw/zinc/30/12/16/388301216.db2.gz VISFRQUEMFVXRG-STQMWFEESA-N 1 1 221.344 2.289 20 30 BEEDMO 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C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1F ZINC000491717214 388314182 /nfs/dbraw/zinc/31/41/82/388314182.db2.gz VTJGTFLKXLJBHL-UHFFFAOYSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000491717214 388314183 /nfs/dbraw/zinc/31/41/83/388314183.db2.gz VTJGTFLKXLJBHL-UHFFFAOYSA-N 1 1 248.301 2.108 20 30 BEEDMO C#CC[N@H+](C[C@H](CC(C)C)OC)C1CC1 ZINC000491717069 388314243 /nfs/dbraw/zinc/31/42/43/388314243.db2.gz PKFIYVHSNNZIPR-ZDUSSCGKSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC[N@@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000491742756 388317133 /nfs/dbraw/zinc/31/71/33/388317133.db2.gz TXPHADLJQJEGTO-CYBMUJFWSA-N 1 1 207.317 2.043 20 30 BEEDMO C#CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000491753110 388318057 /nfs/dbraw/zinc/31/80/57/388318057.db2.gz YEWSSDLLSOQOJL-CHWSQXEVSA-N 1 1 235.714 2.081 20 30 BEEDMO C#CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000491753110 388318058 /nfs/dbraw/zinc/31/80/58/388318058.db2.gz YEWSSDLLSOQOJL-CHWSQXEVSA-N 1 1 235.714 2.081 20 30 BEEDMO 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388468134 /nfs/dbraw/zinc/46/81/34/388468134.db2.gz GPXVFTGDIGUCMX-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CCCCC[NH+]1CCC(N(C)C)CC1 ZINC000649245443 388468138 /nfs/dbraw/zinc/46/81/38/388468138.db2.gz GPXVFTGDIGUCMX-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO CC[N@@H+](CCOCCC#N)CC(C)(C)C ZINC000339209033 388481477 /nfs/dbraw/zinc/48/14/77/388481477.db2.gz UKSPDBXHCMOTLG-UHFFFAOYSA-N 1 1 212.337 2.285 20 30 BEEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000524811419 388410130 /nfs/dbraw/zinc/41/01/30/388410130.db2.gz JTJVMLSWNOESJR-STQMWFEESA-N 1 1 238.375 2.189 20 30 BEEDMO Cc1cc(CNCC(C)(C)[NH+](C)C)ccc1C#N ZINC000443980565 388421395 /nfs/dbraw/zinc/42/13/95/388421395.db2.gz NDZKMFLBRKKPJQ-UHFFFAOYSA-N 1 1 245.370 2.297 20 30 BEEDMO C=CCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648885471 388480139 /nfs/dbraw/zinc/48/01/39/388480139.db2.gz DEHGQNSUPYZIAL-LBPRGKRZSA-N 1 1 249.358 2.479 20 30 BEEDMO C[C@@H]1[C@H](C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1C ZINC000528519669 388541010 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C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(N(C)C)C2)C1 ZINC000655793067 411515700 /nfs/dbraw/zinc/51/57/00/411515700.db2.gz ROFKRFLMQFUOEC-IWMBGFJWSA-N 1 1 222.376 2.413 20 30 BEEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CC(N(C)C)C2)C1 ZINC000655793066 411516370 /nfs/dbraw/zinc/51/63/70/411516370.db2.gz ROFKRFLMQFUOEC-FEPKRQSRSA-N 1 1 222.376 2.413 20 30 BEEDMO C=C(C)C[N@@H+](C)Cc1cc(OC)ns1 ZINC000660221817 411556260 /nfs/dbraw/zinc/55/62/60/411556260.db2.gz RUZGQKSLXARNDW-UHFFFAOYSA-N 1 1 212.318 2.160 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cc(OC)ns1 ZINC000660221817 411556261 /nfs/dbraw/zinc/55/62/61/411556261.db2.gz RUZGQKSLXARNDW-UHFFFAOYSA-N 1 1 212.318 2.160 20 30 BEEDMO C=CCN1CC[C@H]([N@@H+](C)CCC=C(C)C)C1=O ZINC000660463605 411589547 /nfs/dbraw/zinc/58/95/47/411589547.db2.gz FWSLFCSKIIUBKC-ZDUSSCGKSA-N 1 1 236.359 2.061 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1CCn2cncc2C1 ZINC000660582137 411603337 /nfs/dbraw/zinc/60/33/37/411603337.db2.gz PANHBCYFMOQSAB-LBPRGKRZSA-N 1 1 219.332 2.444 20 30 BEEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH]nn1 ZINC000661115045 411713121 /nfs/dbraw/zinc/71/31/21/411713121.db2.gz ORBSCDLJLKGMIZ-AAEUAGOBSA-N 1 1 234.347 2.072 20 30 BEEDMO C=CCC[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661089989 411703247 /nfs/dbraw/zinc/70/32/47/411703247.db2.gz BEFMYXUXENZAJS-AWEZNQCLSA-N 1 1 219.328 2.098 20 30 BEEDMO C=CC[N@@H+](Cc1ccc(C)nc1)[C@@H](C)COC ZINC000661241205 411741016 /nfs/dbraw/zinc/74/10/16/411741016.db2.gz YCIAIOXBTLDBOS-ZDUSSCGKSA-N 1 1 234.343 2.413 20 30 BEEDMO C=CC[N@H+](CCC1CCOCC1)[C@@H](C)COC ZINC000661239759 411741217 /nfs/dbraw/zinc/74/12/17/411741217.db2.gz IZBNPUNOOAYANJ-ZDUSSCGKSA-N 1 1 241.375 2.326 20 30 BEEDMO C=CC[N@H+](CCCC(=O)CC)[C@H](C)COC ZINC000661241527 411741383 /nfs/dbraw/zinc/74/13/83/411741383.db2.gz ZWHHEZDAWNVQGC-GFCCVEGCSA-N 1 1 227.348 2.269 20 30 BEEDMO C=CC[N@@H+](CC1CCC(=O)CC1)[C@@H](C)COC ZINC000661240121 411741472 /nfs/dbraw/zinc/74/14/72/411741472.db2.gz LWZYAOJNKVKBLF-LBPRGKRZSA-N 1 1 239.359 2.269 20 30 BEEDMO C=CC[N@@H+](Cc1cccnc1)[C@H](C)COC ZINC000661243851 411742448 /nfs/dbraw/zinc/74/24/48/411742448.db2.gz OOLFWUWRHPCFIC-GFCCVEGCSA-N 1 1 220.316 2.105 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)COC(C)C)C1 ZINC000661378881 411752447 /nfs/dbraw/zinc/75/24/47/411752447.db2.gz NSAKUZLZRSEDEK-ZIAGYGMSSA-N 1 1 241.375 2.060 20 30 BEEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393340 411754073 /nfs/dbraw/zinc/75/40/73/411754073.db2.gz PSAKVVHMKSXTGB-ZIAGYGMSSA-N 1 1 241.375 2.205 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000661378873 411760406 /nfs/dbraw/zinc/76/04/06/411760406.db2.gz NRKCPDYVXPKXDG-LBPRGKRZSA-N 1 1 219.332 2.208 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NCCCC)C1 ZINC000661376408 411760421 /nfs/dbraw/zinc/76/04/21/411760421.db2.gz BREODNGNHRJRQJ-ZDUSSCGKSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)NC(C)C)C1 ZINC000661379011 411760593 /nfs/dbraw/zinc/76/05/93/411760593.db2.gz QLRLMGXUCDGDPR-ZDUSSCGKSA-N 1 1 238.375 2.189 20 30 BEEDMO 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C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)nn2)C1 ZINC000661383545 411763593 /nfs/dbraw/zinc/76/35/93/411763593.db2.gz DSWCUPIEXMLXFA-GFCCVEGCSA-N 1 1 247.342 2.273 20 30 BEEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000661384894 411764545 /nfs/dbraw/zinc/76/45/45/411764545.db2.gz LFIOBUMEZLCCKZ-NSHDSACASA-N 1 1 205.305 2.198 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCC[C@H](C)O)C1 ZINC000661384947 411765700 /nfs/dbraw/zinc/76/57/00/411765700.db2.gz MIWNNWVWBHBYJM-STQMWFEESA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661446243 411778182 /nfs/dbraw/zinc/77/81/82/411778182.db2.gz RFNMHWLCDWWZES-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(CC)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661489481 411787876 /nfs/dbraw/zinc/78/78/76/411787876.db2.gz FBROULZEJCNKRL-BETUJISGSA-N 1 1 209.333 2.311 20 30 BEEDMO C=CCCC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630156 411824400 /nfs/dbraw/zinc/82/44/00/411824400.db2.gz UBVUXKPWILKVJC-CYBMUJFWSA-N 1 1 209.333 2.190 20 30 BEEDMO CCC#C[C@H](C)[N@@H+](C)CC1=CCCOC1 ZINC000661652755 411827684 /nfs/dbraw/zinc/82/76/84/411827684.db2.gz BWYNKCBGJYEPBM-LBPRGKRZSA-N 1 1 207.317 2.067 20 30 BEEDMO CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665080 411832885 /nfs/dbraw/zinc/83/28/85/411832885.db2.gz PLOQALXXCAPLQB-JKSUJKDBSA-N 1 1 243.350 2.108 20 30 BEEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)nc1 ZINC000062053110 170811597 /nfs/dbraw/zinc/81/15/97/170811597.db2.gz UFUNNVQOCDUJHN-LBPRGKRZSA-N 1 1 203.289 2.172 20 30 BEEDMO C=CCOCC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661978582 411934274 /nfs/dbraw/zinc/93/42/74/411934274.db2.gz MSVVHTPHAQSXMA-ZDUSSCGKSA-N 1 1 239.359 2.223 20 30 BEEDMO C=CCN1CC[C@H]([N@H+](CC=C)C(C)(C)C)C1=O ZINC000661759994 411872119 /nfs/dbraw/zinc/87/21/19/411872119.db2.gz NTMMIAVGVBDZNN-LBPRGKRZSA-N 1 1 236.359 2.060 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C(C)C ZINC000662090414 411974219 /nfs/dbraw/zinc/97/42/19/411974219.db2.gz OTMBCTLWCUGOIZ-XQQFMLRXSA-N 1 1 209.333 2.186 20 30 BEEDMO 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C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000040718164 176173586 /nfs/dbraw/zinc/17/35/86/176173586.db2.gz WLLSHVVOQFHTMA-LLVKDONJSA-N 1 1 200.285 2.400 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCCC#N)CC(C)(C)O1 ZINC000045691291 176287959 /nfs/dbraw/zinc/28/79/59/176287959.db2.gz DNWLYCCANNAEHR-LLVKDONJSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C ZINC000293143360 176292481 /nfs/dbraw/zinc/29/24/81/176292481.db2.gz UIOHMBYLKWFMHM-VXGBXAGGSA-N 1 1 230.311 2.277 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000293540362 176303514 /nfs/dbraw/zinc/30/35/14/176303514.db2.gz XXKYPJFMTJZXIB-GHMZBOCLSA-N 1 1 200.285 2.398 20 30 BEEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCS1 ZINC000135471726 176307960 /nfs/dbraw/zinc/30/79/60/176307960.db2.gz XJJFYQZOVFDGHN-LLVKDONJSA-N 1 1 232.352 2.496 20 30 BEEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCS1 ZINC000135471726 176307961 /nfs/dbraw/zinc/30/79/61/176307961.db2.gz XJJFYQZOVFDGHN-LLVKDONJSA-N 1 1 232.352 2.496 20 30 BEEDMO C=CC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC001652363798 1173071552 /nfs/dbraw/zinc/07/15/52/1173071552.db2.gz LDVXXQQBFOVPBG-OAHLLOKOSA-N 1 1 244.338 2.488 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCCO ZINC000264023382 177031474 /nfs/dbraw/zinc/03/14/74/177031474.db2.gz XGROXLQQEULLCC-GFCCVEGCSA-N 1 1 232.327 2.324 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668360 177033081 /nfs/dbraw/zinc/03/30/81/177033081.db2.gz RMYMVUZQABKCNI-DFBGVHRSSA-N 1 1 244.338 2.464 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)N1CCC[N@@H+](C)CC1 ZINC000297703013 177035305 /nfs/dbraw/zinc/03/53/05/177035305.db2.gz AWSURAFIASCCOI-CYBMUJFWSA-N 1 1 243.354 2.257 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(C)CC1 ZINC000297703013 177035306 /nfs/dbraw/zinc/03/53/06/177035306.db2.gz AWSURAFIASCCOI-CYBMUJFWSA-N 1 1 243.354 2.257 20 30 BEEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(C)CC1 ZINC000297703013 177035309 /nfs/dbraw/zinc/03/53/09/177035309.db2.gz AWSURAFIASCCOI-CYBMUJFWSA-N 1 1 243.354 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C=CCC[N@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668040445 487815848 /nfs/dbraw/zinc/81/58/48/487815848.db2.gz XINRGFAKTFIHQB-UHFFFAOYSA-N 1 1 247.264 2.447 20 30 BEEDMO C#CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791580213 585984883 /nfs/dbraw/zinc/98/48/83/585984883.db2.gz XUFYSQPCKMBRCZ-RKDXNWHRSA-N 1 1 205.223 2.282 20 30 BEEDMO CC(C)(C#N)CCO[NH+]=C(N)CC1CC1 ZINC000799961242 586203481 /nfs/dbraw/zinc/20/34/81/586203481.db2.gz GHRMABYQZCAYPN-UHFFFAOYSA-N 1 1 209.293 2.225 20 30 BEEDMO C=CCOCCO[NH+]=C(N)CCC(C)C ZINC000842027076 587990363 /nfs/dbraw/zinc/99/03/63/587990363.db2.gz NMAAXBJZLPDTTQ-UHFFFAOYSA-N 1 1 214.309 2.124 20 30 BEEDMO C#CC[N@H+](CC)C[C@H](OC)C1CCCC1 ZINC000851799001 588630495 /nfs/dbraw/zinc/63/04/95/588630495.db2.gz KAVOSIXBLMHWEX-ZDUSSCGKSA-N 1 1 209.333 2.147 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@](C)(CC)OC)C1 ZINC000877617745 590375984 /nfs/dbraw/zinc/37/59/84/590375984.db2.gz UMWVVXBJGROEJL-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2nccnc2OC)C1 ZINC000668494051 487852399 /nfs/dbraw/zinc/85/23/99/487852399.db2.gz UZDXBRJKXUWJIC-LBPRGKRZSA-N 1 1 247.342 2.273 20 30 BEEDMO C=CC[N@@H+](C)Cc1n[nH]c2ccccc21 ZINC000681758482 487856829 /nfs/dbraw/zinc/85/68/29/487856829.db2.gz ZVWCHEQIHZTCSH-UHFFFAOYSA-N 1 1 201.273 2.181 20 30 BEEDMO C=CC[N@H+](C)Cc1n[nH]c2ccccc21 ZINC000681758482 487856835 /nfs/dbraw/zinc/85/68/35/487856835.db2.gz ZVWCHEQIHZTCSH-UHFFFAOYSA-N 1 1 201.273 2.181 20 30 BEEDMO C=CC[N@H+](C)Cc1[nH]nc2ccccc21 ZINC000681758482 487856819 /nfs/dbraw/zinc/85/68/19/487856819.db2.gz ZVWCHEQIHZTCSH-UHFFFAOYSA-N 1 1 201.273 2.181 20 30 BEEDMO CCC#C[C@H](C)[N@@H+]1CCc2ncsc2C1 ZINC000682092076 487908632 /nfs/dbraw/zinc/90/86/32/487908632.db2.gz UCUXOQGHKMYIAV-JTQLQIEISA-N 1 1 220.341 2.303 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCc2ncsc2C1 ZINC000682092076 487908635 /nfs/dbraw/zinc/90/86/35/487908635.db2.gz UCUXOQGHKMYIAV-JTQLQIEISA-N 1 1 220.341 2.303 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000682360903 487937722 /nfs/dbraw/zinc/93/77/22/487937722.db2.gz YNSGMAIAHYBLKM-GXTWGEPZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000682360903 487937727 /nfs/dbraw/zinc/93/77/27/487937727.db2.gz YNSGMAIAHYBLKM-GXTWGEPZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000682360905 487937952 /nfs/dbraw/zinc/93/79/52/487937952.db2.gz YNSGMAIAHYBLKM-JSGCOSHPSA-N 1 1 238.375 2.141 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000682360905 487937956 /nfs/dbraw/zinc/93/79/56/487937956.db2.gz YNSGMAIAHYBLKM-JSGCOSHPSA-N 1 1 238.375 2.141 20 30 BEEDMO C#CC[N@H+](Cc1ccc(OC)nc1)C1CCCC1 ZINC000155777736 323001977 /nfs/dbraw/zinc/00/19/77/323001977.db2.gz IUCYFVUBQHHDBC-UHFFFAOYSA-N 1 1 244.338 2.468 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000245498205 323006361 /nfs/dbraw/zinc/00/63/61/323006361.db2.gz VPZKSFKZHWNWMP-CHWSQXEVSA-N 1 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COc1cncc(/C=C/CC[N@H+](C)CCC#N)c1 ZINC000571435149 323144769 /nfs/dbraw/zinc/14/47/69/323144769.db2.gz APUQHOWVDVELJB-ZZXKWVIFSA-N 1 1 245.326 2.339 20 30 BEEDMO COc1cncc(/C=C/CC[N@@H+](C)CCC#N)c1 ZINC000571435149 323144770 /nfs/dbraw/zinc/14/47/70/323144770.db2.gz APUQHOWVDVELJB-ZZXKWVIFSA-N 1 1 245.326 2.339 20 30 BEEDMO C=CCCC[C@@H](C)[NH2+][C@@H](CC)C(=O)OC ZINC000192862731 323180110 /nfs/dbraw/zinc/18/01/10/323180110.db2.gz SVKRYSRZPQJAAS-MNOVXSKESA-N 1 1 213.321 2.272 20 30 BEEDMO C[C@@H]1C[C@H](CO)C[N@@H+](CCCC(C)(C)C#N)C1 ZINC000398655604 323188537 /nfs/dbraw/zinc/18/85/37/323188537.db2.gz MMCPBSVWWRRLIY-OLZOCXBDSA-N 1 1 238.375 2.267 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CCCC23CCC3)nc1 ZINC000565158914 323345063 /nfs/dbraw/zinc/34/50/63/323345063.db2.gz WBZOIKOURYIZCP-UHFFFAOYSA-N 1 1 227.311 2.472 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000677048489 487959187 /nfs/dbraw/zinc/95/91/87/487959187.db2.gz YXTKHSFAHMAMRE-AAEUAGOBSA-N 1 1 247.342 2.359 20 30 BEEDMO C=CC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000121371576 324012772 /nfs/dbraw/zinc/01/27/72/324012772.db2.gz AXVGNXGDKQBOPE-UHFFFAOYSA-N 1 1 201.273 2.181 20 30 BEEDMO C=CC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000121371576 324012775 /nfs/dbraw/zinc/01/27/75/324012775.db2.gz AXVGNXGDKQBOPE-UHFFFAOYSA-N 1 1 201.273 2.181 20 30 BEEDMO C#CC[N@H+](CC(OCC)OCC)C1CCCC1 ZINC000124639091 324103520 /nfs/dbraw/zinc/10/35/20/324103520.db2.gz BUDQUTQDELHTTA-UHFFFAOYSA-N 1 1 239.359 2.263 20 30 BEEDMO N#CCCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000514790145 324111972 /nfs/dbraw/zinc/11/19/72/324111972.db2.gz WFWMDSUBBNJLOB-CYBMUJFWSA-N 1 1 215.300 2.175 20 30 BEEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000682434965 487962719 /nfs/dbraw/zinc/96/27/19/487962719.db2.gz FZYNZTSYKCSBHY-CQSZACIVSA-N 1 1 249.354 2.243 20 30 BEEDMO C=CCC[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000682436388 487963122 /nfs/dbraw/zinc/96/31/22/487963122.db2.gz KWEVZZFDQPLNCE-UHFFFAOYSA-N 1 1 246.358 2.085 20 30 BEEDMO N#Cc1cccc(C[NH2+]Cc2ncccc2F)c1 ZINC000126391920 324695998 /nfs/dbraw/zinc/69/59/98/324695998.db2.gz BKMHZXNTGJHPAW-UHFFFAOYSA-N 1 1 241.269 2.382 20 30 BEEDMO C[C@H](C#N)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000542692818 325042124 /nfs/dbraw/zinc/04/21/24/325042124.db2.gz OSNSFCFNLMNMEB-GFCCVEGCSA-N 1 1 240.310 2.122 20 30 BEEDMO CCC[C@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000131566504 325164375 /nfs/dbraw/zinc/16/43/75/325164375.db2.gz HNOAUUCRPOEZQQ-LBPRGKRZSA-N 1 1 210.321 2.181 20 30 BEEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000132665688 325234137 /nfs/dbraw/zinc/23/41/37/325234137.db2.gz QKWRZSQHAZZMHN-CYBMUJFWSA-N 1 1 238.375 2.191 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000545904483 325245212 /nfs/dbraw/zinc/24/52/12/325245212.db2.gz WHOXZIXPVWAXDL-NSHDSACASA-N 1 1 249.276 2.443 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000546581592 325288494 /nfs/dbraw/zinc/28/84/94/325288494.db2.gz FRXSYUFQAHCSBU-LLVKDONJSA-N 1 1 228.299 2.345 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000546581592 325288496 /nfs/dbraw/zinc/28/84/96/325288496.db2.gz FRXSYUFQAHCSBU-LLVKDONJSA-N 1 1 228.299 2.345 20 30 BEEDMO CC#CCCCC(=O)Nc1cc(C)[nH+]cc1C ZINC000546632438 325295998 /nfs/dbraw/zinc/29/59/98/325295998.db2.gz LNFFKMOYOWUGNC-UHFFFAOYSA-N 1 1 230.311 2.252 20 30 BEEDMO C=CCCC[N@H+](CC(=O)OC)C1CCCC1 ZINC000134044408 325338911 /nfs/dbraw/zinc/33/89/11/325338911.db2.gz KRYVKSYXTDENMU-UHFFFAOYSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000547352460 325346211 /nfs/dbraw/zinc/34/62/11/325346211.db2.gz VWFCRLWFNLCAIX-QWHCGFSZSA-N 1 1 238.375 2.047 20 30 BEEDMO C=CC[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000547646276 325378273 /nfs/dbraw/zinc/37/82/73/325378273.db2.gz FXWGEAGWBWQGIA-UHFFFAOYSA-N 1 1 245.326 2.250 20 30 BEEDMO CCn1ccnc1C[NH+]1CCC(CCC#N)CC1 ZINC000565361509 325900856 /nfs/dbraw/zinc/90/08/56/325900856.db2.gz QYCJNNRNQMLDJX-UHFFFAOYSA-N 1 1 246.358 2.419 20 30 BEEDMO Cc1ccccc1[C@H](CO)[NH2+]CC1(C#N)CCC1 ZINC000565874968 325968246 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/nfs/dbraw/zinc/36/06/72/326360672.db2.gz ASQSXMVTEZKSDJ-UHFFFAOYSA-N 1 1 226.364 2.141 20 30 BEEDMO COCC#CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000677132811 487979565 /nfs/dbraw/zinc/97/95/65/487979565.db2.gz SLXPFNMZAFRJHO-LBPRGKRZSA-N 1 1 235.302 2.468 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000677133265 487980823 /nfs/dbraw/zinc/98/08/23/487980823.db2.gz PJPSXDJXQVYXLY-CHWSQXEVSA-N 1 1 231.343 2.391 20 30 BEEDMO C#CC[N@@H+](CC#CC)C[C@H]1CCO[C@H](CC)C1 ZINC000490933622 488026974 /nfs/dbraw/zinc/02/69/74/488026974.db2.gz FGRRSMKZGQAZPC-LSDHHAIUSA-N 1 1 233.355 2.150 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000490934451 488028088 /nfs/dbraw/zinc/02/80/88/488028088.db2.gz IDTSCHRFRJPGBA-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCOc1ccccc1C ZINC000677476509 488041957 /nfs/dbraw/zinc/04/19/57/488041957.db2.gz RZWGJSOBBAIVOC-CQSZACIVSA-N 1 1 249.354 2.243 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(OCC)cc1 ZINC000677477197 488046447 /nfs/dbraw/zinc/04/64/47/488046447.db2.gz VNLDTYFTKHQHRS-HNNXBMFYSA-N 1 1 249.354 2.454 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCOc1cccc(C)c1 ZINC000677477220 488046592 /nfs/dbraw/zinc/04/65/92/488046592.db2.gz APPKWAUAVAGKBO-OAHLLOKOSA-N 1 1 249.354 2.243 20 30 BEEDMO CC[N@@H+](CC#CCOC)[C@@H](C)c1cccc(O)c1 ZINC000677478540 488048329 /nfs/dbraw/zinc/04/83/29/488048329.db2.gz AETOAZBAIVYHGY-ZDUSSCGKSA-N 1 1 247.338 2.425 20 30 BEEDMO COCC#CC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478312 488048787 /nfs/dbraw/zinc/04/87/87/488048787.db2.gz UVYUUBKTNBWKBS-UHFFFAOYSA-N 1 1 247.338 2.085 20 30 BEEDMO C=CCCC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667655875 488076825 /nfs/dbraw/zinc/07/68/25/488076825.db2.gz SHHNROACKYTFJF-UHFFFAOYSA-N 1 1 234.347 2.401 20 30 BEEDMO C=CCCC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667655875 488076831 /nfs/dbraw/zinc/07/68/31/488076831.db2.gz SHHNROACKYTFJF-UHFFFAOYSA-N 1 1 234.347 2.401 20 30 BEEDMO CC#CCC[N@H+](C)Cc1ccn(CC)c1 ZINC000683029181 488100315 /nfs/dbraw/zinc/10/03/15/488100315.db2.gz GVRJKYQCMABPMY-UHFFFAOYSA-N 1 1 204.317 2.353 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(C)ccc2C1 ZINC000683028412 488100864 /nfs/dbraw/zinc/10/08/64/488100864.db2.gz UPTUYFDSTFAREN-OAHLLOKOSA-N 1 1 231.339 2.290 20 30 BEEDMO COCC#CC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000680107933 487537430 /nfs/dbraw/zinc/53/74/30/487537430.db2.gz KICQYCXZJYIFKG-MRXNPFEDSA-N 1 1 243.350 2.434 20 30 BEEDMO COCC#CC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000680107931 487537468 /nfs/dbraw/zinc/53/74/68/487537468.db2.gz KICQYCXZJYIFKG-INIZCTEOSA-N 1 1 243.350 2.434 20 30 BEEDMO C=C(C)CC[N@@H+](C)CCN1CCCCC1 ZINC000231413263 488114665 /nfs/dbraw/zinc/11/46/65/488114665.db2.gz AYROIDQICRGYAW-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO C=C(C)CCN(C)CC[NH+]1CCCCC1 ZINC000231413263 488114671 /nfs/dbraw/zinc/11/46/71/488114671.db2.gz AYROIDQICRGYAW-UHFFFAOYSA-N 1 1 210.365 2.370 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000670108179 488116975 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/nfs/dbraw/zinc/13/02/90/488130290.db2.gz FYYDPPDLIGTOFF-NSHDSACASA-N 1 1 235.352 2.317 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000677817719 488131568 /nfs/dbraw/zinc/13/15/68/488131568.db2.gz AJRBCRCHWBTRGO-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO COCC#CC[N@H+]1CCc2ccccc2[C@H]1C ZINC000677818243 488133403 /nfs/dbraw/zinc/13/34/03/488133403.db2.gz XNLDVJKTOYBBGK-CYBMUJFWSA-N 1 1 229.323 2.256 20 30 BEEDMO COCC#CC[N@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000677819098 488133937 /nfs/dbraw/zinc/13/39/37/488133937.db2.gz ROPMLFKERACYLI-LBPRGKRZSA-N 1 1 233.311 2.455 20 30 BEEDMO COCC#CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000677819098 488133943 /nfs/dbraw/zinc/13/39/43/488133943.db2.gz ROPMLFKERACYLI-LBPRGKRZSA-N 1 1 233.311 2.455 20 30 BEEDMO CC#CCOc1cc[nH+]c2c1CCCC2 ZINC000655702244 487544551 /nfs/dbraw/zinc/54/45/51/487544551.db2.gz QBNINOIJJFRMLA-UHFFFAOYSA-N 1 1 201.269 2.363 20 30 BEEDMO C#CC[N@@H+](Cc1cnc(C)s1)C1CC1 ZINC000274043312 487507451 /nfs/dbraw/zinc/50/74/51/487507451.db2.gz FMJRSNBILCOTLW-UHFFFAOYSA-N 1 1 206.314 2.049 20 30 BEEDMO C#CC[N@H+](Cc1cnc(C)s1)C1CC1 ZINC000274043312 487507455 /nfs/dbraw/zinc/50/74/55/487507455.db2.gz FMJRSNBILCOTLW-UHFFFAOYSA-N 1 1 206.314 2.049 20 30 BEEDMO COCC#CC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000677819935 487516766 /nfs/dbraw/zinc/51/67/66/487516766.db2.gz DIXBQKUTGZBTLY-MRXNPFEDSA-N 1 1 243.350 2.300 20 30 BEEDMO COCC#CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000677820232 488137705 /nfs/dbraw/zinc/13/77/05/488137705.db2.gz JZERKCSGVPAYPU-HNNXBMFYSA-N 1 1 244.338 2.177 20 30 BEEDMO C=CC[N@@H+](Cc1ccnn1CCC)C1CC1 ZINC000667981256 488174915 /nfs/dbraw/zinc/17/49/15/488174915.db2.gz IABBYGYNRYYIKG-UHFFFAOYSA-N 1 1 219.332 2.444 20 30 BEEDMO C=CC[N@H+](Cc1ccnn1CCC)C1CC1 ZINC000667981256 488174921 /nfs/dbraw/zinc/17/49/21/488174921.db2.gz IABBYGYNRYYIKG-UHFFFAOYSA-N 1 1 219.332 2.444 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCCc2ccccc2C1 ZINC000678049053 488184669 /nfs/dbraw/zinc/18/46/69/488184669.db2.gz BRMISQNVDXWHMR-HNNXBMFYSA-N 1 1 231.339 2.372 20 30 BEEDMO C=CC[NH+](CC=C)Cc1oc(C)nc1C ZINC000683898857 488241149 /nfs/dbraw/zinc/24/11/49/488241149.db2.gz PLUXEHHIGATRSF-UHFFFAOYSA-N 1 1 206.289 2.465 20 30 BEEDMO COCC#CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000678469359 488256312 /nfs/dbraw/zinc/25/63/12/488256312.db2.gz RFPXGKIKBVQYRE-ZDUSSCGKSA-N 1 1 221.344 2.148 20 30 BEEDMO CCC#C[C@H](C)[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000684207674 488276669 /nfs/dbraw/zinc/27/66/69/488276669.db2.gz BLDWWYBLVNSHEB-OBJOEFQTSA-N 1 1 221.344 2.288 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@](C)(OC)C1 ZINC000684207990 488276816 /nfs/dbraw/zinc/27/68/16/488276816.db2.gz PCWNLNOISRCSBH-QWHCGFSZSA-N 1 1 209.333 2.289 20 30 BEEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1 ZINC000678714445 488277048 /nfs/dbraw/zinc/27/70/48/488277048.db2.gz AYOAXFWTEVIYRR-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO COCC#CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000678728397 488279178 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ZINC000838366057 585054563 /nfs/dbraw/zinc/05/45/63/585054563.db2.gz HAJMMVYWGZHVDL-AWEZNQCLSA-N 1 1 249.354 2.206 20 30 BEEDMO C=CCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788117457 585073412 /nfs/dbraw/zinc/07/34/12/585073412.db2.gz LLTHUOYEUYRNMK-NWDGAFQWSA-N 1 1 223.316 2.123 20 30 BEEDMO C=CCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788117459 585073613 /nfs/dbraw/zinc/07/36/13/585073613.db2.gz LLTHUOYEUYRNMK-VXGBXAGGSA-N 1 1 223.316 2.123 20 30 BEEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)C1CC1 ZINC000838853577 585074978 /nfs/dbraw/zinc/07/49/78/585074978.db2.gz MPZSLUZFSKDMCE-LBPRGKRZSA-N 1 1 224.348 2.019 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1C[C@@H](C)Cc1ccccc1 ZINC000839188800 585096993 /nfs/dbraw/zinc/09/69/93/585096993.db2.gz ITBVDKFQNADBIX-GOEBONIOSA-N 1 1 243.350 2.199 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1C[C@@H](C)Cc1ccccc1 ZINC000839188800 585096994 /nfs/dbraw/zinc/09/69/94/585096994.db2.gz ITBVDKFQNADBIX-GOEBONIOSA-N 1 1 243.350 2.199 20 30 BEEDMO 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C[C@@H]1C[C@H](/N=C/c2ccccc2O)CC[N@H+]1C ZINC000741464292 585114546 /nfs/dbraw/zinc/11/45/46/585114546.db2.gz NMTGZTFFERXBEF-ZQVVPGSTSA-N 1 1 232.327 2.294 20 30 BEEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297137 585117894 /nfs/dbraw/zinc/11/78/94/585117894.db2.gz JFSHRUYBQZDFRY-UONOGXRCSA-N 1 1 248.370 2.329 20 30 BEEDMO C[NH+]1CCN(N=CC2CCCCCC2)CC1 ZINC000741837868 585120150 /nfs/dbraw/zinc/12/01/50/585120150.db2.gz PMBMZMQUNWMTKE-UHFFFAOYSA-N 1 1 223.364 2.190 20 30 BEEDMO Cc1n[nH]cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742382031 585125331 /nfs/dbraw/zinc/12/53/31/585125331.db2.gz YGVAHNYPHVGYJF-UHFFFAOYSA-N 1 1 244.273 2.019 20 30 BEEDMO C[C@H]1CCC[N@@H+]1CCNCc1ccc(C#N)cc1 ZINC000742387275 585125341 /nfs/dbraw/zinc/12/53/41/585125341.db2.gz QOFOHWBTRRLOBQ-ZDUSSCGKSA-N 1 1 243.354 2.132 20 30 BEEDMO C[C@H]1CCC[N@H+]1CCNCc1ccc(C#N)cc1 ZINC000742387275 585125342 /nfs/dbraw/zinc/12/53/42/585125342.db2.gz QOFOHWBTRRLOBQ-ZDUSSCGKSA-N 1 1 243.354 2.132 20 30 BEEDMO 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ZINC000761108346 585409698 /nfs/dbraw/zinc/40/96/98/585409698.db2.gz LBNSIAOGMQUKDW-UHFFFAOYSA-N 1 1 231.339 2.201 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000761110845 585410338 /nfs/dbraw/zinc/41/03/38/585410338.db2.gz WNPQIHMGFHTHRC-ZDUSSCGKSA-N 1 1 217.312 2.329 20 30 BEEDMO C#CC[N@@H+](CC)CCN1CCCc2ccccc21 ZINC000761670246 585417868 /nfs/dbraw/zinc/41/78/68/585417868.db2.gz PRLQBMOFGZNDPV-UHFFFAOYSA-N 1 1 242.366 2.394 20 30 BEEDMO C[C@@H]1CC(N=Nc2cccc(F)c2F)C[N@H+]1C ZINC000761813401 585419361 /nfs/dbraw/zinc/41/93/61/585419361.db2.gz SQZOIMMCZRMFIT-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO C=CCCC(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000762585231 585434118 /nfs/dbraw/zinc/43/41/18/585434118.db2.gz XDVWWJSBSWIEOU-GFCCVEGCSA-N 1 1 225.332 2.370 20 30 BEEDMO C#CC[N@H+](CCCCCCCO)C1CC1 ZINC000763950528 585457663 /nfs/dbraw/zinc/45/76/63/585457663.db2.gz WOKMBVIMILSHMV-UHFFFAOYSA-N 1 1 209.333 2.027 20 30 BEEDMO C#CC[N@@H+](Cc1ccc2c(c1)COC2)C1CC1 ZINC000763956115 585457847 /nfs/dbraw/zinc/45/78/47/585457847.db2.gz VFWHEECEDXERKK-UHFFFAOYSA-N 1 1 227.307 2.314 20 30 BEEDMO C#CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000764676175 585470760 /nfs/dbraw/zinc/47/07/60/585470760.db2.gz FZEWECRDZFELLV-UHFFFAOYSA-N 1 1 246.329 2.489 20 30 BEEDMO CC#CCCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000765478664 585487558 /nfs/dbraw/zinc/48/75/58/585487558.db2.gz FTIVWGJBECYIFC-FRRDWIJNSA-N 1 1 237.343 2.204 20 30 BEEDMO Cc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)nc1 ZINC000765572495 585489872 /nfs/dbraw/zinc/48/98/72/585489872.db2.gz SOYMBGJANMNPDE-GFCCVEGCSA-N 1 1 230.315 2.026 20 30 BEEDMO c1ccc(CON=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765572890 585489899 /nfs/dbraw/zinc/48/98/99/585489899.db2.gz PJKYXHUGFOZLCA-AWEZNQCLSA-N 1 1 230.311 2.427 20 30 BEEDMO Cc1ccnc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765581892 585490277 /nfs/dbraw/zinc/49/02/77/585490277.db2.gz UGJGOEOZDRCGJJ-LBPRGKRZSA-N 1 1 230.315 2.026 20 30 BEEDMO CCCCCCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000766268294 585499678 /nfs/dbraw/zinc/49/96/78/585499678.db2.gz CWOLOJKDVOKNIN-ZDUSSCGKSA-N 1 1 238.375 2.263 20 30 BEEDMO C=C(Cl)CN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000766250675 585499986 /nfs/dbraw/zinc/49/99/86/585499986.db2.gz AJTUJJYGJUOZKF-MNOVXSKESA-N 1 1 216.756 2.153 20 30 BEEDMO Cc1cc(C=NNc2cc[nH+]cc2)ccc1C#N ZINC000766455080 585502765 /nfs/dbraw/zinc/50/27/65/585502765.db2.gz PFCMVGBIFXVZKR-UHFFFAOYSA-N 1 1 236.278 2.130 20 30 BEEDMO C#CCCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000766894233 585509302 /nfs/dbraw/zinc/50/93/02/585509302.db2.gz ASHFTXUNBHSSDX-CYBMUJFWSA-N 1 1 223.360 2.415 20 30 BEEDMO C#CCCC[N@H+](CCC(=O)OCC)CC1CC1 ZINC000766896593 585509912 /nfs/dbraw/zinc/50/99/12/585509912.db2.gz UOZMLXOENGIPDC-UHFFFAOYSA-N 1 1 237.343 2.065 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000766903434 585510641 /nfs/dbraw/zinc/51/06/41/585510641.db2.gz RNZVHYMXHHPEOR-LLVKDONJSA-N 1 1 249.276 2.443 20 30 BEEDMO C#CCCC[N@H+](C)Cc1cccc(O)c1 ZINC000766904369 585510819 /nfs/dbraw/zinc/51/08/19/585510819.db2.gz YZCQARXTUKASRT-UHFFFAOYSA-N 1 1 203.285 2.237 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H](COCC)C1 ZINC000766906017 585511105 /nfs/dbraw/zinc/51/11/05/585511105.db2.gz MEVSOBGIAXZAJJ-CYBMUJFWSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCCC[N@@H+]1CCOC[C@H]1CC(C)C ZINC000766906853 585511195 /nfs/dbraw/zinc/51/11/95/585511195.db2.gz WMQWAADFLQFBOA-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000766905432 585511350 /nfs/dbraw/zinc/51/13/50/585511350.db2.gz LWFYLSHKIBGLKM-ZDUSSCGKSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000766905432 585511351 /nfs/dbraw/zinc/51/13/51/585511351.db2.gz LWFYLSHKIBGLKM-ZDUSSCGKSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000766920945 585511759 /nfs/dbraw/zinc/51/17/59/585511759.db2.gz SEMMUTGYFSVDEU-KGLIPLIRSA-N 1 1 222.376 2.062 20 30 BEEDMO C#CCCC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000766920945 585511760 /nfs/dbraw/zinc/51/17/60/585511760.db2.gz SEMMUTGYFSVDEU-KGLIPLIRSA-N 1 1 222.376 2.062 20 30 BEEDMO C#CCCCN1CC[N@H+](CCCC#C)CC1(C)C ZINC000766919239 585511892 /nfs/dbraw/zinc/51/18/92/585511892.db2.gz OMZKNLSZHQTNRX-UHFFFAOYSA-N 1 1 246.398 2.209 20 30 BEEDMO C#CCCCN1CC[N@H+](CCCC#C)C(C)(C)C1 ZINC000766919239 585511893 /nfs/dbraw/zinc/51/18/93/585511893.db2.gz OMZKNLSZHQTNRX-UHFFFAOYSA-N 1 1 246.398 2.209 20 30 BEEDMO C#CCCCN1CC[N@@H+](CCCC#C)C(C)(C)C1 ZINC000766919239 585511894 /nfs/dbraw/zinc/51/18/94/585511894.db2.gz OMZKNLSZHQTNRX-UHFFFAOYSA-N 1 1 246.398 2.209 20 30 BEEDMO C#CCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000766934780 585512118 /nfs/dbraw/zinc/51/21/18/585512118.db2.gz ICCBUVKULBZMAD-CQSZACIVSA-N 1 1 221.344 2.148 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2c(F)cccc2C1 ZINC000767119714 585514474 /nfs/dbraw/zinc/51/44/74/585514474.db2.gz MYKMOODDNLHZGY-CQSZACIVSA-N 1 1 235.302 2.121 20 30 BEEDMO C#CC[N@H+](CCC(=O)C1CC1)C1CCCC1 ZINC000767416788 585519780 /nfs/dbraw/zinc/51/97/80/585519780.db2.gz XPWJKXGNPTWVSI-UHFFFAOYSA-N 1 1 219.328 2.233 20 30 BEEDMO C#CC[N@@H+](Cc1cc(C)n(C)n1)C1CCCCC1 ZINC000767890899 585527673 /nfs/dbraw/zinc/52/76/73/585527673.db2.gz RVZQKFZCGSQPAF-UHFFFAOYSA-N 1 1 245.370 2.496 20 30 BEEDMO C#CC[N@H+](Cc1cc(C)n(C)n1)C1CCCCC1 ZINC000767890899 585527674 /nfs/dbraw/zinc/52/76/74/585527674.db2.gz RVZQKFZCGSQPAF-UHFFFAOYSA-N 1 1 245.370 2.496 20 30 BEEDMO C#CC[N@@H+](CC)Cc1nn(C)c2ccccc21 ZINC000769110419 585549085 /nfs/dbraw/zinc/54/90/85/585549085.db2.gz DUXTXROVOFRIKT-UHFFFAOYSA-N 1 1 227.311 2.028 20 30 BEEDMO C#CC[N@H+](CC)Cc1nn(C)c2ccccc21 ZINC000769110419 585549086 /nfs/dbraw/zinc/54/90/86/585549086.db2.gz DUXTXROVOFRIKT-UHFFFAOYSA-N 1 1 227.311 2.028 20 30 BEEDMO C#CC[N@@H+](CC)Cc1[nH]nc2ccccc21 ZINC000769110986 585549329 /nfs/dbraw/zinc/54/93/29/585549329.db2.gz LDAXTRSDOLJJSP-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO C#CC[N@H+](CC)Cc1[nH]nc2ccccc21 ZINC000769110986 585549330 /nfs/dbraw/zinc/54/93/30/585549330.db2.gz LDAXTRSDOLJJSP-UHFFFAOYSA-N 1 1 213.284 2.018 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(N(C)C)cc1 ZINC000769446946 585556961 /nfs/dbraw/zinc/55/69/61/585556961.db2.gz DXAYCVDJRYDUOF-UHFFFAOYSA-N 1 1 240.350 2.211 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc(N(C)C)cc1 ZINC000769446946 585556962 /nfs/dbraw/zinc/55/69/62/585556962.db2.gz DXAYCVDJRYDUOF-UHFFFAOYSA-N 1 1 240.350 2.211 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cc(C)c(C)cc1O ZINC000769451274 585557098 /nfs/dbraw/zinc/55/70/98/585557098.db2.gz KHSHCOFCMARVNY-UHFFFAOYSA-N 1 1 241.334 2.468 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(C)c1 ZINC000769449046 585557349 /nfs/dbraw/zinc/55/73/49/585557349.db2.gz VWGXURXOVVLIDG-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(C)c1 ZINC000769449046 585557350 /nfs/dbraw/zinc/55/73/50/585557350.db2.gz VWGXURXOVVLIDG-UHFFFAOYSA-N 1 1 241.334 2.462 20 30 BEEDMO C[NH+]1CCN(N=C2CC[C@H]2c2ccccc2)CC1 ZINC000769764449 585563131 /nfs/dbraw/zinc/56/31/31/585563131.db2.gz AKUGHZMLIGPRJJ-AWEZNQCLSA-N 1 1 243.354 2.167 20 30 BEEDMO C#CCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769844676 585565254 /nfs/dbraw/zinc/56/52/54/585565254.db2.gz BWNCOUCURBSVQH-SECBINFHSA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC000769963611 585567889 /nfs/dbraw/zinc/56/78/89/585567889.db2.gz XBJJAXWTIAWWRA-ZDUSSCGKSA-N 1 1 201.313 2.491 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCc1ccc(C)cc1 ZINC000769963605 585568037 /nfs/dbraw/zinc/56/80/37/585568037.db2.gz XBJJAXWTIAWWRA-CYBMUJFWSA-N 1 1 201.313 2.491 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CCCOc1ccc(OC)cc1 ZINC000769978037 585568455 /nfs/dbraw/zinc/56/84/55/585568455.db2.gz NWCXGBYUIXLZLZ-CYBMUJFWSA-N 1 1 247.338 2.418 20 30 BEEDMO N#Cc1cccc(CO[NH+]=C(N)CC2CC2)c1 ZINC000770692896 585580016 /nfs/dbraw/zinc/58/00/16/585580016.db2.gz OWZBCVLHIFKVCC-UHFFFAOYSA-N 1 1 229.283 2.357 20 30 BEEDMO C#CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000770850183 585582992 /nfs/dbraw/zinc/58/29/92/585582992.db2.gz HCDVGFBUPDKDOE-UHFFFAOYSA-N 1 1 245.326 2.150 20 30 BEEDMO C=CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000772382316 585613942 /nfs/dbraw/zinc/61/39/42/585613942.db2.gz PPMFKODKRTYZQG-OAHLLOKOSA-N 1 1 242.322 2.242 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=N[C@H]1CCCCC1(C)C ZINC000773126111 585632047 /nfs/dbraw/zinc/63/20/47/585632047.db2.gz TZPGQIYFDTZXIX-YPMHNXCESA-N 1 1 237.391 2.482 20 30 BEEDMO C#CCCCCC(=O)NCC[N@H+](CC)C(C)C ZINC000773380062 585635677 /nfs/dbraw/zinc/63/56/77/585635677.db2.gz QDOCMWLCMWACCP-UHFFFAOYSA-N 1 1 238.375 2.027 20 30 BEEDMO C=C(CC)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000773525175 585639481 /nfs/dbraw/zinc/63/94/81/585639481.db2.gz ZFCBTCJPFOUCNK-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(CC)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000773525175 585639482 /nfs/dbraw/zinc/63/94/82/585639482.db2.gz ZFCBTCJPFOUCNK-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C=C(C)[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000774388992 585657343 /nfs/dbraw/zinc/65/73/43/585657343.db2.gz BNPWGSIISKOIKT-VXGBXAGGSA-N 1 1 225.332 2.369 20 30 BEEDMO C=C(C)[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000774388992 585657344 /nfs/dbraw/zinc/65/73/44/585657344.db2.gz BNPWGSIISKOIKT-VXGBXAGGSA-N 1 1 225.332 2.369 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(C)c(OC)c1 ZINC000774859789 585667980 /nfs/dbraw/zinc/66/79/80/585667980.db2.gz TWOIHMYRLFFDLC-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000774911239 585668920 /nfs/dbraw/zinc/66/89/20/585668920.db2.gz XKADBCRWPMLYSM-YPMHNXCESA-N 1 1 220.316 2.303 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC=CO1)C1CC1 ZINC000774911239 585668921 /nfs/dbraw/zinc/66/89/21/585668921.db2.gz XKADBCRWPMLYSM-YPMHNXCESA-N 1 1 220.316 2.303 20 30 BEEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774911238 585669017 /nfs/dbraw/zinc/66/90/17/585669017.db2.gz XKADBCRWPMLYSM-WCQYABFASA-N 1 1 220.316 2.303 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774911238 585669018 /nfs/dbraw/zinc/66/90/18/585669018.db2.gz XKADBCRWPMLYSM-WCQYABFASA-N 1 1 220.316 2.303 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1O ZINC000775183492 585673169 /nfs/dbraw/zinc/67/31/69/585673169.db2.gz NDVOTPVMFOEBNG-SECBINFHSA-N 1 1 223.703 2.499 20 30 BEEDMO C#C[C@H]([NH2+]Cc1ccccc1F)[C@H]1CCCO1 ZINC000775341678 585676094 /nfs/dbraw/zinc/67/60/94/585676094.db2.gz MYPMRMSEVWEQBR-UONOGXRCSA-N 1 1 233.286 2.096 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cc(C)oc1C)[C@@H]1CCCO1 ZINC000775343617 585676148 /nfs/dbraw/zinc/67/61/48/585676148.db2.gz XANTUWLEOGMLHN-KBPBESRZSA-N 1 1 233.311 2.167 20 30 BEEDMO C[C@@H]1CCOCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000775566842 585679778 /nfs/dbraw/zinc/67/97/78/585679778.db2.gz FLIYKBIRLUBVIB-LLVKDONJSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@@H]1CCOCC[N@H+]1Cc1cccc(C#N)c1F ZINC000775566842 585679779 /nfs/dbraw/zinc/67/97/79/585679779.db2.gz FLIYKBIRLUBVIB-LLVKDONJSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@H]1CC(N=Nc2cc(Cl)ccn2)C[N@H+]1C ZINC000777907652 585723609 /nfs/dbraw/zinc/72/36/09/585723609.db2.gz YWGNHCDNFACDPZ-QMMMGPOBSA-N 1 1 238.722 2.227 20 30 BEEDMO C[C@@H]1CC(N=Nc2cc(Cl)ccn2)C[N@H+]1C ZINC000777907651 585723823 /nfs/dbraw/zinc/72/38/23/585723823.db2.gz YWGNHCDNFACDPZ-MRVPVSSYSA-N 1 1 238.722 2.227 20 30 BEEDMO C=C(C)CN(C)c1nc(N2CCCC2)cc[nH+]1 ZINC000777995638 585724976 /nfs/dbraw/zinc/72/49/76/585724976.db2.gz RAKUWVODTMPHSK-UHFFFAOYSA-N 1 1 232.331 2.089 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1nc(C)sc1C ZINC000779807322 585765242 /nfs/dbraw/zinc/76/52/42/585765242.db2.gz RQXUEUQOLWMUJI-UHFFFAOYSA-N 1 1 246.339 2.413 20 30 BEEDMO CCc1ccc(C(C)=NNc2cc[nH+]cc2)o1 ZINC000779809104 585765757 /nfs/dbraw/zinc/76/57/57/585765757.db2.gz SYOUJUPNNLUBKR-UHFFFAOYSA-N 1 1 229.283 2.495 20 30 BEEDMO CCCn1cccc1C=NNc1cc[nH+]cc1 ZINC000779809799 585766122 /nfs/dbraw/zinc/76/61/22/585766122.db2.gz QPCXTBKKWIVDHC-UHFFFAOYSA-N 1 1 228.299 2.161 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(O)c(F)c1 ZINC000779811304 585766471 /nfs/dbraw/zinc/76/64/71/585766471.db2.gz GATYVFGALGCYHW-UHFFFAOYSA-N 1 1 245.257 2.184 20 30 BEEDMO C#CCOCC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000780303517 585777478 /nfs/dbraw/zinc/77/74/78/585777478.db2.gz DWQJRIDQTBDBSJ-OAHLLOKOSA-N 1 1 243.350 2.298 20 30 BEEDMO C[C@@H](N[C@@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423028 585795944 /nfs/dbraw/zinc/79/59/44/585795944.db2.gz OQMNABVFNABYSD-ZYHUDNBSSA-N 1 1 247.317 2.052 20 30 BEEDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423028 585795945 /nfs/dbraw/zinc/79/59/45/585795945.db2.gz OQMNABVFNABYSD-ZYHUDNBSSA-N 1 1 247.317 2.052 20 30 BEEDMO Cc1[nH+]ccn1CCOC(=O)CCCCCC#N ZINC000805696105 585801593 /nfs/dbraw/zinc/80/15/93/585801593.db2.gz WDKAPKOMPRVQAO-UHFFFAOYSA-N 1 1 249.314 2.209 20 30 BEEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NO)cc1 ZINC000782170122 585808611 /nfs/dbraw/zinc/80/86/11/585808611.db2.gz XEUZFWQZVFXPBP-UHFFFAOYSA-N 1 1 236.315 2.038 20 30 BEEDMO C#CC[NH+](CC#C)Cc1ccccc1CC ZINC000782503270 585819175 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589037678 /nfs/dbraw/zinc/03/76/78/589037678.db2.gz GHQSXELFLSQKBZ-LBPRGKRZSA-N 1 1 225.332 2.084 20 30 BEEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000859446070 589037708 /nfs/dbraw/zinc/03/77/08/589037708.db2.gz UJEVMQACHFWASS-NWDGAFQWSA-N 1 1 225.332 2.036 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](Cc2nn(CC)nc2C)C1 ZINC000859445677 589037741 /nfs/dbraw/zinc/03/77/41/589037741.db2.gz MXZKEENEBYQWQK-GFCCVEGCSA-N 1 1 234.347 2.004 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000859445928 589037885 /nfs/dbraw/zinc/03/78/85/589037885.db2.gz RQEKJUCTCARGOQ-OLZOCXBDSA-N 1 1 239.359 2.426 20 30 BEEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccco1 ZINC000801913813 586276450 /nfs/dbraw/zinc/27/64/50/586276450.db2.gz NBIFSJHPBKSWQC-LBPRGKRZSA-N 1 1 236.315 2.419 20 30 BEEDMO Cc1cccc2c1CC[N@H+](CCO[C@H](C)C#N)C2 ZINC000801918618 586276783 /nfs/dbraw/zinc/27/67/83/586276783.db2.gz UBCVHKHVKHWSGW-CYBMUJFWSA-N 1 1 244.338 2.282 20 30 BEEDMO C=CC[N@@H+](CCO[C@H](C)C#N)CCc1ccco1 ZINC000801938333 586279668 /nfs/dbraw/zinc/27/96/68/586279668.db2.gz DWFLMPVOGFQPFY-CYBMUJFWSA-N 1 1 248.326 2.239 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000801953357 586283823 /nfs/dbraw/zinc/28/38/23/586283823.db2.gz MLZZDFLUHHBXTI-VXGBXAGGSA-N 1 1 224.348 2.426 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000801953354 586284090 /nfs/dbraw/zinc/28/40/90/586284090.db2.gz MLZZDFLUHHBXTI-NEPJUHHUSA-N 1 1 224.348 2.426 20 30 BEEDMO C=CC[N@H+](CN1C[C@@H]2CCC[C@H]2C1=O)C(C)C ZINC000839969951 586306206 /nfs/dbraw/zinc/30/62/06/586306206.db2.gz QQESMBZNYHSBJV-QWHCGFSZSA-N 1 1 236.359 2.099 20 30 BEEDMO C=CC[N@@H+](CN1C[C@@H]2CCC[C@H]2C1=O)C(C)C ZINC000839969951 586306209 /nfs/dbraw/zinc/30/62/09/586306209.db2.gz QQESMBZNYHSBJV-QWHCGFSZSA-N 1 1 236.359 2.099 20 30 BEEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000802652596 586307830 /nfs/dbraw/zinc/30/78/30/586307830.db2.gz DXDYIKBNHHAVHQ-SNVBAGLBSA-N 1 1 246.301 2.282 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000802652596 586307831 /nfs/dbraw/zinc/30/78/31/586307831.db2.gz DXDYIKBNHHAVHQ-SNVBAGLBSA-N 1 1 246.301 2.282 20 30 BEEDMO C=CC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000116850027 589049335 /nfs/dbraw/zinc/04/93/35/589049335.db2.gz VDFLNNAIJBSKEO-LLVKDONJSA-N 1 1 235.331 2.053 20 30 BEEDMO C[NH+]1CCN(N=C2CC[C@H]2C(C)(C)C)CC1 ZINC000807942995 586452310 /nfs/dbraw/zinc/45/23/10/586452310.db2.gz GLIXDVXUWYDLIH-LLVKDONJSA-N 1 1 223.364 2.046 20 30 BEEDMO CC(C)[N@@H+]1CC(N=NCC2CCCC2)[C@@H](C)C1 ZINC000808007516 586458965 /nfs/dbraw/zinc/45/89/65/586458965.db2.gz CKBDFHQOAKHFRX-LBPRGKRZSA-N 1 1 237.391 2.482 20 30 BEEDMO C=CCC[N@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000808180304 586467152 /nfs/dbraw/zinc/46/71/52/586467152.db2.gz XKKASCQSUUOUFL-ZDUSSCGKSA-N 1 1 224.348 2.100 20 30 BEEDMO C=CC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccncc1 ZINC000808388162 586470349 /nfs/dbraw/zinc/47/03/49/586470349.db2.gz BXKAQJNBQYMGOD-CQSZACIVSA-N 1 1 242.326 2.222 20 30 BEEDMO C#CC[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1 ZINC000808400494 586470828 /nfs/dbraw/zinc/47/08/28/586470828.db2.gz NUCXKVRIIOZKOC-HNNXBMFYSA-N 1 1 239.322 2.274 20 30 BEEDMO C#Cc1ccc(C[N@H+](CCO)CCCC)cc1 ZINC000809537931 586506214 /nfs/dbraw/zinc/50/62/14/586506214.db2.gz HAUCGWQHJRFKOV-UHFFFAOYSA-N 1 1 231.339 2.262 20 30 BEEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000809569933 586506866 /nfs/dbraw/zinc/50/68/66/586506866.db2.gz HGMMZWGJXLHFDW-GHMZBOCLSA-N 1 1 236.340 2.160 20 30 BEEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC#N)[C@@H](c2ccco2)C1 ZINC000809576993 586507894 /nfs/dbraw/zinc/50/78/94/586507894.db2.gz ITAFXRHAZVZGPC-JHJVBQTASA-N 1 1 248.326 2.327 20 30 BEEDMO C#Cc1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000809576340 586508244 /nfs/dbraw/zinc/50/82/44/586508244.db2.gz TYYBQXOXDLBSSM-UHFFFAOYSA-N 1 1 243.350 2.405 20 30 BEEDMO C#Cc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000809613133 586509568 /nfs/dbraw/zinc/50/95/68/586509568.db2.gz LQRPBGTWQHEPSE-AWEZNQCLSA-N 1 1 244.382 2.488 20 30 BEEDMO C#Cc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1 ZINC000809613133 586509570 /nfs/dbraw/zinc/50/95/70/586509570.db2.gz LQRPBGTWQHEPSE-AWEZNQCLSA-N 1 1 244.382 2.488 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1cccnc1C ZINC000809989462 586529192 /nfs/dbraw/zinc/52/91/92/586529192.db2.gz XFKXBHXZWNOGGF-UHFFFAOYSA-N 1 1 202.301 2.234 20 30 BEEDMO CC(C)(C#N)CCCC[NH2+][C@@]1(C)CCOC1=O ZINC000810095702 586533763 /nfs/dbraw/zinc/53/37/63/586533763.db2.gz UZMYDZCQDHZYGU-ZDUSSCGKSA-N 1 1 238.331 2.002 20 30 BEEDMO CC#CCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810838511 586547811 /nfs/dbraw/zinc/54/78/11/586547811.db2.gz QBGUUAZHULOAMH-ZIAGYGMSSA-N 1 1 249.354 2.350 20 30 BEEDMO C=C(C)CN[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000811650907 586563001 /nfs/dbraw/zinc/56/30/01/586563001.db2.gz WFPHKGZSOCLTPV-UHFFFAOYSA-N 1 1 248.286 2.067 20 30 BEEDMO CC(C)[N@@H+]1CC(=NOC2CCC2)[C@H](C)C1 ZINC000812238443 586572131 /nfs/dbraw/zinc/57/21/31/586572131.db2.gz VDQAQOZSEHLBHZ-SNVBAGLBSA-N 1 1 210.321 2.272 20 30 BEEDMO C[NH+]1CCN(N=Cc2cc3ccccc3o2)CC1 ZINC000812373212 586574549 /nfs/dbraw/zinc/57/45/49/586574549.db2.gz SCAJBZSLJRGKSV-UHFFFAOYSA-N 1 1 243.310 2.014 20 30 BEEDMO CC(C)C(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000814670480 586628363 /nfs/dbraw/zinc/62/83/63/586628363.db2.gz USZVJYZRYAFONT-UHFFFAOYSA-N 1 1 210.321 2.083 20 30 BEEDMO CC(C)C(=O)CC[N@@H+](C)CC(C)(C)C#N ZINC000814670480 586628365 /nfs/dbraw/zinc/62/83/65/586628365.db2.gz USZVJYZRYAFONT-UHFFFAOYSA-N 1 1 210.321 2.083 20 30 BEEDMO C=C(C)CN[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814932461 586653280 /nfs/dbraw/zinc/65/32/80/586653280.db2.gz FTTUZPSZTVHCOP-UHFFFAOYSA-N 1 1 239.269 2.437 20 30 BEEDMO C=CCOCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000815011595 586664227 /nfs/dbraw/zinc/66/42/27/586664227.db2.gz SIOLMFBWABPNEJ-ZDUSSCGKSA-N 1 1 236.315 2.323 20 30 BEEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000815011595 586664228 /nfs/dbraw/zinc/66/42/28/586664228.db2.gz SIOLMFBWABPNEJ-ZDUSSCGKSA-N 1 1 236.315 2.323 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc2c(c1)COC2 ZINC000815282323 586676883 /nfs/dbraw/zinc/67/68/83/586676883.db2.gz RBDDJDATWGKMLZ-UHFFFAOYSA-N 1 1 215.296 2.172 20 30 BEEDMO CC#CC[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000815287089 586677116 /nfs/dbraw/zinc/67/71/16/586677116.db2.gz QMCZPADNWRXTNL-ZDUSSCGKSA-N 1 1 237.730 2.329 20 30 BEEDMO CC#CC[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000815285054 586677421 /nfs/dbraw/zinc/67/74/21/586677421.db2.gz BMBIKEWUGZUHMX-ZDUSSCGKSA-N 1 1 237.730 2.329 20 30 BEEDMO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000816648948 586751472 /nfs/dbraw/zinc/75/14/72/586751472.db2.gz RAWUCTMMSQUNJU-QWRGUYRKSA-N 1 1 240.310 2.046 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000816648948 586751473 /nfs/dbraw/zinc/75/14/73/586751473.db2.gz RAWUCTMMSQUNJU-QWRGUYRKSA-N 1 1 240.310 2.046 20 30 BEEDMO C#Cc1ccc(CN(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000817417652 586803416 /nfs/dbraw/zinc/80/34/16/586803416.db2.gz QZOJOJYTCJLXPE-INIZCTEOSA-N 1 1 242.366 2.194 20 30 BEEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCN2C)cc1 ZINC000817417652 586803417 /nfs/dbraw/zinc/80/34/17/586803417.db2.gz QZOJOJYTCJLXPE-INIZCTEOSA-N 1 1 242.366 2.194 20 30 BEEDMO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCCN2C)cc1 ZINC000817417652 586803419 /nfs/dbraw/zinc/80/34/19/586803419.db2.gz QZOJOJYTCJLXPE-INIZCTEOSA-N 1 1 242.366 2.194 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000859955592 589073639 /nfs/dbraw/zinc/07/36/39/589073639.db2.gz WJNMDEBTOMJZIH-HZSPNIEDSA-N 1 1 249.354 2.063 20 30 BEEDMO C[C@H](NN=C1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000819814624 586998428 /nfs/dbraw/zinc/99/84/28/586998428.db2.gz CTWRZWUQDUQWCP-NEPJUHHUSA-N 1 1 246.358 2.202 20 30 BEEDMO C[C@H](NN=C1CC[N@@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000819814626 586998573 /nfs/dbraw/zinc/99/85/73/586998573.db2.gz CTWRZWUQDUQWCP-RYUDHWBXSA-N 1 1 246.358 2.202 20 30 BEEDMO N#CCCC[C@H]([NH3+])c1nc(CC2CCCC2)no1 ZINC000823252519 587211314 /nfs/dbraw/zinc/21/13/14/587211314.db2.gz LLDQXAVUCJAWGE-NSHDSACASA-N 1 1 248.330 2.496 20 30 BEEDMO C=CCCc1noc([C@@H]2C[C@@H](C)CC[NH2+]2)n1 ZINC000823264459 587212352 /nfs/dbraw/zinc/21/23/52/587212352.db2.gz TUEIYAXTPIUWCV-UWVGGRQHSA-N 1 1 221.304 2.249 20 30 BEEDMO C#CCCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823606931 587232662 /nfs/dbraw/zinc/23/26/62/587232662.db2.gz XHLDGLKRDUSFCF-OAHLLOKOSA-N 1 1 231.339 2.239 20 30 BEEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000825625113 587327590 /nfs/dbraw/zinc/32/75/90/587327590.db2.gz GNEIWJUVSNFGDG-QWHCGFSZSA-N 1 1 238.375 2.189 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C2CCC2)cnn1C ZINC000825710695 587333343 /nfs/dbraw/zinc/33/33/43/587333343.db2.gz YMSRDIFNWYZOBV-LLVKDONJSA-N 1 1 231.343 2.141 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000825710695 587333345 /nfs/dbraw/zinc/33/33/45/587333345.db2.gz YMSRDIFNWYZOBV-LLVKDONJSA-N 1 1 231.343 2.141 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000826535270 587354023 /nfs/dbraw/zinc/35/40/23/587354023.db2.gz VAKMBYUDYHSHNK-ZDUSSCGKSA-N 1 1 243.354 2.138 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000826948139 587366577 /nfs/dbraw/zinc/36/65/77/587366577.db2.gz WCMLMTLODPJUDS-GFCCVEGCSA-N 1 1 217.316 2.265 20 30 BEEDMO Cc1cc(C[NH+]2CC(CC#N)C2)c(C)o1 ZINC000826990982 587367434 /nfs/dbraw/zinc/36/74/34/587367434.db2.gz PVRRPWUDNTYEKB-UHFFFAOYSA-N 1 1 204.273 2.242 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000827281070 587375363 /nfs/dbraw/zinc/37/53/63/587375363.db2.gz IEVQWWAQPQZZEC-JKSUJKDBSA-N 1 1 241.334 2.136 20 30 BEEDMO Cc1ccc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000827648526 587394168 /nfs/dbraw/zinc/39/41/68/587394168.db2.gz AOGMBBANRVNZHJ-CQSZACIVSA-N 1 1 230.311 2.436 20 30 BEEDMO C=CCCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000827661934 587395130 /nfs/dbraw/zinc/39/51/30/587395130.db2.gz WNUMBNHUZYMCGE-CYBMUJFWSA-N 1 1 239.359 2.428 20 30 BEEDMO C#Cc1ccc(C[N@H+](C)C2(CO)CCC2)cc1 ZINC000827903472 587408990 /nfs/dbraw/zinc/40/89/90/587408990.db2.gz ICPRGTXRBUKMNR-UHFFFAOYSA-N 1 1 229.323 2.015 20 30 BEEDMO C#CCN(C[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC000828891520 587469144 /nfs/dbraw/zinc/46/91/44/587469144.db2.gz RDHNLWDJRZOBNU-OAHLLOKOSA-N 1 1 234.387 2.347 20 30 BEEDMO C=CCCCC[N@H+]1CCC[C@]12CCOC2=O ZINC000828987653 587477777 /nfs/dbraw/zinc/47/77/77/587477777.db2.gz IVCKOHBEMNVGHP-CYBMUJFWSA-N 1 1 223.316 2.124 20 30 BEEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000829768495 587514751 /nfs/dbraw/zinc/51/47/51/587514751.db2.gz DUVNYPKGLBJMKI-ZIAGYGMSSA-N 1 1 221.344 2.291 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000829774369 587515199 /nfs/dbraw/zinc/51/51/99/587515199.db2.gz PKMRMEHZODAIAL-ZBFHGGJFSA-N 1 1 243.350 2.455 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](CCCc2cnn(C)c2)C1 ZINC000829779417 587515831 /nfs/dbraw/zinc/51/58/31/587515831.db2.gz UDNCPTPPMNLTCQ-CQSZACIVSA-N 1 1 245.370 2.088 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)CCOC)C1 ZINC000829784446 587516118 /nfs/dbraw/zinc/51/61/18/587516118.db2.gz KGTLAFMXZDPGTJ-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)CCC=C)C1 ZINC000829788807 587516167 /nfs/dbraw/zinc/51/61/67/587516167.db2.gz HDXMRRCJWBIWLJ-KGLIPLIRSA-N 1 1 221.344 2.049 20 30 BEEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)OCCC)C1 ZINC000829784901 587516281 /nfs/dbraw/zinc/51/62/81/587516281.db2.gz OBAWBBPJXLXTNY-OLZOCXBDSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](CCCSC)C1 ZINC000829784437 587516308 /nfs/dbraw/zinc/51/63/08/587516308.db2.gz KFIDWJZGORYQLK-LBPRGKRZSA-N 1 1 211.374 2.475 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000829810498 587518223 /nfs/dbraw/zinc/51/82/23/587518223.db2.gz QMTNLHDJSLPIBV-ZDUSSCGKSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2ncnn2C(C)C)C1 ZINC000829810498 587518225 /nfs/dbraw/zinc/51/82/25/587518225.db2.gz QMTNLHDJSLPIBV-ZDUSSCGKSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000829810914 587518249 /nfs/dbraw/zinc/51/82/49/587518249.db2.gz WFUSXYPPUUOCRM-AWEZNQCLSA-N 1 1 243.350 2.414 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000829810220 587518419 /nfs/dbraw/zinc/51/84/19/587518419.db2.gz NANUPDQUTYCFMH-MGPQQGTHSA-N 1 1 221.344 2.289 20 30 BEEDMO C#CC[C@H]1CCC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000829815495 587519691 /nfs/dbraw/zinc/51/96/91/587519691.db2.gz MSUYXKVAXNKUPD-ZDUSSCGKSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C(C)C)nn2)C1 ZINC000829815495 587519694 /nfs/dbraw/zinc/51/96/94/587519694.db2.gz MSUYXKVAXNKUPD-ZDUSSCGKSA-N 1 1 246.358 2.094 20 30 BEEDMO C#CCCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000830603289 587559752 /nfs/dbraw/zinc/55/97/52/587559752.db2.gz NLQRENOUJQRQBR-CYBMUJFWSA-N 1 1 221.344 2.291 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831010605 587582558 /nfs/dbraw/zinc/58/25/58/587582558.db2.gz YABZSVAXINBILT-QMIVOQANSA-N 1 1 246.354 2.059 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000831539723 587617785 /nfs/dbraw/zinc/61/77/85/587617785.db2.gz VNDMXGRKCVVIIQ-JTQLQIEISA-N 1 1 217.740 2.486 20 30 BEEDMO C=CC(C)(C)CCCNC(=O)C[N@H+](C)CCC ZINC000832725578 587679858 /nfs/dbraw/zinc/67/98/58/587679858.db2.gz GOMVSUQMBVBIFO-UHFFFAOYSA-N 1 1 240.391 2.437 20 30 BEEDMO C=C(Cl)CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000832778633 587688569 /nfs/dbraw/zinc/68/85/69/587688569.db2.gz MXOXEMGCEHMPJW-LLVKDONJSA-N 1 1 216.756 2.153 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)[C@H]1CCCC[C@H]1C ZINC000834916296 587770885 /nfs/dbraw/zinc/77/08/85/587770885.db2.gz YKHHZDWXTRQULQ-OCCSQVGLSA-N 1 1 237.391 2.436 20 30 BEEDMO CC(C)C[C@H]1CCCC(N=NC2=[NH+]CCN2)C1 ZINC000841659262 587968745 /nfs/dbraw/zinc/96/87/45/587968745.db2.gz ILMSGPBSFOHCOI-LLVKDONJSA-N 1 1 236.363 2.128 20 30 BEEDMO C#CC[N@@H+](CC#CC)C[C@@H](CC(C)C)OC ZINC000842149556 588003208 /nfs/dbraw/zinc/00/32/08/588003208.db2.gz ABNAZGBXVCLNCU-CQSZACIVSA-N 1 1 221.344 2.006 20 30 BEEDMO C#CCC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000842170600 588006448 /nfs/dbraw/zinc/00/64/48/588006448.db2.gz KCIGJPOAMODOJP-LBPRGKRZSA-N 1 1 209.358 2.227 20 30 BEEDMO CCCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000842550240 588041356 /nfs/dbraw/zinc/04/13/56/588041356.db2.gz AUTOOEZBEDHDHK-BETUJISGSA-N 1 1 240.347 2.042 20 30 BEEDMO C=CCC(C)(C)c1noc(C[NH2+]CC)n1 ZINC000843234819 588094941 /nfs/dbraw/zinc/09/49/41/588094941.db2.gz JPXSPPCZLUIPPP-UHFFFAOYSA-N 1 1 209.293 2.033 20 30 BEEDMO C=CCC(C)(C)c1noc(C[NH2+]C2CC2)n1 ZINC000843234802 588095019 /nfs/dbraw/zinc/09/50/19/588095019.db2.gz IZXBHZQUQCFQMV-UHFFFAOYSA-N 1 1 221.304 2.175 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843420894 588107556 /nfs/dbraw/zinc/10/75/56/588107556.db2.gz LAXZVLOGGMZFTG-CVEARBPZSA-N 1 1 241.334 2.279 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000843423875 588107896 /nfs/dbraw/zinc/10/78/96/588107896.db2.gz LGLGSOFYZZXFEF-CYBMUJFWSA-N 1 1 216.328 2.260 20 30 BEEDMO C#CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000844346137 588186382 /nfs/dbraw/zinc/18/63/82/588186382.db2.gz IQNJNPAUUAWTBG-UHFFFAOYSA-N 1 1 243.354 2.065 20 30 BEEDMO C#CC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356552 588187428 /nfs/dbraw/zinc/18/74/28/588187428.db2.gz DSGAXPDOEPGICZ-CQSZACIVSA-N 1 1 217.287 2.422 20 30 BEEDMO C#CC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372865 588188303 /nfs/dbraw/zinc/18/83/03/588188303.db2.gz HKPSJIBANNXTKE-CQSZACIVSA-N 1 1 249.741 2.257 20 30 BEEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000844391805 588188894 /nfs/dbraw/zinc/18/88/94/588188894.db2.gz CBNWCXLGQHOTBK-QWHCGFSZSA-N 1 1 229.364 2.038 20 30 BEEDMO C=CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398758 588189645 /nfs/dbraw/zinc/18/96/45/588189645.db2.gz BOAPDLVBAMNKMZ-UHFFFAOYSA-N 1 1 234.343 2.249 20 30 BEEDMO C=C(C)CON=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000844618909 588208689 /nfs/dbraw/zinc/20/86/89/588208689.db2.gz NJPKOLJSGHGBAH-LLVKDONJSA-N 1 1 210.321 2.295 20 30 BEEDMO C=C[C@H](C)O[NH+]=C(C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000844623313 588210470 /nfs/dbraw/zinc/21/04/70/588210470.db2.gz CJBIRFJJKNTIGH-QMMMGPOBSA-N 1 1 249.270 2.492 20 30 BEEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OCC)C1 ZINC000845962787 588251892 /nfs/dbraw/zinc/25/18/92/588251892.db2.gz BMPXSULQCCFFET-QJPTWQEYSA-N 1 1 225.332 2.272 20 30 BEEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)OCC)C1 ZINC000845962790 588251943 /nfs/dbraw/zinc/25/19/43/588251943.db2.gz BMPXSULQCCFFET-UTUOFQBUSA-N 1 1 225.332 2.272 20 30 BEEDMO C=CCCn1cc(C[N@H+](CC)C(C)C)nn1 ZINC000846777050 588287798 /nfs/dbraw/zinc/28/77/98/588287798.db2.gz CPIKJUNBAIAZGQ-UHFFFAOYSA-N 1 1 222.336 2.085 20 30 BEEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000846992901 588300556 /nfs/dbraw/zinc/30/05/56/588300556.db2.gz MCIJXFFDSUIKNP-OLZOCXBDSA-N 1 1 236.290 2.141 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000847018850 588302269 /nfs/dbraw/zinc/30/22/69/588302269.db2.gz NBBUPCDYUSUEIT-GDBMZVCRSA-N 1 1 243.350 2.455 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000847019653 588302387 /nfs/dbraw/zinc/30/23/87/588302387.db2.gz SNGLVBXRMCBAIN-JTQLQIEISA-N 1 1 213.271 2.377 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)C1 ZINC000847021385 588302492 /nfs/dbraw/zinc/30/24/92/588302492.db2.gz LAZKPGYBVCUUIX-ZDUSSCGKSA-N 1 1 229.323 2.024 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC000847021021 588302717 /nfs/dbraw/zinc/30/27/17/588302717.db2.gz HPIXKNJFGGOVMK-QWHCGFSZSA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000847021020 588302729 /nfs/dbraw/zinc/30/27/29/588302729.db2.gz HPIXKNJFGGOVMK-OLZOCXBDSA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(C)s2)C1 ZINC000847021568 588302783 /nfs/dbraw/zinc/30/27/83/588302783.db2.gz NTKCODHKIDMTGR-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(C)s2)C1 ZINC000847021568 588302784 /nfs/dbraw/zinc/30/27/84/588302784.db2.gz NTKCODHKIDMTGR-LLVKDONJSA-N 1 1 220.341 2.297 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC000847023451 588303307 /nfs/dbraw/zinc/30/33/07/588303307.db2.gz CILKXYDUUOKFKZ-NSHDSACASA-N 1 1 218.300 2.082 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(CC)o2)C1 ZINC000847023451 588303308 /nfs/dbraw/zinc/30/33/08/588303308.db2.gz CILKXYDUUOKFKZ-NSHDSACASA-N 1 1 218.300 2.082 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000847025760 588303523 /nfs/dbraw/zinc/30/35/23/588303523.db2.gz WUQNFBXTSNGGJA-GHMZBOCLSA-N 1 1 233.315 2.038 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000847025760 588303524 /nfs/dbraw/zinc/30/35/24/588303524.db2.gz WUQNFBXTSNGGJA-GHMZBOCLSA-N 1 1 233.315 2.038 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000847024713 588303840 /nfs/dbraw/zinc/30/38/40/588303840.db2.gz RRFFECDEFSXBJH-WFASDCNBSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CC(=C)Br)C1 ZINC000847026418 588304107 /nfs/dbraw/zinc/30/41/07/588304107.db2.gz YUDGKKJRYZRJET-SNVBAGLBSA-N 1 1 228.133 2.240 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CC(=C)Br)C1 ZINC000847026418 588304108 /nfs/dbraw/zinc/30/41/08/588304108.db2.gz YUDGKKJRYZRJET-SNVBAGLBSA-N 1 1 228.133 2.240 20 30 BEEDMO C=C(C)C(C)(C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847817613 588333359 /nfs/dbraw/zinc/33/33/59/588333359.db2.gz KULLWHDJIWCXQX-LBPRGKRZSA-N 1 1 239.359 2.474 20 30 BEEDMO CCOCCON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848409078 588379575 /nfs/dbraw/zinc/37/95/75/588379575.db2.gz KXRLRONHKLOHGF-CYBMUJFWSA-N 1 1 240.347 2.044 20 30 BEEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)c(F)c1 ZINC000848521162 588390930 /nfs/dbraw/zinc/39/09/30/588390930.db2.gz RLXKLXDDUXMVKR-KWQFWETISA-N 1 1 247.273 2.352 20 30 BEEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000848521118 588391165 /nfs/dbraw/zinc/39/11/65/588391165.db2.gz SIXCZWOZJMHQPS-BXKDBHETSA-N 1 1 229.283 2.213 20 30 BEEDMO C[C@@H]1C[C@H]1c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848624254 588401715 /nfs/dbraw/zinc/40/17/15/588401715.db2.gz SQYAIDZDBMZKCW-OPRDCNLKSA-N 1 1 234.303 2.277 20 30 BEEDMO C[C@@H]1C[C@@H]1c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848624255 588401774 /nfs/dbraw/zinc/40/17/74/588401774.db2.gz SQYAIDZDBMZKCW-UTLUCORTSA-N 1 1 234.303 2.277 20 30 BEEDMO CC(C)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848617812 588401991 /nfs/dbraw/zinc/40/19/91/588401991.db2.gz NDIYLMZKHNTKEF-VIFPVBQESA-N 1 1 222.292 2.277 20 30 BEEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000107801421 588409770 /nfs/dbraw/zinc/40/97/70/588409770.db2.gz SKRANFPLRNJZQP-SNVBAGLBSA-N 1 1 203.713 2.097 20 30 BEEDMO Cc1[nH+]ccn1CCCOC(=O)CCCCC#N ZINC000848864823 588415776 /nfs/dbraw/zinc/41/57/76/588415776.db2.gz MSSNGGDYTDHHSZ-UHFFFAOYSA-N 1 1 249.314 2.209 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2conc2CC)C1 ZINC000848924002 588418306 /nfs/dbraw/zinc/41/83/06/588418306.db2.gz MDFLKXLAWIIKNJ-NSHDSACASA-N 1 1 218.300 2.082 20 30 BEEDMO C#C[C@H]([NH2+]Cc1cc2n(n1)CCCC2)C(C)(C)C ZINC000848911812 588419354 /nfs/dbraw/zinc/41/93/54/588419354.db2.gz ILDDBPKFTZEDCL-AWEZNQCLSA-N 1 1 245.370 2.357 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000848923390 588421237 /nfs/dbraw/zinc/42/12/37/588421237.db2.gz CYLFNIQFSNHVTQ-NSHDSACASA-N 1 1 233.286 2.377 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000848923378 588421309 /nfs/dbraw/zinc/42/13/09/588421309.db2.gz CSQYDOLGVMQZAL-ZDUSSCGKSA-N 1 1 239.322 2.180 20 30 BEEDMO Cc1cc(F)ccc1[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000849326087 588473084 /nfs/dbraw/zinc/47/30/84/588473084.db2.gz CIFLYMSZEQAUNA-AWEZNQCLSA-N 1 1 248.301 2.013 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccnn1CC1CC1 ZINC000850146269 588521857 /nfs/dbraw/zinc/52/18/57/588521857.db2.gz RPWJNWFBEZQPKC-UHFFFAOYSA-N 1 1 225.723 2.135 20 30 BEEDMO C#CCOCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000851711818 588615376 /nfs/dbraw/zinc/61/53/76/588615376.db2.gz GNTNPMBDGBEGTA-UHFFFAOYSA-N 1 1 247.313 2.440 20 30 BEEDMO C=CC[NH+](CC=C)Cc1cccc(F)n1 ZINC000851726578 588617862 /nfs/dbraw/zinc/61/78/62/588617862.db2.gz SQNPYXYKTHMPMH-UHFFFAOYSA-N 1 1 206.264 2.395 20 30 BEEDMO C#CCOCC[N@H+](CC=C)CCc1ccccc1 ZINC000851738090 588620748 /nfs/dbraw/zinc/62/07/48/588620748.db2.gz VPRNVBGHTCEXCI-UHFFFAOYSA-N 1 1 243.350 2.367 20 30 BEEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CC[C@H](OC)C1 ZINC000851741210 588621492 /nfs/dbraw/zinc/62/14/92/588621492.db2.gz BRVHXTROZMMSBP-WOPDTQHZSA-N 1 1 210.321 2.035 20 30 BEEDMO C#CCOCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000851780099 588627239 /nfs/dbraw/zinc/62/72/39/588627239.db2.gz FSLVNPYSPHUTIR-UHFFFAOYSA-N 1 1 249.741 2.348 20 30 BEEDMO C#CCOCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000851780099 588627240 /nfs/dbraw/zinc/62/72/40/588627240.db2.gz FSLVNPYSPHUTIR-UHFFFAOYSA-N 1 1 249.741 2.348 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000851786167 588628978 /nfs/dbraw/zinc/62/89/78/588628978.db2.gz QZGJOZFGSKUUKS-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@@H+](CC)CCOCc1ccccc1 ZINC000851798490 588630145 /nfs/dbraw/zinc/63/01/45/588630145.db2.gz DHIGWYLRSDYSFY-UHFFFAOYSA-N 1 1 217.312 2.158 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H](CCC)C1 ZINC000851807197 588631622 /nfs/dbraw/zinc/63/16/22/588631622.db2.gz BJLYLXSEUFBWSV-CYBMUJFWSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000851807931 588631653 /nfs/dbraw/zinc/63/16/53/588631653.db2.gz CNXURQGIYMSVTB-AWEZNQCLSA-N 1 1 223.360 2.394 20 30 BEEDMO C#CCOCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000851870197 588637241 /nfs/dbraw/zinc/63/72/41/588637241.db2.gz AFARAKFHXLZIED-UHFFFAOYSA-N 1 1 243.350 2.430 20 30 BEEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000851877885 588638566 /nfs/dbraw/zinc/63/85/66/588638566.db2.gz UYJYTOQJAVJAST-KGLIPLIRSA-N 1 1 212.296 2.195 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](CC)c1ccncc1 ZINC000851878444 588639190 /nfs/dbraw/zinc/63/91/90/588639190.db2.gz LCMGHCYAKKLIRZ-AWEZNQCLSA-N 1 1 232.327 2.114 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000851920818 588644000 /nfs/dbraw/zinc/64/40/00/588644000.db2.gz SGJCLUJLEZHZAR-BFHYXJOUSA-N 1 1 221.344 2.147 20 30 BEEDMO C#CCOCC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000851935415 588645998 /nfs/dbraw/zinc/64/59/98/588645998.db2.gz UXLAKFGZLKFBBI-UKRRQHHQSA-N 1 1 244.338 2.114 20 30 BEEDMO C#C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCO1 ZINC000851951480 588647653 /nfs/dbraw/zinc/64/76/53/588647653.db2.gz XFZGXWVJYQAUTG-RKDXNWHRSA-N 1 1 234.126 2.076 20 30 BEEDMO C#CC[N@H+](C)C[C@H](C)c1ccc(OC)cc1 ZINC000851977950 588650448 /nfs/dbraw/zinc/65/04/48/588650448.db2.gz IEWMTZVZDMCEHL-LBPRGKRZSA-N 1 1 217.312 2.364 20 30 BEEDMO C#CC[N@H+](C)C[C@@H](C)c1ccc(OC)cc1 ZINC000851977949 588650550 /nfs/dbraw/zinc/65/05/50/588650550.db2.gz IEWMTZVZDMCEHL-GFCCVEGCSA-N 1 1 217.312 2.364 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1COC(C)(C)O1 ZINC000851993613 588653188 /nfs/dbraw/zinc/65/31/88/588653188.db2.gz CURNVMKJYJZYDA-VXGBXAGGSA-N 1 1 225.332 2.178 20 30 BEEDMO C#CCOCC[N@@H+]1CCc2cccc(Cl)c2C1 ZINC000852160621 588668304 /nfs/dbraw/zinc/66/83/04/588668304.db2.gz IMJPXGCRVHRISW-UHFFFAOYSA-N 1 1 249.741 2.348 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000852160621 588668305 /nfs/dbraw/zinc/66/83/05/588668305.db2.gz IMJPXGCRVHRISW-UHFFFAOYSA-N 1 1 249.741 2.348 20 30 BEEDMO C#CC[C@H]1CCC[N@H+](Cc2coc(C)n2)C1 ZINC000852206580 588671926 /nfs/dbraw/zinc/67/19/26/588671926.db2.gz MSUCMDFSMIGINR-LBPRGKRZSA-N 1 1 218.300 2.218 20 30 BEEDMO C#CCOCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000852208980 588672072 /nfs/dbraw/zinc/67/20/72/588672072.db2.gz LIJIHAPMZFUCBF-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852319279 588677764 /nfs/dbraw/zinc/67/77/64/588677764.db2.gz JGUMXNNAIHMVDU-YNEHKIRRSA-N 1 1 222.332 2.180 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000852410242 588680637 /nfs/dbraw/zinc/68/06/37/588680637.db2.gz KIJSKTYWHHKFQS-QWHCGFSZSA-N 1 1 222.332 2.203 20 30 BEEDMO Cc1ccc2c(c1)C[N@@H+](CCO[C@@H](C)C#N)CC2 ZINC000852404619 588681055 /nfs/dbraw/zinc/68/10/55/588681055.db2.gz RGYIQWQRRQNRAX-ZDUSSCGKSA-N 1 1 244.338 2.282 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852410287 588681180 /nfs/dbraw/zinc/68/11/80/588681180.db2.gz LCROAUBTJYYSGS-CHWSQXEVSA-N 1 1 239.359 2.426 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412133 588681371 /nfs/dbraw/zinc/68/13/71/588681371.db2.gz ZACJVIUTCAREAR-CHWSQXEVSA-N 1 1 249.354 2.370 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000852411760 588681470 /nfs/dbraw/zinc/68/14/70/588681470.db2.gz VJFHUSBJRYDLSQ-CHWSQXEVSA-N 1 1 237.343 2.228 20 30 BEEDMO C=CC[C@@H]1CCC[N@@H+](CCC2OCCO2)C1 ZINC000852410477 588681556 /nfs/dbraw/zinc/68/15/56/588681556.db2.gz MMZQIFAKGQASTG-GFCCVEGCSA-N 1 1 225.332 2.038 20 30 BEEDMO C=CC[N@H+](CC[C@@H]1CCOC1=O)C(C)(C)C ZINC000852554502 588689459 /nfs/dbraw/zinc/68/94/59/588689459.db2.gz PAAKNERZKKPGPO-LLVKDONJSA-N 1 1 225.332 2.226 20 30 BEEDMO C=CC[N@H+](CCO[C@H](C)C#N)C(C)(C)C ZINC000852554062 588689540 /nfs/dbraw/zinc/68/95/40/588689540.db2.gz BGLFJNCMSIIQEP-LLVKDONJSA-N 1 1 210.321 2.202 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nonc1C ZINC000852685700 588695757 /nfs/dbraw/zinc/69/57/57/588695757.db2.gz IXHQRKXWSYMFFH-PHIMTYICSA-N 1 1 219.288 2.061 20 30 BEEDMO Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852684781 588695784 /nfs/dbraw/zinc/69/57/84/588695784.db2.gz OCDSDHKQEJVZEL-GJZGRUSLSA-N 1 1 244.338 2.264 20 30 BEEDMO Cc1ccc([C@@H](O)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852684781 588695785 /nfs/dbraw/zinc/69/57/85/588695785.db2.gz OCDSDHKQEJVZEL-GJZGRUSLSA-N 1 1 244.338 2.264 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CCCC1 ZINC000852687781 588696176 /nfs/dbraw/zinc/69/61/76/588696176.db2.gz NWIWSXPBBONIMA-OKILXGFUSA-N 1 1 248.370 2.182 20 30 BEEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CC1(C)C ZINC000852774741 588701846 /nfs/dbraw/zinc/70/18/46/588701846.db2.gz YHEDPAOXIORPPH-RYUDHWBXSA-N 1 1 219.332 2.408 20 30 BEEDMO C#CC[N@H+](C[C@@]1(C)CCCS1)C1CC1 ZINC000862326048 589201250 /nfs/dbraw/zinc/20/12/50/589201250.db2.gz IWQSLDFMCITZJF-GFCCVEGCSA-N 1 1 209.358 2.370 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc(F)c2C)C1 ZINC000862401192 589209099 /nfs/dbraw/zinc/20/90/99/589209099.db2.gz ATOUOGCJABEIOH-LBPRGKRZSA-N 1 1 232.302 2.374 20 30 BEEDMO C=CCCCCC[C@H](C)[NH2+]Cc1c[nH]nn1 ZINC000862424272 589211327 /nfs/dbraw/zinc/21/13/27/589211327.db2.gz KMQBDZJVKCNPSX-NSHDSACASA-N 1 1 222.336 2.419 20 30 BEEDMO C=CCCCCC[C@H](C)[NH2+]Cc1cn[nH]n1 ZINC000862424272 589211328 /nfs/dbraw/zinc/21/13/28/589211328.db2.gz KMQBDZJVKCNPSX-NSHDSACASA-N 1 1 222.336 2.419 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000862443618 589213900 /nfs/dbraw/zinc/21/39/00/589213900.db2.gz REBBORRCSCXHQJ-AWEZNQCLSA-N 1 1 224.307 2.403 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cn2)C1 ZINC000862445158 589214252 /nfs/dbraw/zinc/21/42/52/589214252.db2.gz NHMMEWIDIDSKEV-CYBMUJFWSA-N 1 1 244.338 2.326 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC000862444775 589214612 /nfs/dbraw/zinc/21/46/12/589214612.db2.gz HBDDBEAAGXFXTH-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnc(F)c2C)C1 ZINC000862447936 589215019 /nfs/dbraw/zinc/21/50/19/589215019.db2.gz SRWATSWDFLEJOX-GFCCVEGCSA-N 1 1 232.302 2.374 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)nc2C)C1 ZINC000862448035 589215550 /nfs/dbraw/zinc/21/55/50/589215550.db2.gz VPMMEAKMVDSQJP-GFCCVEGCSA-N 1 1 232.302 2.374 20 30 BEEDMO CSCCON=C1CC[N@@H+](C)C(C)(C)C1 ZINC000863109362 589257359 /nfs/dbraw/zinc/25/73/59/589257359.db2.gz LKUYTMDKACGMGW-UHFFFAOYSA-N 1 1 230.377 2.226 20 30 BEEDMO C[N@H+]1CCC(=NOCc2cccnc2)CC1(C)C ZINC000863103599 589256010 /nfs/dbraw/zinc/25/60/10/589256010.db2.gz DTSAOFVFYKCSSO-UHFFFAOYSA-N 1 1 247.342 2.458 20 30 BEEDMO C[N@H+]1CCC(=NOC2CCOCC2)CC1(C)C ZINC000863108217 589256964 /nfs/dbraw/zinc/25/69/64/589256964.db2.gz MPRPFRDKKCUSOA-UHFFFAOYSA-N 1 1 240.347 2.042 20 30 BEEDMO Cc1cccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)n1 ZINC000863159928 589264808 /nfs/dbraw/zinc/26/48/08/589264808.db2.gz KKVWWTOZFBBBCD-NSHDSACASA-N 1 1 244.342 2.415 20 30 BEEDMO CC(C)(C#N)[C@H]1CCCC1=[NH+]n1cccn1 ZINC000863163628 589266128 /nfs/dbraw/zinc/26/61/28/589266128.db2.gz KXMLQPWZZYMUMJ-JTQLQIEISA-N 1 1 216.288 2.437 20 30 BEEDMO Cn1nccc1[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163534 589266323 /nfs/dbraw/zinc/26/63/23/589266323.db2.gz HPSUGFDHOCSULF-NSHDSACASA-N 1 1 243.314 2.179 20 30 BEEDMO CCOC(=O)[C@H]1CCC(=[NH+]n2cccn2)C[C@H]1C ZINC000863164817 589266569 /nfs/dbraw/zinc/26/65/69/589266569.db2.gz VYUCNTNEUMRIDO-PWSUYJOCSA-N 1 1 249.314 2.087 20 30 BEEDMO CC(CCc1ccco1)=[NH+]n1cccn1 ZINC000863165613 589267118 /nfs/dbraw/zinc/26/71/18/589267118.db2.gz HLUJFVJQPPNKIS-UHFFFAOYSA-N 1 1 203.245 2.333 20 30 BEEDMO CCCCCCC[N@@H+](CCC)CC(=O)NC ZINC000120165185 589388601 /nfs/dbraw/zinc/38/86/01/589388601.db2.gz UKRHJSSMMOLWIT-UHFFFAOYSA-N 1 1 228.380 2.415 20 30 BEEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)cc3)CC[C@@H]21 ZINC000866208361 589480485 /nfs/dbraw/zinc/48/04/85/589480485.db2.gz UAPSZKYTPDNSNC-ZFWWWQNUSA-N 1 1 241.338 2.089 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000866584633 589501559 /nfs/dbraw/zinc/50/15/59/589501559.db2.gz PLWDITPOSJZKHO-NDBYEHHHSA-N 1 1 236.384 2.364 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCCO2)no1 ZINC000871788004 589819440 /nfs/dbraw/zinc/81/94/40/589819440.db2.gz HOFZSLCIJWCHPT-YUMQZZPRSA-N 1 1 243.694 2.064 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2C[C@@H]2C)no1 ZINC000872175448 589888398 /nfs/dbraw/zinc/88/83/98/589888398.db2.gz MIHRXNZNNPXWNP-GEVIPFJHSA-N 1 1 227.695 2.335 20 30 BEEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2C[C@H]2C)no1 ZINC000872175449 589888531 /nfs/dbraw/zinc/88/85/31/589888531.db2.gz MIHRXNZNNPXWNP-NJUXHZRNSA-N 1 1 227.695 2.335 20 30 BEEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCCCC#N)[C@@H]1O ZINC000872256379 589900936 /nfs/dbraw/zinc/90/09/36/589900936.db2.gz QLLOTTFFGAUIPI-XQQFMLRXSA-N 1 1 236.359 2.162 20 30 BEEDMO Cc1cc(C)cc(CC=NN2CC[NH+](C)CC2)c1 ZINC000872325424 589912998 /nfs/dbraw/zinc/91/29/98/589912998.db2.gz QWIBKEPAPYMIOW-UHFFFAOYSA-N 1 1 245.370 2.079 20 30 BEEDMO Brc1cnn([NH+]=C2CC[C@@H]3C[C@H]23)c1 ZINC000872359386 589918883 /nfs/dbraw/zinc/91/88/83/589918883.db2.gz BYPADKKUFBOSFD-SVRRBLITSA-N 1 1 240.104 2.280 20 30 BEEDMO C[C@H]1C(=NNCCc2ccccc2F)CC[N@H+]1C ZINC000872359206 589918955 /nfs/dbraw/zinc/91/89/55/589918955.db2.gz VTAJAFKXLPWRTI-NSHDSACASA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@H]1C(=NNCCc2ccccc2F)CC[N@@H+]1C ZINC000872359206 589918956 /nfs/dbraw/zinc/91/89/56/589918956.db2.gz VTAJAFKXLPWRTI-NSHDSACASA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@H]1C(=NOCc2ccc(F)cc2)CC[N@@H+]1C ZINC000872365399 589920542 /nfs/dbraw/zinc/92/05/42/589920542.db2.gz PGWXQAINBGKAKN-JTQLQIEISA-N 1 1 236.290 2.422 20 30 BEEDMO CC(C)O[NH+]=Cc1cc(C#N)ccc1N(C)C ZINC000872380279 589928246 /nfs/dbraw/zinc/92/82/46/589928246.db2.gz FLMRQLAWVTXWPL-UHFFFAOYSA-N 1 1 231.299 2.383 20 30 BEEDMO CCCO[NH+]=Cc1cc(C#N)ccc1N(C)C ZINC000872384683 589929211 /nfs/dbraw/zinc/92/92/11/589929211.db2.gz UIUBJMLHUYBUKZ-UHFFFAOYSA-N 1 1 231.299 2.385 20 30 BEEDMO CC(C)(C)[C@H]1CC(=[NH+]n2cccn2)CCO1 ZINC000872393010 589931802 /nfs/dbraw/zinc/93/18/02/589931802.db2.gz HUYOPSDVNNFSRL-LLVKDONJSA-N 1 1 221.304 2.312 20 30 BEEDMO CC(C)(C)[C@@H]1CC(=[NH+]n2cccn2)CCO1 ZINC000872393011 589932173 /nfs/dbraw/zinc/93/21/73/589932173.db2.gz HUYOPSDVNNFSRL-NSHDSACASA-N 1 1 221.304 2.312 20 30 BEEDMO C[C@H]1C(=NNC[C@@H]2CCCC2(F)F)CC[N@H+]1C ZINC000872404841 589935565 /nfs/dbraw/zinc/93/55/65/589935565.db2.gz FRKNIUWGIKXTJX-UWVGGRQHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@H]1C(=NNC[C@@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000872404841 589935566 /nfs/dbraw/zinc/93/55/66/589935566.db2.gz FRKNIUWGIKXTJX-UWVGGRQHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1C(=NNC[C@H]2CCCC2(F)F)CC[N@H+]1C ZINC000872404840 589935584 /nfs/dbraw/zinc/93/55/84/589935584.db2.gz FRKNIUWGIKXTJX-NXEZZACHSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1C(=NNC[C@H]2CCCC2(F)F)CC[N@@H+]1C ZINC000872404840 589935585 /nfs/dbraw/zinc/93/55/85/589935585.db2.gz FRKNIUWGIKXTJX-NXEZZACHSA-N 1 1 245.317 2.091 20 30 BEEDMO CC(C)(C#N)CNc1cc[nH+]cc1C1CC1 ZINC000872506297 589944384 /nfs/dbraw/zinc/94/43/84/589944384.db2.gz SCRYBVOIVLKYHK-UHFFFAOYSA-N 1 1 215.300 2.343 20 30 BEEDMO C#C[C@H]1CC[C@H](Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000872781051 589969783 /nfs/dbraw/zinc/96/97/83/589969783.db2.gz WBUGXTRLIDVOAJ-HAQNSBGRSA-N 1 1 244.342 2.147 20 30 BEEDMO CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)NC1 ZINC000873237580 590003758 /nfs/dbraw/zinc/00/37/58/590003758.db2.gz RCWDCVMFZAXEGB-HZSPNIEDSA-N 1 1 249.402 2.437 20 30 BEEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1N ZINC000873279602 590017309 /nfs/dbraw/zinc/01/73/09/590017309.db2.gz JLFITTDJJKPGQH-NEPJUHHUSA-N 1 1 210.365 2.448 20 30 BEEDMO C=C(Cl)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000124640423 590068276 /nfs/dbraw/zinc/06/82/76/590068276.db2.gz HGYXGTJVXSLKSS-LLVKDONJSA-N 1 1 217.740 2.486 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000124640423 590068277 /nfs/dbraw/zinc/06/82/77/590068277.db2.gz HGYXGTJVXSLKSS-LLVKDONJSA-N 1 1 217.740 2.486 20 30 BEEDMO CC[C@@H](C#N)OC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000125348615 590162156 /nfs/dbraw/zinc/16/21/56/590162156.db2.gz HJIDKVFUGUSDFD-RYUDHWBXSA-N 1 1 238.331 2.096 20 30 BEEDMO CC(C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876528183 590209268 /nfs/dbraw/zinc/20/92/68/590209268.db2.gz RUTSKUWWYFMREO-UHFFFAOYSA-N 1 1 231.343 2.464 20 30 BEEDMO CC(C)C[N@H+](CCC#N)CCC[C@@H]1CCO1 ZINC000876529998 590209514 /nfs/dbraw/zinc/20/95/14/590209514.db2.gz NJFFBXRFZHLXGP-CYBMUJFWSA-N 1 1 224.348 2.427 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876636121 590224236 /nfs/dbraw/zinc/22/42/36/590224236.db2.gz CJROVMWCKWVACJ-GFCCVEGCSA-N 1 1 243.354 2.466 20 30 BEEDMO C#CCCCCCC[N@H+](C)C(C)(C)C(=O)OC ZINC000876678999 590229676 /nfs/dbraw/zinc/22/96/76/590229676.db2.gz UWSCCXNXMFZVEG-UHFFFAOYSA-N 1 1 239.359 2.454 20 30 BEEDMO C#CCCCCCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000876730834 590234178 /nfs/dbraw/zinc/23/41/78/590234178.db2.gz LXVOMWIBAAZELH-OAHLLOKOSA-N 1 1 236.403 2.454 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000876730834 590234180 /nfs/dbraw/zinc/23/41/80/590234180.db2.gz LXVOMWIBAAZELH-OAHLLOKOSA-N 1 1 236.403 2.454 20 30 BEEDMO C#CCCCCCC[N@H+](C)CC[C@@H](C)O ZINC000876745949 590236391 /nfs/dbraw/zinc/23/63/91/590236391.db2.gz NFEKBVSJYHXHPR-CYBMUJFWSA-N 1 1 211.349 2.273 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@](C)(O)C1 ZINC000876790677 590241650 /nfs/dbraw/zinc/24/16/50/590241650.db2.gz BFXSPEZSHMAMIV-ZDUSSCGKSA-N 1 1 209.333 2.027 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877183901 590298044 /nfs/dbraw/zinc/29/80/44/590298044.db2.gz JHFPGTMFMSFBIZ-KBPBESRZSA-N 1 1 223.360 2.273 20 30 BEEDMO C#CCCCCCC[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877183906 590298068 /nfs/dbraw/zinc/29/80/68/590298068.db2.gz JHFPGTMFMSFBIZ-ZIAGYGMSSA-N 1 1 223.360 2.273 20 30 BEEDMO C#CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C ZINC000877467313 590333846 /nfs/dbraw/zinc/33/38/46/590333846.db2.gz FEPCGSIHXMFEDG-CHWSQXEVSA-N 1 1 209.333 2.025 20 30 BEEDMO N#CC1(C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877493849 590340781 /nfs/dbraw/zinc/34/07/81/590340781.db2.gz IMLNTUYNLFLEHP-UHFFFAOYSA-N 1 1 235.718 2.316 20 30 BEEDMO C[C@@H](CCC#N)C[NH+]1CC(O)(c2ccccc2)C1 ZINC000877537986 590350826 /nfs/dbraw/zinc/35/08/26/590350826.db2.gz ZMLPJHLSXDYCLM-ZDUSSCGKSA-N 1 1 244.338 2.130 20 30 BEEDMO C#CCCCCCC[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576805 590363660 /nfs/dbraw/zinc/36/36/60/590363660.db2.gz QCLQJFVXRZVXIM-KGLIPLIRSA-N 1 1 223.360 2.273 20 30 BEEDMO C#CC[C@@H]([NH2+][C@H](CCC)C1CCC1)C(=O)OC ZINC000877583760 590366843 /nfs/dbraw/zinc/36/68/43/590366843.db2.gz UGHPLGYWIDVFCJ-CHWSQXEVSA-N 1 1 237.343 2.110 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](C[C@H](CCC)OC)C1 ZINC000877617311 590374692 /nfs/dbraw/zinc/37/46/92/590374692.db2.gz NQIHMNPHBCROTG-OLZOCXBDSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCC[N@H+](CCOC)C[C@@H](OC)[C@@H](C)CC ZINC000877641106 590383474 /nfs/dbraw/zinc/38/34/74/590383474.db2.gz LZXWLYOJDNITCO-UONOGXRCSA-N 1 1 241.375 2.019 20 30 BEEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cocn1 ZINC000877704798 590397152 /nfs/dbraw/zinc/39/71/52/590397152.db2.gz WBKZCKNJQACNAA-UHFFFAOYSA-N 1 1 241.294 2.221 20 30 BEEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cocn1 ZINC000877704798 590397155 /nfs/dbraw/zinc/39/71/55/590397155.db2.gz WBKZCKNJQACNAA-UHFFFAOYSA-N 1 1 241.294 2.221 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)o1 ZINC000877742088 590409665 /nfs/dbraw/zinc/40/96/65/590409665.db2.gz XLMPRVZKCWCSNC-MNOVXSKESA-N 1 1 248.351 2.336 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877751653 590416164 /nfs/dbraw/zinc/41/61/64/590416164.db2.gz IVDAHEDMLFLVCY-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877751652 590416198 /nfs/dbraw/zinc/41/61/98/590416198.db2.gz IVDAHEDMLFLVCY-NEPJUHHUSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000877901887 590443194 /nfs/dbraw/zinc/44/31/94/590443194.db2.gz YXQJTDBVXMSSGR-CQSZACIVSA-N 1 1 245.322 2.162 20 30 BEEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCc2ccccc2C1 ZINC000877901887 590443196 /nfs/dbraw/zinc/44/31/96/590443196.db2.gz YXQJTDBVXMSSGR-CQSZACIVSA-N 1 1 245.322 2.162 20 30 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C=C(Br)C[N@H+](CC)C1CC1 ZINC000052440994 632411013 /nfs/dbraw/zinc/41/10/13/632411013.db2.gz KYTZWGCOHBXYEM-UHFFFAOYSA-N 1 1 204.111 2.379 20 30 BEEDMO CC(C)C[N@H+](CCC#N)Cc1ccnc(N)c1 ZINC000052724298 632468858 /nfs/dbraw/zinc/46/88/58/632468858.db2.gz NTMYMHAQMGQNCT-UHFFFAOYSA-N 1 1 232.331 2.035 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)Cc1ccnc(N)c1 ZINC000052724298 632468864 /nfs/dbraw/zinc/46/88/64/632468864.db2.gz NTMYMHAQMGQNCT-UHFFFAOYSA-N 1 1 232.331 2.035 20 30 BEEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000935214594 632530815 /nfs/dbraw/zinc/53/08/15/632530815.db2.gz SMCGVCLJHOAIOA-YNEHKIRRSA-N 1 1 238.375 2.140 20 30 BEEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccco1 ZINC001024302795 632728015 /nfs/dbraw/zinc/72/80/15/632728015.db2.gz AKWVQJSSYSSERK-LBPRGKRZSA-N 1 1 248.326 2.050 20 30 BEEDMO C=CC[N@@H+](CC(=O)OCC)CC1(C)CCC1 ZINC000309254531 632844910 /nfs/dbraw/zinc/84/49/10/632844910.db2.gz AFKKKJMXLRUFDJ-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO C=CC[N@H+](CC(=O)OCC)CC1(C)CCC1 ZINC000309254531 632844912 /nfs/dbraw/zinc/84/49/12/632844912.db2.gz AFKKKJMXLRUFDJ-UHFFFAOYSA-N 1 1 225.332 2.228 20 30 BEEDMO C#CCCc1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000923881738 632911988 /nfs/dbraw/zinc/91/19/88/632911988.db2.gz AVZIFPOFSDCBSQ-LLVKDONJSA-N 1 1 233.315 2.181 20 30 BEEDMO CC(C)(C)CCNN=C1CC[N@H+]2CCC[C@@H]12 ZINC000782902424 633030534 /nfs/dbraw/zinc/03/05/34/633030534.db2.gz AHFZGOKYAWMJAF-LBPRGKRZSA-N 1 1 223.364 2.236 20 30 BEEDMO C#CCCCNc1cc[nH+]c(NCCCC#C)n1 ZINC000892703137 633155843 /nfs/dbraw/zinc/15/58/43/633155843.db2.gz JKEHADUVTNPWDB-UHFFFAOYSA-N 1 1 242.326 2.127 20 30 BEEDMO C#CCCC[NH2+]Cc1n[nH]c2ccccc21 ZINC000309566524 633201484 /nfs/dbraw/zinc/20/14/84/633201484.db2.gz QSSOGWVHGLMVCF-UHFFFAOYSA-N 1 1 213.284 2.066 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1ccoc1)[C@H]1CCCO1 ZINC000309588113 633207371 /nfs/dbraw/zinc/20/73/71/633207371.db2.gz SUARCZKADMYVMH-KGYLQXTDSA-N 1 1 219.284 2.111 20 30 BEEDMO C=CCOc1cccc(C[NH2+]CCC#N)c1 ZINC000309717228 633231334 /nfs/dbraw/zinc/23/13/34/633231334.db2.gz ZGVMSQKBLPDPAI-UHFFFAOYSA-N 1 1 216.284 2.255 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC000304258401 635938718 /nfs/dbraw/zinc/93/87/18/635938718.db2.gz SPIWDLAWADQMQQ-GFCCVEGCSA-N 1 1 226.364 2.265 20 30 BEEDMO C[C@H](C#N)OCC[N@@H+](C)CCc1cccs1 ZINC000304268835 635939220 /nfs/dbraw/zinc/93/92/20/635939220.db2.gz VHNBLPZSOJCABR-LLVKDONJSA-N 1 1 238.356 2.151 20 30 BEEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000306680560 635973581 /nfs/dbraw/zinc/97/35/81/635973581.db2.gz LHYQZMFNVGFAIL-CYBMUJFWSA-N 1 1 232.327 2.437 20 30 BEEDMO C#CC[N@@H+](C)CCCc1cccc(C)c1 ZINC000192231927 636049794 /nfs/dbraw/zinc/04/97/94/636049794.db2.gz VGEIXNVZOKUFBQ-UHFFFAOYSA-N 1 1 201.313 2.493 20 30 BEEDMO CC(C)(C#N)CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926873490 633757521 /nfs/dbraw/zinc/75/75/21/633757521.db2.gz GFEHKSLFWVIHBI-STQMWFEESA-N 1 1 235.375 2.143 20 30 BEEDMO 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BEEDMO COC[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000930676222 634019800 /nfs/dbraw/zinc/01/98/00/634019800.db2.gz MDRBJRAMMWJFFN-ZIAGYGMSSA-N 1 1 249.358 2.178 20 30 BEEDMO N#CCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000336663481 635198888 /nfs/dbraw/zinc/19/88/88/635198888.db2.gz DACOOXVEQSERBO-HNQUOIGGSA-N 1 1 222.238 2.481 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258918207 635225155 /nfs/dbraw/zinc/22/51/55/635225155.db2.gz NADOKTXLTDXTIM-UHFFFAOYSA-N 1 1 242.322 2.405 20 30 BEEDMO C#CC[N@@H+](Cc1cnc(F)c(C)c1)C1CC1 ZINC000893610732 635240931 /nfs/dbraw/zinc/24/09/31/635240931.db2.gz CNSWVFFOPQQCMH-UHFFFAOYSA-N 1 1 218.275 2.127 20 30 BEEDMO C#CC[N@H+](Cc1cnc(F)c(C)c1)C1CC1 ZINC000893610732 635240936 /nfs/dbraw/zinc/24/09/36/635240936.db2.gz CNSWVFFOPQQCMH-UHFFFAOYSA-N 1 1 218.275 2.127 20 30 BEEDMO C=CCC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000980629534 635247912 /nfs/dbraw/zinc/24/79/12/635247912.db2.gz CUFPZKRKBLKNIP-UHFFFAOYSA-N 1 1 248.326 2.004 20 30 BEEDMO C[C@@H]1CC[C@H](CO)[N@H+]1CC1CCC(C#N)CC1 ZINC000931699005 635249069 /nfs/dbraw/zinc/24/90/69/635249069.db2.gz RHKUZFRMPIEITC-BLYZHGLHSA-N 1 1 236.359 2.162 20 30 BEEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000980726888 635262418 /nfs/dbraw/zinc/26/24/18/635262418.db2.gz CIZLSFHDBUUBKC-CYBMUJFWSA-N 1 1 238.375 2.143 20 30 BEEDMO C=CCC[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000980901021 635295013 /nfs/dbraw/zinc/29/50/13/635295013.db2.gz JFSDDLYKBAQAGF-BQYQJAHWSA-N 1 1 248.370 2.063 20 30 BEEDMO N#Cc1ccc(F)c(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000925810472 635363913 /nfs/dbraw/zinc/36/39/13/635363913.db2.gz AKWWWXRILFNSOQ-STQMWFEESA-N 1 1 247.317 2.057 20 30 BEEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC000981699487 635388061 /nfs/dbraw/zinc/38/80/61/635388061.db2.gz ZCLCVTQGUPVTOS-ACAGNQJTSA-N 1 1 248.370 2.063 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001028479296 635690665 /nfs/dbraw/zinc/69/06/65/635690665.db2.gz HISLWTCYUUMQAI-CYBMUJFWSA-N 1 1 248.370 2.111 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C=C[C@H](C)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925258581 636544491 /nfs/dbraw/zinc/54/44/91/636544491.db2.gz WWHQQLHASNHSLA-UWVGGRQHSA-N 1 1 208.309 2.084 20 30 BEEDMO C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)C[N@@H+]1C ZINC000872405165 636587025 /nfs/dbraw/zinc/58/70/25/636587025.db2.gz HCXXXTWOBOGIPB-ZJUUUORDSA-N 1 1 245.317 2.091 20 30 BEEDMO C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)C[N@H+]1C ZINC000872405165 636587031 /nfs/dbraw/zinc/58/70/31/636587031.db2.gz HCXXXTWOBOGIPB-ZJUUUORDSA-N 1 1 245.317 2.091 20 30 BEEDMO C=CCCCCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897418095 636624182 /nfs/dbraw/zinc/62/41/82/636624182.db2.gz CHGBELVTEJZRHV-LBPRGKRZSA-N 1 1 238.375 2.332 20 30 BEEDMO NC(=[NH+]OCCCCCCO)C1CCCCC1 ZINC000179256231 636770439 /nfs/dbraw/zinc/77/04/39/636770439.db2.gz UUQAVTOOFOUKEN-UHFFFAOYSA-N 1 1 242.363 2.408 20 30 BEEDMO CC(C)CC(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000067711955 636773635 /nfs/dbraw/zinc/77/36/35/636773635.db2.gz MQXTWAKWQVDNQZ-UHFFFAOYSA-N 1 1 231.299 2.393 20 30 BEEDMO C=C(Br)C[N@H+]1CCC[C@H]1COC ZINC000034506463 636936435 /nfs/dbraw/zinc/93/64/35/636936435.db2.gz ZUJPORSBLUZKNQ-VIFPVBQESA-N 1 1 234.137 2.006 20 30 BEEDMO C=C(Br)C[N@@H+]1CCC[C@H]1COC ZINC000034506463 636936441 /nfs/dbraw/zinc/93/64/41/636936441.db2.gz ZUJPORSBLUZKNQ-VIFPVBQESA-N 1 1 234.137 2.006 20 30 BEEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCCCC#N ZINC000923892234 637007856 /nfs/dbraw/zinc/00/78/56/637007856.db2.gz OFXXWWCZJLADMG-LBPRGKRZSA-N 1 1 238.331 2.096 20 30 BEEDMO C#Cc1ccc(NCc2c[nH+]c3n2CCC3)cc1 ZINC000898499925 637044431 /nfs/dbraw/zinc/04/44/31/637044431.db2.gz VKHVQTRLYBCQGW-UHFFFAOYSA-N 1 1 237.306 2.423 20 30 BEEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC000899990576 637163145 /nfs/dbraw/zinc/16/31/45/637163145.db2.gz RUEWQNGPVZIXFB-LLVKDONJSA-N 1 1 244.298 2.488 20 30 BEEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cocn2)no1 ZINC000904689934 637453284 /nfs/dbraw/zinc/45/32/84/637453284.db2.gz MXBHLZZAXZXDNI-MRVPVSSYSA-N 1 1 234.259 2.081 20 30 BEEDMO C=CCCC[C@H]([NH3+])c1nc(C2(C)CC2)no1 ZINC000904731092 637461933 /nfs/dbraw/zinc/46/19/33/637461933.db2.gz CWXDEZZJYLMWNZ-VIFPVBQESA-N 1 1 221.304 2.477 20 30 BEEDMO C[N@H+]1CC[C@H]1C/N=C\c1cc(Cl)ccc1O ZINC000905002479 637539307 /nfs/dbraw/zinc/53/93/07/637539307.db2.gz IPWZRZGBWSIYRH-ODYDIQAQSA-N 1 1 238.718 2.169 20 30 BEEDMO N#CC1(Cc2nc(C3([NH3+])CC3)no2)CCCCC1 ZINC000905327380 637759798 /nfs/dbraw/zinc/75/97/98/637759798.db2.gz NRRFEARRKXVAOF-UHFFFAOYSA-N 1 1 246.314 2.034 20 30 BEEDMO C=CC[C@H]([NH2+]C[C@@]1(C)CC1(C)C)C(=O)OC ZINC000905776769 637906386 /nfs/dbraw/zinc/90/63/86/637906386.db2.gz KKWHEKMIPOEXFW-GXFFZTMASA-N 1 1 225.332 2.130 20 30 BEEDMO C=CC[C@H]([NH2+][C@H]1CCCC12CC2)C(=O)OC ZINC000905775444 637906967 /nfs/dbraw/zinc/90/69/67/637906967.db2.gz ADWKEDWKNMDZLU-QWRGUYRKSA-N 1 1 223.316 2.026 20 30 BEEDMO C=CC[C@@H]([NH2+]CCC[C@H]1C=CCC1)C(=O)OC ZINC000905776836 637907093 /nfs/dbraw/zinc/90/70/93/637907093.db2.gz HTUBDNKJUBETNV-QWHCGFSZSA-N 1 1 237.343 2.440 20 30 BEEDMO 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C[C@H](C#N)OCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000801924065 644844282 /nfs/dbraw/zinc/84/42/82/644844282.db2.gz QHLXFXJUKCEBLP-CHWSQXEVSA-N 1 1 244.338 2.362 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1Cc2ccccc2[C@@H]1C ZINC000801923738 644845020 /nfs/dbraw/zinc/84/50/20/644845020.db2.gz CJYHOINGSJUGTH-RYUDHWBXSA-N 1 1 230.311 2.492 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000801924067 644846045 /nfs/dbraw/zinc/84/60/45/644846045.db2.gz QHLXFXJUKCEBLP-QWHCGFSZSA-N 1 1 244.338 2.362 20 30 BEEDMO CC[C@@]1(C)CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801926311 644846878 /nfs/dbraw/zinc/84/68/78/644846878.db2.gz VSKHNRHWFSFERO-STQMWFEESA-N 1 1 224.348 2.427 20 30 BEEDMO CC(C)=CCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000808262650 644876685 /nfs/dbraw/zinc/87/66/85/644876685.db2.gz RKKPAJCVLIMNHQ-UHFFFAOYSA-N 1 1 246.310 2.225 20 30 BEEDMO CC(C)CC[N@@H+](CCO[C@H](C)C#N)C1CC1 ZINC000304239372 644880150 /nfs/dbraw/zinc/88/01/50/644880150.db2.gz NJDQGJNLVMHFDC-GFCCVEGCSA-N 1 1 224.348 2.426 20 30 BEEDMO 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N#CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000825720692 645064302 /nfs/dbraw/zinc/06/43/02/645064302.db2.gz IZVIVDZIOYWMDW-UHFFFAOYSA-N 1 1 225.295 2.245 20 30 BEEDMO C#CC1CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000826714987 645067091 /nfs/dbraw/zinc/06/70/91/645067091.db2.gz LWFRBTBESZJKRR-UHFFFAOYSA-N 1 1 229.327 2.197 20 30 BEEDMO C#CC1CC[NH+](Cc2nc(CCCC)no2)CC1 ZINC000830300912 645118071 /nfs/dbraw/zinc/11/80/71/645118071.db2.gz CYWLCVXWNNGNNK-UHFFFAOYSA-N 1 1 247.342 2.257 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442936 645333409 /nfs/dbraw/zinc/33/34/09/645333409.db2.gz HNNLNUJJVKWPKZ-GHMZBOCLSA-N 1 1 244.285 2.036 20 30 BEEDMO C=CCCSCC[NH2+][C@H](C)c1nonc1C ZINC000926686677 645355270 /nfs/dbraw/zinc/35/52/70/645355270.db2.gz XWFOKAVWFQQXFV-SECBINFHSA-N 1 1 241.360 2.338 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2nonc2c1 ZINC000846980195 645410506 /nfs/dbraw/zinc/41/05/06/645410506.db2.gz FGQFTMWIQWDGFD-SNVBAGLBSA-N 1 1 230.271 2.005 20 30 BEEDMO 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N#CC1(CCCC[N@@H+]2CCC[C@H]2CO)CCC1 ZINC000929521958 646171158 /nfs/dbraw/zinc/17/11/58/646171158.db2.gz QDVIGKYIJLLQBQ-ZDUSSCGKSA-N 1 1 236.359 2.307 20 30 BEEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000929602127 646194099 /nfs/dbraw/zinc/19/40/99/646194099.db2.gz UDOFJZAKXVADDT-CQSZACIVSA-N 1 1 244.338 2.396 20 30 BEEDMO CN(C)C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929637006 646215008 /nfs/dbraw/zinc/21/50/08/646215008.db2.gz AGPFFBAIBWTWMQ-NRXISQOPSA-N 1 1 249.402 2.200 20 30 BEEDMO CN(C)C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929637006 646215015 /nfs/dbraw/zinc/21/50/15/646215015.db2.gz AGPFFBAIBWTWMQ-NRXISQOPSA-N 1 1 249.402 2.200 20 30 BEEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000929649175 646220267 /nfs/dbraw/zinc/22/02/67/646220267.db2.gz WIOIHACEXSZAML-KGLIPLIRSA-N 1 1 234.343 2.083 20 30 BEEDMO COC/C(C)=C/C[N@@H+](CCC#N)CC(C)C ZINC000929688482 646242633 /nfs/dbraw/zinc/24/26/33/646242633.db2.gz PRJDUACXPPZAHP-AWNIVKPZSA-N 1 1 224.348 2.451 20 30 BEEDMO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)CC#N ZINC000929689929 646246930 /nfs/dbraw/zinc/24/69/30/646246930.db2.gz JGMJVNLGLYFFFE-GXFFZTMASA-N 1 1 248.301 2.019 20 30 BEEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)CC#N ZINC000929689929 646246934 /nfs/dbraw/zinc/24/69/34/646246934.db2.gz JGMJVNLGLYFFFE-GXFFZTMASA-N 1 1 248.301 2.019 20 30 BEEDMO C#CC[NH+](CC#C)C[C@H]1CCCC2(CCC2)O1 ZINC000929756839 646288034 /nfs/dbraw/zinc/28/80/34/646288034.db2.gz BNYBURCLQSWEOF-CQSZACIVSA-N 1 1 231.339 2.047 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1CCCC2(CCC2)O1 ZINC000929787610 646317760 /nfs/dbraw/zinc/31/77/60/646317760.db2.gz LQQPYTOUHMPCTD-CYBMUJFWSA-N 1 1 221.344 2.433 20 30 BEEDMO C[N@@H+](C[C@H](O)C1CC1)CC1CCC(C#N)CC1 ZINC000929805045 646327128 /nfs/dbraw/zinc/32/71/28/646327128.db2.gz AMKCBPDCDVHVGG-YIZWMMSDSA-N 1 1 236.359 2.019 20 30 BEEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000929831432 646346436 /nfs/dbraw/zinc/34/64/36/646346436.db2.gz FCSGTHJSVUOYDX-QWHCGFSZSA-N 1 1 224.348 2.019 20 30 BEEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000929851721 646353225 /nfs/dbraw/zinc/35/32/25/646353225.db2.gz AHALZWIYKXYJTN-YNEHKIRRSA-N 1 1 224.348 2.162 20 30 BEEDMO C[C@@H]1[C@H](C)OCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929848665 646358341 /nfs/dbraw/zinc/35/83/41/646358341.db2.gz SYPGJXGUJFVMCY-KBHBFKLGSA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000929906443 646370050 /nfs/dbraw/zinc/37/00/50/646370050.db2.gz TZTPFWLSGOPYSF-IUODEOHRSA-N 1 1 244.338 2.487 20 30 BEEDMO N#CC1CCC(C[NH2+][C@H]2C[C@@H](N)C23CCC3)CC1 ZINC000925652811 646392222 /nfs/dbraw/zinc/39/22/22/646392222.db2.gz AQPRKKOUPSBNPN-PQAZSJQKSA-N 1 1 247.386 2.176 20 30 BEEDMO COC/C(C)=C/C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000930087726 646419544 /nfs/dbraw/zinc/41/95/44/646419544.db2.gz WWDAUDYKMRASOM-BCMYLCSRSA-N 1 1 222.332 2.203 20 30 BEEDMO COC/C(C)=C/C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000930087726 646419550 /nfs/dbraw/zinc/41/95/50/646419550.db2.gz WWDAUDYKMRASOM-BCMYLCSRSA-N 1 1 222.332 2.203 20 30 BEEDMO CC1(C)[C@H](N[C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704692 646429173 /nfs/dbraw/zinc/42/91/73/646429173.db2.gz JEAJLHOXRPZDLH-MQLXINIDSA-N 1 1 247.386 2.045 20 30 BEEDMO C[C@H]1C[C@@H](O)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930126344 646449245 /nfs/dbraw/zinc/44/92/45/646449245.db2.gz RRNXDROKUOPQAQ-QWHCGFSZSA-N 1 1 236.359 2.306 20 30 BEEDMO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(C#N)c(F)c1 ZINC000925742850 646464120 /nfs/dbraw/zinc/46/41/20/646464120.db2.gz XTLPISYVHGGMII-SNVBAGLBSA-N 1 1 249.333 2.475 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1O ZINC000930160259 646465142 /nfs/dbraw/zinc/46/51/42/646465142.db2.gz MYWFBZADSMZUOF-CHWSQXEVSA-N 1 1 236.359 2.163 20 30 BEEDMO C=C[C@H](CC)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000930183120 646472091 /nfs/dbraw/zinc/47/20/91/646472091.db2.gz ZQVCRUPJSZVXEF-CYBMUJFWSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CC[N@@H+](CCc1ccns1)C1CC1 ZINC000930175558 646476709 /nfs/dbraw/zinc/47/67/09/646476709.db2.gz MQCKTXVQBIHPIV-UHFFFAOYSA-N 1 1 208.330 2.336 20 30 BEEDMO C[C@H]1[C@H](C)[N@@H+](CC2CCC(C#N)CC2)CCN1C ZINC000930178193 646479226 /nfs/dbraw/zinc/47/92/26/646479226.db2.gz UYHXPCYZRPFZIM-HESLUPGFSA-N 1 1 249.402 2.341 20 30 BEEDMO C=CCOCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926115755 646576595 /nfs/dbraw/zinc/57/65/95/646576595.db2.gz NZZSNEPZUHWJNP-LLVKDONJSA-N 1 1 236.315 2.153 20 30 BEEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000926449363 646641688 /nfs/dbraw/zinc/64/16/88/646641688.db2.gz FSEPTMPCYJNZOV-WDEREUQCSA-N 1 1 246.358 2.185 20 30 BEEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000926449362 646642560 /nfs/dbraw/zinc/64/25/60/646642560.db2.gz FSEPTMPCYJNZOV-QWRGUYRKSA-N 1 1 246.358 2.185 20 30 BEEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000926505902 646666195 /nfs/dbraw/zinc/66/61/95/646666195.db2.gz LDKOPKBXHXFLCV-SECBINFHSA-N 1 1 247.346 2.100 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CCCC(C)(C)C1 ZINC000308836179 711591524 /nfs/dbraw/zinc/59/15/24/711591524.db2.gz WMSIHOPWEPMQTA-LLVKDONJSA-N 1 1 210.321 2.037 20 30 BEEDMO Cc1conc1C[NH+]1CCC(CC#N)CC1 ZINC000260012402 711750039 /nfs/dbraw/zinc/75/00/39/711750039.db2.gz MIHXPEGEADDKGO-UHFFFAOYSA-N 1 1 219.288 2.109 20 30 BEEDMO C#CC[N@H+](Cc1cncc(OC)c1C)C(C)C ZINC000897170536 711784701 /nfs/dbraw/zinc/78/47/01/711784701.db2.gz APJPRCMFEPJIIN-UHFFFAOYSA-N 1 1 232.327 2.242 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CC1(C)C ZINC000602713805 711836441 /nfs/dbraw/zinc/83/64/41/711836441.db2.gz CYMNOYWCMJFRGX-NSHDSACASA-N 1 1 229.327 2.431 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000702293662 712043128 /nfs/dbraw/zinc/04/31/28/712043128.db2.gz KBCRWDUHGYGFJI-MJBXVCDLSA-N 1 1 234.387 2.251 20 30 BEEDMO C#C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000702293662 712043130 /nfs/dbraw/zinc/04/31/30/712043130.db2.gz KBCRWDUHGYGFJI-MJBXVCDLSA-N 1 1 234.387 2.251 20 30 BEEDMO C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)C(C)(C)C ZINC000705315295 712128347 /nfs/dbraw/zinc/12/83/47/712128347.db2.gz FXXSTPGGIHECTL-GSPSYOTPSA-N 1 1 234.387 2.249 20 30 BEEDMO C#C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000705315295 712128349 /nfs/dbraw/zinc/12/83/49/712128349.db2.gz FXXSTPGGIHECTL-GSPSYOTPSA-N 1 1 234.387 2.249 20 30 BEEDMO C#C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000705315295 712128351 /nfs/dbraw/zinc/12/83/51/712128351.db2.gz FXXSTPGGIHECTL-GSPSYOTPSA-N 1 1 234.387 2.249 20 30 BEEDMO C=C(Cl)C[N@H+](C)CC(O)(CC)CC ZINC000706418060 712146074 /nfs/dbraw/zinc/14/60/74/712146074.db2.gz ATVVDKWCYVIUHF-UHFFFAOYSA-N 1 1 205.729 2.222 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000379482665 712385698 /nfs/dbraw/zinc/38/56/98/712385698.db2.gz CNSBBKSJDRNTKP-SECBINFHSA-N 1 1 205.223 2.284 20 30 BEEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715414217 712518023 /nfs/dbraw/zinc/51/80/23/712518023.db2.gz LUHKRBPYPOSQGD-RAIGVLPGSA-N 1 1 222.332 2.178 20 30 BEEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000715414217 712518025 /nfs/dbraw/zinc/51/80/25/712518025.db2.gz LUHKRBPYPOSQGD-RAIGVLPGSA-N 1 1 222.332 2.178 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](C)CC1 ZINC000379814477 712607695 /nfs/dbraw/zinc/60/76/95/712607695.db2.gz BMHBXXSBZCTASI-NWDGAFQWSA-N 1 1 210.321 2.037 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000379818422 712611827 /nfs/dbraw/zinc/61/18/27/712611827.db2.gz ROEQBUNAQLXPPQ-QWRGUYRKSA-N 1 1 212.337 2.281 20 30 BEEDMO CC(C)[C@@H]1CCC[N@H+]1CCO[C@H](C)C#N ZINC000380015223 712669944 /nfs/dbraw/zinc/66/99/44/712669944.db2.gz MYLLJBYENOJSFU-NEPJUHHUSA-N 1 1 210.321 2.035 20 30 BEEDMO CCOC1CC(C[N@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154045 712715565 /nfs/dbraw/zinc/71/55/65/712715565.db2.gz DJMUCHINBQNZDG-PNESKVBLSA-N 1 1 222.332 2.037 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037681461 712738075 /nfs/dbraw/zinc/73/80/75/712738075.db2.gz JXOMTFCXMIBBFM-UHFFFAOYSA-N 1 1 226.663 2.437 20 30 BEEDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000718920384 712787863 /nfs/dbraw/zinc/78/78/63/712787863.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 1 1 235.375 2.095 20 30 BEEDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(C)(C)C#N ZINC000718920384 712787864 /nfs/dbraw/zinc/78/78/64/712787864.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 1 1 235.375 2.095 20 30 BEEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(C)(C)C#N ZINC000718920384 712787866 /nfs/dbraw/zinc/78/78/66/712787866.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 1 1 235.375 2.095 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038014041 712898350 /nfs/dbraw/zinc/89/83/50/712898350.db2.gz OFSXNKBKMWZZEC-AWEZNQCLSA-N 1 1 244.338 2.067 20 30 BEEDMO C[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)COC2 ZINC000381401007 710633343 /nfs/dbraw/zinc/63/33/43/710633343.db2.gz QBCNNOCBZDSINQ-JTQLQIEISA-N 1 1 216.284 2.109 20 30 BEEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721616733 710683817 /nfs/dbraw/zinc/68/38/17/710683817.db2.gz ZNSAWNLJKTXUGE-WDEREUQCSA-N 1 1 215.300 2.184 20 30 BEEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721616731 710683986 /nfs/dbraw/zinc/68/39/86/710683986.db2.gz ZNSAWNLJKTXUGE-QWRGUYRKSA-N 1 1 215.300 2.184 20 30 BEEDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000721845415 710687323 /nfs/dbraw/zinc/68/73/23/710687323.db2.gz HFKUJFAIMPBGPS-CQSZACIVSA-N 1 1 244.338 2.151 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039018949 710717304 /nfs/dbraw/zinc/71/73/04/710717304.db2.gz MNCLQOHRTQJOEC-AWEZNQCLSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001039018949 710717307 /nfs/dbraw/zinc/71/73/07/710717307.db2.gz MNCLQOHRTQJOEC-AWEZNQCLSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001041182211 710764157 /nfs/dbraw/zinc/76/41/57/710764157.db2.gz AGZGVJHPTMSNNT-XNISGLLXSA-N 1 1 248.370 2.063 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001042002697 710774126 /nfs/dbraw/zinc/77/41/26/710774126.db2.gz KSLWDPZOAIJGLC-SNBRUFEUSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2)C1 ZINC001046112899 710849779 /nfs/dbraw/zinc/84/97/79/710849779.db2.gz XUNDDSSZZAHHTQ-HNNXBMFYSA-N 1 1 244.338 2.067 20 30 BEEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC=CC2)C1 ZINC001046207498 710855104 /nfs/dbraw/zinc/85/51/04/710855104.db2.gz NHLNFPOWLVPRGT-OAHLLOKOSA-N 1 1 248.370 2.109 20 30 BEEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001071349749 710868619 /nfs/dbraw/zinc/86/86/19/710868619.db2.gz LJNNNTLGYGIWCM-STQMWFEESA-N 1 1 238.375 2.188 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049270782 710898828 /nfs/dbraw/zinc/89/88/28/710898828.db2.gz FBQAANADRKOGMC-KBPBESRZSA-N 1 1 248.370 2.038 20 30 BEEDMO C=C(C)C[N@H+](CC)C/C=C\C(=O)OCC ZINC000382523309 710945735 /nfs/dbraw/zinc/94/57/35/710945735.db2.gz CIFDQRALRIFWDJ-FPLPWBNLSA-N 1 1 211.305 2.004 20 30 BEEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001049963130 710905545 /nfs/dbraw/zinc/90/55/45/710905545.db2.gz XGNYWGVHYMRZTN-UONOGXRCSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001052296755 710964215 /nfs/dbraw/zinc/96/42/15/710964215.db2.gz JNZZZRZFNKQGLP-AWEZNQCLSA-N 1 1 248.370 2.253 20 30 BEEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C)cs1 ZINC000384157958 710990849 /nfs/dbraw/zinc/99/08/49/710990849.db2.gz IVHMZNMLFIQOLR-LLVKDONJSA-N 1 1 208.330 2.343 20 30 BEEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)C(C)C ZINC000389400863 711078535 /nfs/dbraw/zinc/07/85/35/711078535.db2.gz HHBNKRAWARAPHX-GFCCVEGCSA-N 1 1 212.337 2.281 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)C1CCCCC1 ZINC000389415082 711078869 /nfs/dbraw/zinc/07/88/69/711078869.db2.gz TZZRAUCZOMZAPN-NSHDSACASA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccsc1 ZINC000389415725 711078878 /nfs/dbraw/zinc/07/88/78/711078878.db2.gz UPTMMCFCMLMHJX-JTQLQIEISA-N 1 1 224.329 2.109 20 30 BEEDMO C#CC[N@@H+](C)CCCNc1ccc(C#N)cc1C ZINC000393380230 711157723 /nfs/dbraw/zinc/15/77/23/711157723.db2.gz BFIJIEZYLVGKOS-UHFFFAOYSA-N 1 1 241.338 2.234 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071415604 711191044 /nfs/dbraw/zinc/19/10/44/711191044.db2.gz BYVGPLIILJVPQP-JSGCOSHPSA-N 1 1 248.370 2.252 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC=CC2)CC[C@@H]1C ZINC001071401678 711191499 /nfs/dbraw/zinc/19/14/99/711191499.db2.gz OQMTWVMYUQIEAQ-JSGCOSHPSA-N 1 1 248.370 2.108 20 30 BEEDMO CCCCCCC[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC000398196806 711404258 /nfs/dbraw/zinc/40/42/58/711404258.db2.gz UMVSYHLVPSHSSN-NSHDSACASA-N 1 1 239.367 2.049 20 30 BEEDMO C[C@H](C#N)OCCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000381312510 710619577 /nfs/dbraw/zinc/61/95/77/710619577.db2.gz PNEQTVAWBRRSKE-GRYCIOLGSA-N 1 1 247.342 2.183 20 30 BEEDMO N#C[C@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000721329016 710674653 /nfs/dbraw/zinc/67/46/53/710674653.db2.gz FGMRZNWOPFCQHR-HIFRSBDPSA-N 1 1 244.338 2.346 20 30 BEEDMO N#C[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000721329016 710674654 /nfs/dbraw/zinc/67/46/54/710674654.db2.gz FGMRZNWOPFCQHR-HIFRSBDPSA-N 1 1 244.338 2.346 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038662598 710699205 /nfs/dbraw/zinc/69/92/05/710699205.db2.gz SKWJQDYFALXDQR-AWEZNQCLSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001038662598 710699208 /nfs/dbraw/zinc/69/92/08/710699208.db2.gz SKWJQDYFALXDQR-AWEZNQCLSA-N 1 1 248.370 2.109 20 30 BEEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071313417 711188714 /nfs/dbraw/zinc/18/87/14/711188714.db2.gz ZIEKLONBUNTURF-RYUDHWBXSA-N 1 1 248.326 2.048 20 30 BEEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001072601263 711382762 /nfs/dbraw/zinc/38/27/62/711382762.db2.gz NFRCWSDJBUCTSR-ACAGNQJTSA-N 1 1 248.370 2.063 20 30 BEEDMO N#C[C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000383204809 711466681 /nfs/dbraw/zinc/46/66/81/711466681.db2.gz OPWOLIBEIMQMMR-SECBINFHSA-N 1 1 214.259 2.267 20 30 BEEDMO 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345855150 /nfs/dbraw/zinc/85/51/50/345855150.db2.gz OLCSRCXNNPBARW-LLVKDONJSA-N 1 1 235.331 2.087 20 30 BEEDMO CC(C)N(C)c1ccc(C[NH2+]C[C@H](C)C#N)cn1 ZINC000191479351 346031195 /nfs/dbraw/zinc/03/11/95/346031195.db2.gz JPTGXUZEGWBMCN-GFCCVEGCSA-N 1 1 246.358 2.175 20 30 BEEDMO CC[N@H+](Cc1nc(C#N)cs1)CC(C)C ZINC000356061823 346126922 /nfs/dbraw/zinc/12/69/22/346126922.db2.gz SVKOCLNUABNIOH-UHFFFAOYSA-N 1 1 223.345 2.493 20 30 BEEDMO C=C1CC(C)(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000632367208 346230721 /nfs/dbraw/zinc/23/07/21/346230721.db2.gz JAMGMSLESILQNC-GFCCVEGCSA-N 1 1 248.370 2.109 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C)c[nH]1 ZINC000628253911 346235156 /nfs/dbraw/zinc/23/51/56/346235156.db2.gz DDRCIMYSEGKGQB-LLVKDONJSA-N 1 1 205.305 2.259 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C)c[nH]1 ZINC000628253911 346235158 /nfs/dbraw/zinc/23/51/58/346235158.db2.gz DDRCIMYSEGKGQB-LLVKDONJSA-N 1 1 205.305 2.259 20 30 BEEDMO C=CC[N@H+](CCOC)C[C@]1(C)CCCS1 ZINC000628251804 346222802 /nfs/dbraw/zinc/22/28/02/346222802.db2.gz WOXVPRXVKJNQGE-LBPRGKRZSA-N 1 1 229.389 2.407 20 30 BEEDMO C=CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636139051 346331475 /nfs/dbraw/zinc/33/14/75/346331475.db2.gz KUSPJBBXFSKRMS-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 BEEDMO CC[N@H+]1CCCN(Cc2ccc(C#N)s2)CC1 ZINC000155380081 346347400 /nfs/dbraw/zinc/34/74/00/346347400.db2.gz CHZKKUXJAVTJOZ-UHFFFAOYSA-N 1 1 249.383 2.147 20 30 BEEDMO C=CCCC(C)(C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636230765 346362636 /nfs/dbraw/zinc/36/26/36/346362636.db2.gz NJONMJKATXWDKM-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C=CCCC(C)(C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636230766 346362740 /nfs/dbraw/zinc/36/27/40/346362740.db2.gz NJONMJKATXWDKM-LBPRGKRZSA-N 1 1 238.375 2.189 20 30 BEEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCCC#N)C2 ZINC000375761558 346561710 /nfs/dbraw/zinc/56/17/10/346561710.db2.gz HYDCFXWCOMIRIH-PBWFPOADSA-N 1 1 235.375 2.237 20 30 BEEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCCC#N)C2 ZINC000375761558 346561715 /nfs/dbraw/zinc/56/17/15/346561715.db2.gz HYDCFXWCOMIRIH-PBWFPOADSA-N 1 1 235.375 2.237 20 30 BEEDMO C=CCCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CN ZINC000641807569 362766767 /nfs/dbraw/zinc/76/67/67/362766767.db2.gz LAAJJZPHBSUARW-AVGNSLFASA-N 1 1 210.365 2.400 20 30 BEEDMO CC(C)[N@@H+](CCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000361414505 535051837 /nfs/dbraw/zinc/05/18/37/535051837.db2.gz KJLFKSJFSGFLEN-GFCCVEGCSA-N 1 1 224.348 2.426 20 30 BEEDMO COC[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000178030636 346655729 /nfs/dbraw/zinc/65/57/29/346655729.db2.gz CIWGTQZKDDDQKT-GFCCVEGCSA-N 1 1 232.327 2.273 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563619877 323131872 /nfs/dbraw/zinc/13/18/72/323131872.db2.gz CLAGRNXOYLPDKQ-RYUDHWBXSA-N 1 1 222.332 2.322 20 30 BEEDMO C[N@@H+](C[C@@H](O)C1CC1)CC(C)(C)CCC#N ZINC000589196991 346675154 /nfs/dbraw/zinc/67/51/54/346675154.db2.gz RSIDFTBAGVHCDX-GFCCVEGCSA-N 1 1 224.348 2.019 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000049967745 346716147 /nfs/dbraw/zinc/71/61/47/346716147.db2.gz GDXXZHDEVOYYNJ-UHFFFAOYSA-N 1 1 233.311 2.466 20 30 BEEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000590171192 346790478 /nfs/dbraw/zinc/79/04/78/346790478.db2.gz FSGPFNAEYTXETE-MXWKQRLJSA-N 1 1 244.285 2.382 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cccc2nccn21 ZINC000184092500 347149302 /nfs/dbraw/zinc/14/93/02/347149302.db2.gz UMNNUYZNFCKCTA-LLVKDONJSA-N 1 1 228.299 2.116 20 30 BEEDMO COCC1(C[N@@H+](CCC#N)C(C)C)CCC1 ZINC000309765785 347158505 /nfs/dbraw/zinc/15/85/05/347158505.db2.gz NOTCSIIKMDQZLW-UHFFFAOYSA-N 1 1 224.348 2.427 20 30 BEEDMO C=CCCC[NH2+][C@](C)(CCC)C(=O)OC ZINC000117882161 347205697 /nfs/dbraw/zinc/20/56/97/347205697.db2.gz MKHWSYQCZCIVGT-GFCCVEGCSA-N 1 1 213.321 2.274 20 30 BEEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363920472 347183894 /nfs/dbraw/zinc/18/38/94/347183894.db2.gz JYIFBASLLCMYMJ-CYBMUJFWSA-N 1 1 219.332 2.442 20 30 BEEDMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)n[nH]1 ZINC000193029431 347388849 /nfs/dbraw/zinc/38/88/49/347388849.db2.gz WGAJRCKXKADZPH-KGYLQXTDSA-N 1 1 246.358 2.321 20 30 BEEDMO C=CCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269658096 166259761 /nfs/dbraw/zinc/25/97/61/166259761.db2.gz PIOCAJQCLBROES-UHFFFAOYSA-N 1 1 247.264 2.447 20 30 BEEDMO C=CCC1([NH2+]CC(=O)OCC)CCCCC1 ZINC000590660995 347487463 /nfs/dbraw/zinc/48/74/63/347487463.db2.gz XKJYGCBIUXDFFP-UHFFFAOYSA-N 1 1 225.332 2.418 20 30 BEEDMO CCc1cc(N2CC[C@](F)(C#N)C2)cc[nH+]1 ZINC000590698780 347492722 /nfs/dbraw/zinc/49/27/22/347492722.db2.gz OHHIMDNDKXUEII-LBPRGKRZSA-N 1 1 219.263 2.086 20 30 BEEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000590593141 347477838 /nfs/dbraw/zinc/47/78/38/347477838.db2.gz KZMNIJPVYYKVRN-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCC#N)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000590593141 347477840 /nfs/dbraw/zinc/47/78/40/347477840.db2.gz KZMNIJPVYYKVRN-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000590755792 347506110 /nfs/dbraw/zinc/50/61/10/347506110.db2.gz IUWHSHWHKDUVGG-CYBMUJFWSA-N 1 1 218.275 2.411 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000590755792 347506112 /nfs/dbraw/zinc/50/61/12/347506112.db2.gz IUWHSHWHKDUVGG-CYBMUJFWSA-N 1 1 218.275 2.411 20 30 BEEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000292988173 347517141 /nfs/dbraw/zinc/51/71/41/347517141.db2.gz BWWJNWIFSUUNSE-ZDUSSCGKSA-N 1 1 244.338 2.153 20 30 BEEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000119971176 347538929 /nfs/dbraw/zinc/53/89/29/347538929.db2.gz QQPIUJMDFATEPY-ZDUSSCGKSA-N 1 1 222.332 2.039 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000591026224 347611193 /nfs/dbraw/zinc/61/11/93/347611193.db2.gz SIISJFDAZDRPHI-ZJUUUORDSA-N 1 1 232.274 2.382 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000591026222 347611416 /nfs/dbraw/zinc/61/14/16/347611416.db2.gz SIISJFDAZDRPHI-UWVGGRQHSA-N 1 1 232.274 2.382 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000591063072 347612579 /nfs/dbraw/zinc/61/25/79/347612579.db2.gz ILHNOQJFRPNSCB-LBPRGKRZSA-N 1 1 204.317 2.412 20 30 BEEDMO CCCc1[nH+]ccn1Cc1ccncc1C#N ZINC000592347639 347769774 /nfs/dbraw/zinc/76/97/74/347769774.db2.gz NHXAWBDAWJMKHQ-UHFFFAOYSA-N 1 1 226.283 2.151 20 30 BEEDMO CO[C@@H](CC(C)C)C[N@H+](C)C[C@H](C)C#N ZINC000419183075 192108442 /nfs/dbraw/zinc/10/84/42/192108442.db2.gz DCCVROXPIOXOQP-NEPJUHHUSA-N 1 1 212.337 2.139 20 30 BEEDMO CO[C@@H](CC(C)C)C[N@@H+](C)C[C@H](C)C#N ZINC000419183075 192108444 /nfs/dbraw/zinc/10/84/44/192108444.db2.gz DCCVROXPIOXOQP-NEPJUHHUSA-N 1 1 212.337 2.139 20 30 BEEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccncc1C#N ZINC000592071112 347727615 /nfs/dbraw/zinc/72/76/15/347727615.db2.gz ZWRALUDYPSIQET-LLVKDONJSA-N 1 1 217.316 2.431 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592071836 347728087 /nfs/dbraw/zinc/72/80/87/347728087.db2.gz SFUFSYLHYWBDND-MNOVXSKESA-N 1 1 215.300 2.184 20 30 BEEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccncc2C#N)C1 ZINC000592072490 347728229 /nfs/dbraw/zinc/72/82/29/347728229.db2.gz NDOARRFFXMFTGB-MNOVXSKESA-N 1 1 215.300 2.184 20 30 BEEDMO CSC[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592075585 347728944 /nfs/dbraw/zinc/72/89/44/347728944.db2.gz MTFZDCBDFKLKPY-CYBMUJFWSA-N 1 1 247.367 2.281 20 30 BEEDMO CSC[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592075585 347728947 /nfs/dbraw/zinc/72/89/47/347728947.db2.gz MTFZDCBDFKLKPY-CYBMUJFWSA-N 1 1 247.367 2.281 20 30 BEEDMO CCc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150923 347741761 /nfs/dbraw/zinc/74/17/61/347741761.db2.gz JVHLENRTWWXLAS-HNNXBMFYSA-N 1 1 244.338 2.099 20 30 BEEDMO CCCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@@H+](C)C1 ZINC000592519949 347794398 /nfs/dbraw/zinc/79/43/98/347794398.db2.gz BLEKEUFVUBDZRA-GFCCVEGCSA-N 1 1 247.342 2.067 20 30 BEEDMO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(C)C1 ZINC000592519949 347794400 /nfs/dbraw/zinc/79/44/00/347794400.db2.gz BLEKEUFVUBDZRA-GFCCVEGCSA-N 1 1 247.342 2.067 20 30 BEEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(C)C1 ZINC000592519949 347794402 /nfs/dbraw/zinc/79/44/02/347794402.db2.gz BLEKEUFVUBDZRA-GFCCVEGCSA-N 1 1 247.342 2.067 20 30 BEEDMO CC[C@@H](CO)[N@@H+](C)CCCC(C)(C)C#N ZINC000345843411 365925774 /nfs/dbraw/zinc/92/57/74/365925774.db2.gz UZZLOFFTHBQLLQ-NSHDSACASA-N 1 1 212.337 2.019 20 30 BEEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)CCO ZINC000593107769 347859935 /nfs/dbraw/zinc/85/99/35/347859935.db2.gz IMCSLCSPIKWJHS-LBPRGKRZSA-N 1 1 232.327 2.069 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118441 347862761 /nfs/dbraw/zinc/86/27/61/347862761.db2.gz REAKSXDCEHMUSN-ZJUUUORDSA-N 1 1 214.259 2.410 20 30 BEEDMO N#Cc1cnccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115233 347862044 /nfs/dbraw/zinc/86/20/44/347862044.db2.gz AXTQBHACLAJGNB-GFCCVEGCSA-N 1 1 249.264 2.184 20 30 BEEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115233 347862048 /nfs/dbraw/zinc/86/20/48/347862048.db2.gz AXTQBHACLAJGNB-GFCCVEGCSA-N 1 1 249.264 2.184 20 30 BEEDMO CC(C)C[N@H+](C)CCCN[C@H]1CC[C@H](C#N)C1 ZINC000593646922 347926090 /nfs/dbraw/zinc/92/60/90/347926090.db2.gz UDBRZFQRUDHQLO-KBPBESRZSA-N 1 1 237.391 2.246 20 30 BEEDMO CC(C)C[N@@H+](C)CCCN[C@H]1CC[C@H](C#N)C1 ZINC000593646922 347926092 /nfs/dbraw/zinc/92/60/92/347926092.db2.gz UDBRZFQRUDHQLO-KBPBESRZSA-N 1 1 237.391 2.246 20 30 BEEDMO CCCn1cc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000593652739 347921475 /nfs/dbraw/zinc/92/14/75/347921475.db2.gz JAIPLJIYNSXBHD-UHFFFAOYSA-N 1 1 246.358 2.467 20 30 BEEDMO CO[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594028710 347992272 /nfs/dbraw/zinc/99/22/72/347992272.db2.gz WDNZVUHSMFZBKS-HNNXBMFYSA-N 1 1 242.322 2.299 20 30 BEEDMO N#CC1(C[NH2+]Cc2ccc(N)nc2)CCCCC1 ZINC000594739329 348110598 /nfs/dbraw/zinc/11/05/98/348110598.db2.gz NJBAJJXITNUXFE-UHFFFAOYSA-N 1 1 244.342 2.058 20 30 BEEDMO N#Cc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594609076 348081564 /nfs/dbraw/zinc/08/15/64/348081564.db2.gz OZIQVORLTXKTIP-UHFFFAOYSA-N 1 1 234.249 2.399 20 30 BEEDMO CCCCC(N)=[NH+]OCc1cncc(F)c1 ZINC000281310265 168586626 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COc1ccc(C[NH+]2CCC(C)(C#N)CC2)nc1 ZINC000272562083 351485725 /nfs/dbraw/zinc/48/57/25/351485725.db2.gz LWMAKFZNWBJOCA-UHFFFAOYSA-N 1 1 245.326 2.216 20 30 BEEDMO C#CC[N@@H+](C)CCCNc1ncccc1Cl ZINC000292656971 351588317 /nfs/dbraw/zinc/58/83/17/351588317.db2.gz CBTMLDMCIYAEOC-UHFFFAOYSA-N 1 1 237.734 2.102 20 30 BEEDMO C[C@H](CCC#N)[N@@H+](C)CCc1ccncc1 ZINC000276599373 351637059 /nfs/dbraw/zinc/63/70/59/351637059.db2.gz QWRVMCOAPUNGOY-GFCCVEGCSA-N 1 1 217.316 2.248 20 30 BEEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cccnc1 ZINC000276364455 351617994 /nfs/dbraw/zinc/61/79/94/351617994.db2.gz ZMSCZKQDXALQPH-LLVKDONJSA-N 1 1 203.289 2.206 20 30 BEEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cccnc1 ZINC000276364458 351618585 /nfs/dbraw/zinc/61/85/85/351618585.db2.gz ZMSCZKQDXALQPH-NSHDSACASA-N 1 1 203.289 2.206 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ncncc12 ZINC000637837817 351692124 /nfs/dbraw/zinc/69/21/24/351692124.db2.gz LQNBNHFJEOLCNI-UHFFFAOYSA-N 1 1 230.315 2.308 20 30 BEEDMO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000577720345 366042442 /nfs/dbraw/zinc/04/24/42/366042442.db2.gz QXWQAKHXUYPZOF-DOMZBBRYSA-N 1 1 243.354 2.036 20 30 BEEDMO C[N@@H+](Cc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278539680 351768791 /nfs/dbraw/zinc/76/87/91/351768791.db2.gz GCNZOEGVAHUMLN-GHMZBOCLSA-N 1 1 204.273 2.404 20 30 BEEDMO CCN(CCC#N)CC[N@@H+](C)Cc1ccccc1 ZINC000278560586 351770481 /nfs/dbraw/zinc/77/04/81/351770481.db2.gz IISBMEKQRAGXKU-UHFFFAOYSA-N 1 1 245.370 2.354 20 30 BEEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCC#N ZINC000281197792 351879779 /nfs/dbraw/zinc/87/97/79/351879779.db2.gz AIKQSHVEBXFVIT-CYBMUJFWSA-N 1 1 232.331 2.251 20 30 BEEDMO NC(=[NH+]OCc1cncc(F)c1)C1CCCC1 ZINC000281232146 351882732 /nfs/dbraw/zinc/88/27/32/351882732.db2.gz UUCKZBNXWRMXQI-UHFFFAOYSA-N 1 1 237.278 2.200 20 30 BEEDMO C=CCCC[N@H+](C)C[C@H](OC)C1CCOCC1 ZINC000638100398 351980542 /nfs/dbraw/zinc/98/05/42/351980542.db2.gz ZDMNOKHQGNNAKQ-AWEZNQCLSA-N 1 1 241.375 2.326 20 30 BEEDMO Cn1nccc1C1=CC[N@@H+](CCCCC#N)CC1 ZINC000285575058 352050813 /nfs/dbraw/zinc/05/08/13/352050813.db2.gz KNOHBSYCWSEJNN-UHFFFAOYSA-N 1 1 244.342 2.203 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)CCC=C ZINC000285603748 352052761 /nfs/dbraw/zinc/05/27/61/352052761.db2.gz JLPOEVJXTGHLBE-MRXNPFEDSA-N 1 1 243.350 2.449 20 30 BEEDMO COc1ccc(C(N)=[NH+]OCCCCF)cc1 ZINC000285173406 352027168 /nfs/dbraw/zinc/02/71/68/352027168.db2.gz NMOMRLMHOANAFT-UHFFFAOYSA-N 1 1 240.278 2.082 20 30 BEEDMO C=CCC[C@@H]([NH2+]Cc1cnnn1C)c1ccco1 ZINC000287360981 352123851 /nfs/dbraw/zinc/12/38/51/352123851.db2.gz ODJBORVFHRNSSC-GFCCVEGCSA-N 1 1 246.314 2.205 20 30 BEEDMO C=CC[N@@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287752667 352133235 /nfs/dbraw/zinc/13/32/35/352133235.db2.gz LSDMMEFPVRLMHO-UHFFFAOYSA-N 1 1 220.316 2.325 20 30 BEEDMO C=CC[N@H+](C)Cc1c(C)cc(C)nc1OC ZINC000287752667 352133238 /nfs/dbraw/zinc/13/32/38/352133238.db2.gz LSDMMEFPVRLMHO-UHFFFAOYSA-N 1 1 220.316 2.325 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000286146229 352078275 /nfs/dbraw/zinc/07/82/75/352078275.db2.gz NHIRRMKPOPIDJU-ZDUSSCGKSA-N 1 1 235.302 2.203 20 30 BEEDMO CC[C@]1(CO)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000618887574 352159936 /nfs/dbraw/zinc/15/99/36/352159936.db2.gz FQEBLTWBXGFJTR-QWHCGFSZSA-N 1 1 224.348 2.163 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)C(C)C ZINC000340292294 352160892 /nfs/dbraw/zinc/16/08/92/352160892.db2.gz TZDGSNJONAXMFE-CYBMUJFWSA-N 1 1 226.364 2.265 20 30 BEEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cccnc1 ZINC000618887813 352163638 /nfs/dbraw/zinc/16/36/38/352163638.db2.gz KGTRDXGWPKGTBA-LBPRGKRZSA-N 1 1 217.316 2.453 20 30 BEEDMO CN(C)c1ccccc1C[N@@H+](C)CCCC#N ZINC000288756996 352164243 /nfs/dbraw/zinc/16/42/43/352164243.db2.gz GXZMAAALOQAFMM-UHFFFAOYSA-N 1 1 231.343 2.488 20 30 BEEDMO COC[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000618888188 352165820 /nfs/dbraw/zinc/16/58/20/352165820.db2.gz NXUDQYRQWMMFPZ-OLZOCXBDSA-N 1 1 224.348 2.285 20 30 BEEDMO N#CCCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289398207 352183569 /nfs/dbraw/zinc/18/35/69/352183569.db2.gz RTFRDIKJALYEQR-UHFFFAOYSA-N 1 1 227.311 2.474 20 30 BEEDMO N#CC1(CC[N@H+](CCO)C2CC2)CCCCC1 ZINC000411160607 191162814 /nfs/dbraw/zinc/16/28/14/191162814.db2.gz ARGXOIBRSOABIF-UHFFFAOYSA-N 1 1 236.359 2.307 20 30 BEEDMO CC(C)CC[N@H+](CCC#N)CCc1cncn1C ZINC000290065223 352208809 /nfs/dbraw/zinc/20/88/09/352208809.db2.gz PQMDKGFFWXVPKS-UHFFFAOYSA-N 1 1 248.374 2.224 20 30 BEEDMO CC(C)CC[N@@H+](CCC#N)CCc1cncn1C ZINC000290065223 352208814 /nfs/dbraw/zinc/20/88/14/352208814.db2.gz PQMDKGFFWXVPKS-UHFFFAOYSA-N 1 1 248.374 2.224 20 30 BEEDMO C=C(C)C[N@H+](CC)CCCC(=O)NCCC ZINC000411151964 191164349 /nfs/dbraw/zinc/16/43/49/191164349.db2.gz FBMFAZMDKKEDOC-UHFFFAOYSA-N 1 1 226.364 2.191 20 30 BEEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000411194324 191168372 /nfs/dbraw/zinc/16/83/72/191168372.db2.gz GSWNSLANJDSYRW-CYBMUJFWSA-N 1 1 236.359 2.307 20 30 BEEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CC(C)C ZINC000411196298 191169886 /nfs/dbraw/zinc/16/98/86/191169886.db2.gz BHXGQZGZBRSYJK-GFCCVEGCSA-N 1 1 226.364 2.045 20 30 BEEDMO COC(C)(C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000383070553 352340994 /nfs/dbraw/zinc/34/09/94/352340994.db2.gz FSSRHHAWVROVPN-UHFFFAOYSA-N 1 1 232.327 2.415 20 30 BEEDMO N#CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000411462738 191187461 /nfs/dbraw/zinc/18/74/61/191187461.db2.gz QSFLRLYWRBBHHW-KGLIPLIRSA-N 1 1 230.311 2.267 20 30 BEEDMO N#CCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000411462739 191188053 /nfs/dbraw/zinc/18/80/53/191188053.db2.gz QSFLRLYWRBBHHW-UONOGXRCSA-N 1 1 230.311 2.267 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411401041 191182472 /nfs/dbraw/zinc/18/24/72/191182472.db2.gz WAZOFCBAPIRIGE-FRRDWIJNSA-N 1 1 222.332 2.037 20 30 BEEDMO C[C@@H](CO)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411399393 191183378 /nfs/dbraw/zinc/18/33/78/191183378.db2.gz GHHIANQREDBWBN-LBPRGKRZSA-N 1 1 224.348 2.163 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411406637 191184209 /nfs/dbraw/zinc/18/42/09/191184209.db2.gz JTDWUVUZTAATRL-TZMCWYRMSA-N 1 1 236.359 2.427 20 30 BEEDMO CCC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000411417699 191184631 /nfs/dbraw/zinc/18/46/31/191184631.db2.gz MTTAYCBKCFSTNU-NWDGAFQWSA-N 1 1 210.321 2.180 20 30 BEEDMO CCC[C@@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000411417699 191184633 /nfs/dbraw/zinc/18/46/33/191184633.db2.gz MTTAYCBKCFSTNU-NWDGAFQWSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000411639646 191197799 /nfs/dbraw/zinc/19/77/99/191197799.db2.gz UNZGHXSWZLRCCQ-CHWSQXEVSA-N 1 1 223.364 2.095 20 30 BEEDMO C[C@H](CCC#N)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000411639646 191197800 /nfs/dbraw/zinc/19/78/00/191197800.db2.gz UNZGHXSWZLRCCQ-CHWSQXEVSA-N 1 1 223.364 2.095 20 30 BEEDMO CO[C@@H]1C[N@H+]([C@@H](C)CCC#N)CC[C@H]1C ZINC000411617541 191198397 /nfs/dbraw/zinc/19/83/97/191198397.db2.gz UFVUKXPTGBXVNM-GRYCIOLGSA-N 1 1 210.321 2.035 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCSC[C@H](C)C1 ZINC000411636207 191199774 /nfs/dbraw/zinc/19/97/74/191199774.db2.gz RJEUEMOVZJHUSR-GHMZBOCLSA-N 1 1 212.362 2.364 20 30 BEEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000411722517 191206742 /nfs/dbraw/zinc/20/67/42/191206742.db2.gz VDZXOKCYPGWGGU-RDBSUJKOSA-N 1 1 235.375 2.237 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000411722517 191206744 /nfs/dbraw/zinc/20/67/44/191206744.db2.gz VDZXOKCYPGWGGU-RDBSUJKOSA-N 1 1 235.375 2.237 20 30 BEEDMO C[C@H](CCC#N)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000411763177 191209398 /nfs/dbraw/zinc/20/93/98/191209398.db2.gz YOZOYDZRXGOMGZ-BARDWOONSA-N 1 1 249.402 2.341 20 30 BEEDMO C[C@H](CCC#N)[N@@H+]1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000411763177 191209400 /nfs/dbraw/zinc/20/94/00/191209400.db2.gz YOZOYDZRXGOMGZ-BARDWOONSA-N 1 1 249.402 2.341 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCN([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000411763177 191209402 /nfs/dbraw/zinc/20/94/02/191209402.db2.gz YOZOYDZRXGOMGZ-BARDWOONSA-N 1 1 249.402 2.341 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000411780643 191209905 /nfs/dbraw/zinc/20/99/05/191209905.db2.gz ALBIVLVQTROOLV-SYQHCUMBSA-N 1 1 236.359 2.162 20 30 BEEDMO C[C@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528459049 352498414 /nfs/dbraw/zinc/49/84/14/352498414.db2.gz TXTQIHUVYGUTJP-QWHCGFSZSA-N 1 1 236.359 2.163 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411800950 191213676 /nfs/dbraw/zinc/21/36/76/191213676.db2.gz MAPGXJMDHXJODG-CHWSQXEVSA-N 1 1 222.332 2.181 20 30 BEEDMO C=CCOc1cccc(C[N@@H+](CC)CCCO)c1 ZINC000271210144 187747392 /nfs/dbraw/zinc/74/73/92/187747392.db2.gz UIFHJRVJTLWGNP-UHFFFAOYSA-N 1 1 249.354 2.456 20 30 BEEDMO CC#CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411923041 191228008 /nfs/dbraw/zinc/22/80/08/191228008.db2.gz KCMNNKLRDRIOET-HUUCEWRRSA-N 1 1 229.323 2.208 20 30 BEEDMO N#CCCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411920634 191228272 /nfs/dbraw/zinc/22/82/72/191228272.db2.gz CKOWTQZEMUICBV-KGLIPLIRSA-N 1 1 230.311 2.098 20 30 BEEDMO C=C[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC000638747654 352682221 /nfs/dbraw/zinc/68/22/21/352682221.db2.gz HSEDBVCPIDDXGY-SECBINFHSA-N 1 1 202.257 2.492 20 30 BEEDMO C[C@@H]1C[C@H](O)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000334180404 352768138 /nfs/dbraw/zinc/76/81/38/352768138.db2.gz DWYXEYSPADGAGG-RISCZKNCSA-N 1 1 249.741 2.147 20 30 BEEDMO C[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccccc1Cl ZINC000334213419 352811748 /nfs/dbraw/zinc/81/17/48/352811748.db2.gz DXPRQZCIWMVQQS-DGCLKSJQSA-N 1 1 249.741 2.147 20 30 BEEDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccccc1Cl ZINC000334213419 352811750 /nfs/dbraw/zinc/81/17/50/352811750.db2.gz DXPRQZCIWMVQQS-DGCLKSJQSA-N 1 1 249.741 2.147 20 30 BEEDMO C=C(C)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000334237144 352855125 /nfs/dbraw/zinc/85/51/25/352855125.db2.gz IIRJTPZYUVVPLQ-UHFFFAOYSA-N 1 1 209.333 2.455 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000271144507 188090909 /nfs/dbraw/zinc/09/09/09/188090909.db2.gz QUZRXEWVIJZWKC-UHFFFAOYSA-N 1 1 219.332 2.093 20 30 BEEDMO C#CC[N@H+](CC)Cc1cnn(C(C)(C)C)c1 ZINC000271144507 188090911 /nfs/dbraw/zinc/09/09/11/188090911.db2.gz QUZRXEWVIJZWKC-UHFFFAOYSA-N 1 1 219.332 2.093 20 30 BEEDMO C#CC[N@@H+](Cc1cn(C)nc1C(C)(C)C)C1CC1 ZINC000274152088 188091767 /nfs/dbraw/zinc/09/17/67/188091767.db2.gz SOCDYEPKGIHJEM-UHFFFAOYSA-N 1 1 245.370 2.315 20 30 BEEDMO C#CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C1CC1 ZINC000274152088 188091769 /nfs/dbraw/zinc/09/17/69/188091769.db2.gz SOCDYEPKGIHJEM-UHFFFAOYSA-N 1 1 245.370 2.315 20 30 BEEDMO C=C(C)CC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000274798546 188092789 /nfs/dbraw/zinc/09/27/89/188092789.db2.gz UILIWRUBWCCCBY-UHFFFAOYSA-N 1 1 248.326 2.004 20 30 BEEDMO C#CC[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276893829 188094204 /nfs/dbraw/zinc/09/42/04/188094204.db2.gz CICPCUHCFZNWSE-JTQLQIEISA-N 1 1 218.256 2.221 20 30 BEEDMO C#CC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276893829 188094206 /nfs/dbraw/zinc/09/42/06/188094206.db2.gz CICPCUHCFZNWSE-JTQLQIEISA-N 1 1 218.256 2.221 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000279123633 188095656 /nfs/dbraw/zinc/09/56/56/188095656.db2.gz XLHDNRYYLPPDIN-UHFFFAOYSA-N 1 1 229.323 2.279 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000279123633 188095657 /nfs/dbraw/zinc/09/56/57/188095657.db2.gz XLHDNRYYLPPDIN-UHFFFAOYSA-N 1 1 229.323 2.279 20 30 BEEDMO C=C(C)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000264060160 188087314 /nfs/dbraw/zinc/08/73/14/188087314.db2.gz XLQSAOLUQZQIBC-CYBMUJFWSA-N 1 1 205.301 2.228 20 30 BEEDMO C#CC[N@@H+](CC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000267374527 188088177 /nfs/dbraw/zinc/08/81/77/188088177.db2.gz YVOSMENYMBGGOH-SNVBAGLBSA-N 1 1 235.283 2.082 20 30 BEEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000267374527 188088179 /nfs/dbraw/zinc/08/81/79/188088179.db2.gz YVOSMENYMBGGOH-SNVBAGLBSA-N 1 1 235.283 2.082 20 30 BEEDMO C#CCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000268730063 188088936 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370108471 /nfs/dbraw/zinc/10/84/71/370108471.db2.gz QZHLGJBKHSYOKK-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO CC[N@H+]1CCN(CCCC(C)(C)C#N)C[C@H]1C ZINC000252664845 370108479 /nfs/dbraw/zinc/10/84/79/370108479.db2.gz QZHLGJBKHSYOKK-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccnc(C)c1 ZINC000621285567 370214430 /nfs/dbraw/zinc/21/44/30/370214430.db2.gz BZGIVZYIKWNYBV-UHFFFAOYSA-N 1 1 220.316 2.024 20 30 BEEDMO CC#CC[N@H+](C)Cc1cncc(Cl)c1 ZINC000621298086 370226075 /nfs/dbraw/zinc/22/60/75/370226075.db2.gz IXHFXSBGMSIBGC-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cncc(Cl)c1 ZINC000621298086 370226079 /nfs/dbraw/zinc/22/60/79/370226079.db2.gz IXHFXSBGMSIBGC-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO N#CCCCC[N@H+](CCO)CCc1ccccc1 ZINC000112698745 370345792 /nfs/dbraw/zinc/34/57/92/370345792.db2.gz PFGDXKOUBUBVAE-UHFFFAOYSA-N 1 1 246.354 2.217 20 30 BEEDMO CC[N@@H+](Cc1ccc(O)cc1)C[C@H](C)C#N ZINC000094680041 370448453 /nfs/dbraw/zinc/44/84/53/370448453.db2.gz NIVDOQHDHKOVKL-LLVKDONJSA-N 1 1 218.300 2.374 20 30 BEEDMO CC[N@H+](Cc1ccc(O)cc1)C[C@H](C)C#N ZINC000094680041 370448457 /nfs/dbraw/zinc/44/84/57/370448457.db2.gz NIVDOQHDHKOVKL-LLVKDONJSA-N 1 1 218.300 2.374 20 30 BEEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000114729427 370591161 /nfs/dbraw/zinc/59/11/61/370591161.db2.gz OSFAXFKOXLYPNM-ZDUSSCGKSA-N 1 1 238.375 2.047 20 30 BEEDMO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@H](C)S1 ZINC000070383292 371026514 /nfs/dbraw/zinc/02/65/14/371026514.db2.gz BVDNEPXUJBOIMR-PHIMTYICSA-N 1 1 247.367 2.279 20 30 BEEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC[C@@H]1O ZINC000275418314 371100959 /nfs/dbraw/zinc/10/09/59/371100959.db2.gz HFULJICZFJFADT-AWEZNQCLSA-N 1 1 244.338 2.151 20 30 BEEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCOC1 ZINC000093840337 371187578 /nfs/dbraw/zinc/18/75/78/371187578.db2.gz CKLQKDJODNNALM-JTQLQIEISA-N 1 1 236.340 2.088 20 30 BEEDMO C[C@@H](CC#N)[NH2+]CCOc1ccccc1F ZINC000390262703 371192109 /nfs/dbraw/zinc/19/21/09/371192109.db2.gz OJUIDFOJSKUZPE-JTQLQIEISA-N 1 1 222.263 2.096 20 30 BEEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000155458485 371244641 /nfs/dbraw/zinc/24/46/41/371244641.db2.gz YUDOODAJPKXVJY-GFCCVEGCSA-N 1 1 234.299 2.152 20 30 BEEDMO C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216249338 371725518 /nfs/dbraw/zinc/72/55/18/371725518.db2.gz AQITYUJVGUYWFY-SMDDNHRTSA-N 1 1 230.311 2.076 20 30 BEEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000228486828 372033744 /nfs/dbraw/zinc/03/37/44/372033744.db2.gz KNUYGVUPKLHKPM-MJBXVCDLSA-N 1 1 248.370 2.306 20 30 BEEDMO C#CC[N@@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC001642967788 1172423121 /nfs/dbraw/zinc/42/31/21/1172423121.db2.gz WYGMGHQBFQLMSS-UHFFFAOYSA-N 1 1 248.301 2.028 20 30 BEEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000632849833 373188469 /nfs/dbraw/zinc/18/84/69/373188469.db2.gz QUKXXNLHXLYDBK-UPJWGTAASA-N 1 1 238.375 2.188 20 30 BEEDMO C[C@@H]1CSCC[N@@H+](CCCSCC#N)C1 ZINC000190422381 259565123 /nfs/dbraw/zinc/56/51/23/259565123.db2.gz XQCWFUQCKKBOOA-NSHDSACASA-N 1 1 244.429 2.318 20 30 BEEDMO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000633965116 373863616 /nfs/dbraw/zinc/86/36/16/373863616.db2.gz YUDVSBNNQIWNSR-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C[C@H]([NH2+]Cc1cc[nH]n1)c1cccc(C#N)c1 ZINC000041015580 374046102 /nfs/dbraw/zinc/04/61/02/374046102.db2.gz WONUYEVEHMMYMT-JTQLQIEISA-N 1 1 226.283 2.132 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2cccc(O)c2)o1 ZINC000174333033 374182389 /nfs/dbraw/zinc/18/23/89/374182389.db2.gz VYRNJPBBJAYBIO-UHFFFAOYSA-N 1 1 228.251 2.147 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)o1 ZINC000174417882 374192249 /nfs/dbraw/zinc/19/22/49/374192249.db2.gz LAPYOTGBTMFBAY-UHFFFAOYSA-N 1 1 246.241 2.286 20 30 BEEDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000174377149 374187669 /nfs/dbraw/zinc/18/76/69/374187669.db2.gz JFXBWHIVAAAILJ-LBPRGKRZSA-N 1 1 247.342 2.115 20 30 BEEDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)o1 ZINC000174377149 374187679 /nfs/dbraw/zinc/18/76/79/374187679.db2.gz JFXBWHIVAAAILJ-LBPRGKRZSA-N 1 1 247.342 2.115 20 30 BEEDMO C=C(C)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000174771168 206006657 /nfs/dbraw/zinc/00/66/57/206006657.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 1 1 210.365 2.225 20 30 BEEDMO C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174771168 206006661 /nfs/dbraw/zinc/00/66/61/206006661.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 1 1 210.365 2.225 20 30 BEEDMO C=C(C)C[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000174771168 206006666 /nfs/dbraw/zinc/00/66/66/206006666.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 1 1 210.365 2.225 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000174771168 206006670 /nfs/dbraw/zinc/00/66/70/206006670.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 1 1 210.365 2.225 20 30 BEEDMO C=C[C@H](CO)[NH2+]Cc1cccc(Cl)c1F ZINC000289452583 206028268 /nfs/dbraw/zinc/02/82/68/206028268.db2.gz BTKPCYKDAFLYOM-SECBINFHSA-N 1 1 229.682 2.116 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000424634893 206043150 /nfs/dbraw/zinc/04/31/50/206043150.db2.gz FGJGWPLMQVPYCW-NSHDSACASA-N 1 1 238.375 2.188 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(CC)c1 ZINC000426564782 206051759 /nfs/dbraw/zinc/05/17/59/206051759.db2.gz ILENLQSBFQCIIG-CYBMUJFWSA-N 1 1 219.332 2.444 20 30 BEEDMO Cc1cc(C#N)cc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000456975744 206118944 /nfs/dbraw/zinc/11/89/44/206118944.db2.gz ZKFFRBIUIMARNT-UHFFFAOYSA-N 1 1 245.326 2.145 20 30 BEEDMO CCN1C[C@@H](C)[NH+](CCC(C)(C)C#N)[C@H](C)C1 ZINC000459465946 206129178 /nfs/dbraw/zinc/12/91/78/206129178.db2.gz QOVZKNLNXDJGHX-CHWSQXEVSA-N 1 1 237.391 2.341 20 30 BEEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)CCS1 ZINC000192170518 259583809 /nfs/dbraw/zinc/58/38/09/259583809.db2.gz FIIHKNJMXXIMSU-LLVKDONJSA-N 1 1 244.429 2.461 20 30 BEEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000357774904 169129790 /nfs/dbraw/zinc/12/97/90/169129790.db2.gz MYBQMZQHALOUBB-LBPRGKRZSA-N 1 1 246.358 2.486 20 30 BEEDMO C=C(C)C[N@H+](C)Cc1cnc2ccccn12 ZINC000181265248 134334467 /nfs/dbraw/zinc/33/44/67/134334467.db2.gz QAHMLJTXKATEGB-UHFFFAOYSA-N 1 1 215.300 2.342 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000181243400 134334531 /nfs/dbraw/zinc/33/45/31/134334531.db2.gz RRDSAVLQWIZUQV-LBPRGKRZSA-N 1 1 238.375 2.332 20 30 BEEDMO CC#CC[N@@H+](CCO)[C@H](C)c1ccccc1 ZINC001644977065 1172624040 /nfs/dbraw/zinc/62/40/40/1172624040.db2.gz HIZYPHWYUWPGOR-CYBMUJFWSA-N 1 1 217.312 2.065 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088102344 383879768 /nfs/dbraw/zinc/87/97/68/383879768.db2.gz BZPDMLZVSXFZNJ-LBPRGKRZSA-N 1 1 244.338 2.398 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccc2c(c1)CCO2 ZINC000088102344 383879776 /nfs/dbraw/zinc/87/97/76/383879776.db2.gz BZPDMLZVSXFZNJ-LBPRGKRZSA-N 1 1 244.338 2.398 20 30 BEEDMO C#CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000306687601 383859764 /nfs/dbraw/zinc/85/97/64/383859764.db2.gz HTNGGTVNAXNUBM-BDAKNGLRSA-N 1 1 218.127 2.135 20 30 BEEDMO C#CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000306687601 383859770 /nfs/dbraw/zinc/85/97/70/383859770.db2.gz HTNGGTVNAXNUBM-BDAKNGLRSA-N 1 1 218.127 2.135 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1CC ZINC000185598935 134382446 /nfs/dbraw/zinc/38/24/46/134382446.db2.gz CLJVWXDWHYEZCM-XQQFMLRXSA-N 1 1 211.349 2.434 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)cc1 ZINC000036679098 383906723 /nfs/dbraw/zinc/90/67/23/383906723.db2.gz WRUZCDUWZRVLPF-GFCCVEGCSA-N 1 1 218.300 2.477 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccncc1C ZINC000560120039 383912795 /nfs/dbraw/zinc/91/27/95/383912795.db2.gz BNKYJYRRHKWMPF-UHFFFAOYSA-N 1 1 220.316 2.024 20 30 BEEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000336164859 383940265 /nfs/dbraw/zinc/94/02/65/383940265.db2.gz RPCOJVJCVIMCKS-CQSZACIVSA-N 1 1 230.311 2.169 20 30 BEEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)C2)ccc1C#N ZINC000334765326 383949963 /nfs/dbraw/zinc/94/99/63/383949963.db2.gz QZKVPBYEPQQKKB-OAHLLOKOSA-N 1 1 244.338 2.214 20 30 BEEDMO COc1cc(C#N)ccc1C[N@H+](C)C[C@H](C)OC ZINC000285544335 383957155 /nfs/dbraw/zinc/95/71/55/383957155.db2.gz GBKPQWZEHAOYIR-NSHDSACASA-N 1 1 248.326 2.034 20 30 BEEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cn[nH]c1 ZINC000339795201 384019949 /nfs/dbraw/zinc/01/99/49/384019949.db2.gz MKQGLSKINAQTQW-SECBINFHSA-N 1 1 244.273 2.271 20 30 BEEDMO C=CCCCC[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000560265032 384029051 /nfs/dbraw/zinc/02/90/51/384029051.db2.gz BKRISPYRJGJGBU-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO C[C@@H](CO)[N@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000289379168 384084104 /nfs/dbraw/zinc/08/41/04/384084104.db2.gz MIHKMOIXNBGTLB-NSHDSACASA-N 1 1 248.326 2.134 20 30 BEEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)C(C)(C)O ZINC000289321457 384075686 /nfs/dbraw/zinc/07/56/86/384075686.db2.gz KBKBSGGNXVXFDD-NSHDSACASA-N 1 1 232.327 2.149 20 30 BEEDMO C#CC[N@H+](C)CCCc1ccc(OC)cc1 ZINC000299101544 384116979 /nfs/dbraw/zinc/11/69/79/384116979.db2.gz WKJLGNDYERILLP-UHFFFAOYSA-N 1 1 217.312 2.193 20 30 BEEDMO N#CCCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091892369 384153635 /nfs/dbraw/zinc/15/36/35/384153635.db2.gz LMHYZCDCOPJBRH-UHFFFAOYSA-N 1 1 218.275 2.488 20 30 BEEDMO N#CCCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091892369 384153637 /nfs/dbraw/zinc/15/36/37/384153637.db2.gz LMHYZCDCOPJBRH-UHFFFAOYSA-N 1 1 218.275 2.488 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC2(CC2)C1 ZINC000186981471 384172835 /nfs/dbraw/zinc/17/28/35/384172835.db2.gz FARJMADUCKMCQU-UHFFFAOYSA-N 1 1 248.370 2.063 20 30 BEEDMO C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187080142 384160699 /nfs/dbraw/zinc/16/06/99/384160699.db2.gz CRDXWWGVAXCFNV-SECBINFHSA-N 1 1 238.718 2.024 20 30 BEEDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187080142 384160705 /nfs/dbraw/zinc/16/07/05/384160705.db2.gz CRDXWWGVAXCFNV-SECBINFHSA-N 1 1 238.718 2.024 20 30 BEEDMO CN1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135180193 384169945 /nfs/dbraw/zinc/16/99/45/384169945.db2.gz KRQBSUNYPCGZFC-ZDUSSCGKSA-N 1 1 237.391 2.248 20 30 BEEDMO C=CC[NH+](CC=C)Cc1ccc(C#N)cn1 ZINC000569536096 384184056 /nfs/dbraw/zinc/18/40/56/384184056.db2.gz ZMKZCSSIBYLVFN-UHFFFAOYSA-N 1 1 213.284 2.127 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000299390385 384206135 /nfs/dbraw/zinc/20/61/35/384206135.db2.gz JILHBXCSDRAACN-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000299390385 384206140 /nfs/dbraw/zinc/20/61/40/384206140.db2.gz JILHBXCSDRAACN-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO C#CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095677 533047614 /nfs/dbraw/zinc/04/76/14/533047614.db2.gz PLJZPRLGLHRNKW-KFWWJZLASA-N 1 1 235.371 2.415 20 30 BEEDMO C#CCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369426475 533049914 /nfs/dbraw/zinc/04/99/14/533049914.db2.gz MNTWGCFLFBRAPJ-KGLIPLIRSA-N 1 1 221.344 2.148 20 30 BEEDMO CC#CC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000158355054 384213019 /nfs/dbraw/zinc/21/30/19/384213019.db2.gz FRIYASNUGKIMSQ-UHFFFAOYSA-N 1 1 233.311 2.159 20 30 BEEDMO CC#CC[N@H+](C)Cc1ccc(OC)cc1OC 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C[N@H+](CC(C)(C)C#N)[C@@H]1CC[C@H](C#N)C1 ZINC000334460013 386110590 /nfs/dbraw/zinc/11/05/90/386110590.db2.gz UFTPFLLTGCSHPG-WDEREUQCSA-N 1 1 205.305 2.160 20 30 BEEDMO C[N@@H+](CC(C)(C)C#N)[C@@H]1CC[C@H](C#N)C1 ZINC000334460013 386110596 /nfs/dbraw/zinc/11/05/96/386110596.db2.gz UFTPFLLTGCSHPG-WDEREUQCSA-N 1 1 205.305 2.160 20 30 BEEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]1O ZINC000164634309 386168957 /nfs/dbraw/zinc/16/89/57/386168957.db2.gz JLVUMEWONCQNSJ-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CCN(CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647882084 386217268 /nfs/dbraw/zinc/21/72/68/386217268.db2.gz IJPFLXKGYQTHHA-MRXNPFEDSA-N 1 1 244.382 2.327 20 30 BEEDMO C[NH+](C)[C@@H]1CCCN(CCC(C)(C)C#N)CC1 ZINC000347114840 386230848 /nfs/dbraw/zinc/23/08/48/386230848.db2.gz AWUPTVICZNHNSP-CYBMUJFWSA-N 1 1 237.391 2.342 20 30 BEEDMO N#CC1(C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000334480072 386311870 /nfs/dbraw/zinc/31/18/70/386311870.db2.gz UJRDWSWMCMHYSS-UHFFFAOYSA-N 1 1 234.343 2.183 20 30 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C[C@@H](CC#N)[N@@H+](C)CC[C@H]1CCCCO1 ZINC000347465668 386414965 /nfs/dbraw/zinc/41/49/65/386414965.db2.gz OCSNJOXVWDVNPG-NWDGAFQWSA-N 1 1 210.321 2.180 20 30 BEEDMO C[C@@H](C#N)C[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000527358198 386421867 /nfs/dbraw/zinc/42/18/67/386421867.db2.gz YPOQOJVEAURRSN-VIFPVBQESA-N 1 1 246.339 2.387 20 30 BEEDMO CO[C@H](C)C[N@@H+](CC1(C#N)CC1)C(C)C ZINC000347478125 386435510 /nfs/dbraw/zinc/43/55/10/386435510.db2.gz LQXQXLVVAOWKKL-LLVKDONJSA-N 1 1 210.321 2.035 20 30 BEEDMO CCn1cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000519549921 386486099 /nfs/dbraw/zinc/48/60/99/386486099.db2.gz HVPAKRKDANBGCJ-WCQYABFASA-N 1 1 232.331 2.027 20 30 BEEDMO CCn1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000519549920 386487258 /nfs/dbraw/zinc/48/72/58/386487258.db2.gz HVPAKRKDANBGCJ-DGCLKSJQSA-N 1 1 232.331 2.027 20 30 BEEDMO CO[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000267713730 386488626 /nfs/dbraw/zinc/48/86/26/386488626.db2.gz XERKEMJCVOZRKN-FZMZJTMJSA-N 1 1 230.311 2.340 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C#CC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000034873321 386609431 /nfs/dbraw/zinc/60/94/31/386609431.db2.gz KFYDBROQPJKCSA-NSHDSACASA-N 1 1 232.283 2.091 20 30 in-vitro BEEDMO C[N@@H+](CCCF)Cc1cccc(C#N)c1 ZINC000128824187 386617246 /nfs/dbraw/zinc/61/72/46/386617246.db2.gz YHUAVMVRSLKFIB-UHFFFAOYSA-N 1 1 206.264 2.350 20 30 BEEDMO CC#CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000520575107 386701175 /nfs/dbraw/zinc/70/11/75/386701175.db2.gz BSQYGNYDXHSDFH-ZIAGYGMSSA-N 1 1 221.344 2.291 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000330392090 386701185 /nfs/dbraw/zinc/70/11/85/386701185.db2.gz PNTVLECRZDUNRQ-ZDUSSCGKSA-N 1 1 249.358 2.178 20 30 BEEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000645091815 386718093 /nfs/dbraw/zinc/71/80/93/386718093.db2.gz UJMFRQUMLKWQKO-AWEZNQCLSA-N 1 1 249.358 2.068 20 30 BEEDMO C=C(C)CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000452720323 386750526 /nfs/dbraw/zinc/75/05/26/386750526.db2.gz WHHZRFXDOKUQPV-ZDUSSCGKSA-N 1 1 238.375 2.333 20 30 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C#C[C@H](C)[N@@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000491370712 388289137 /nfs/dbraw/zinc/28/91/37/388289137.db2.gz AMFUCVFHZIYXNH-JTQLQIEISA-N 1 1 222.719 2.497 20 30 BEEDMO C#C[C@H](C)N(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000491370965 388289268 /nfs/dbraw/zinc/28/92/68/388289268.db2.gz BYVVLADOTXVTEY-NSHDSACASA-N 1 1 232.327 2.161 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000491370965 388289270 /nfs/dbraw/zinc/28/92/70/388289270.db2.gz BYVVLADOTXVTEY-NSHDSACASA-N 1 1 232.327 2.161 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC000491370965 388289271 /nfs/dbraw/zinc/28/92/71/388289271.db2.gz BYVVLADOTXVTEY-NSHDSACASA-N 1 1 232.327 2.161 20 30 BEEDMO N#CC1(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CCC1 ZINC000451696173 388290043 /nfs/dbraw/zinc/29/00/43/388290043.db2.gz FWHZUAWPXBYWMY-MGPQQGTHSA-N 1 1 248.370 2.163 20 30 BEEDMO C=CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451719803 388291577 /nfs/dbraw/zinc/29/15/77/388291577.db2.gz XMZKUKIFALYIJU-MCIONIFRSA-N 1 1 223.360 2.436 20 30 BEEDMO N#CCCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451720130 388291667 /nfs/dbraw/zinc/29/16/67/388291667.db2.gz XTGXVNMMUVAIHH-RDBSUJKOSA-N 1 1 236.359 2.163 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)CC1(OC)CCCCC1 ZINC000491414391 388292930 /nfs/dbraw/zinc/29/29/30/388292930.db2.gz CJJLJVHYVKBVMR-GFCCVEGCSA-N 1 1 209.333 2.289 20 30 BEEDMO CC[C@H]1C[N@@H+](CC)CCN1CCC(C)(C)C#N ZINC000451746266 388293334 /nfs/dbraw/zinc/29/33/34/388293334.db2.gz YWWVUODZFQPDPZ-ZDUSSCGKSA-N 1 1 237.391 2.342 20 30 BEEDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC(C)(C)C#N ZINC000451746266 388293336 /nfs/dbraw/zinc/29/33/36/388293336.db2.gz YWWVUODZFQPDPZ-ZDUSSCGKSA-N 1 1 237.391 2.342 20 30 BEEDMO CC[C@H]1CN(CC)CC[N@H+]1CCC(C)(C)C#N ZINC000451746266 388293338 /nfs/dbraw/zinc/29/33/38/388293338.db2.gz YWWVUODZFQPDPZ-ZDUSSCGKSA-N 1 1 237.391 2.342 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451780587 388295412 /nfs/dbraw/zinc/29/54/12/388295412.db2.gz NTRXGDPOUACLPX-OLZOCXBDSA-N 1 1 243.391 2.042 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000491474346 388297200 /nfs/dbraw/zinc/29/72/00/388297200.db2.gz LXGLHGUMUQJWRO-SNVBAGLBSA-N 1 1 218.256 2.048 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000491474346 388297201 /nfs/dbraw/zinc/29/72/01/388297201.db2.gz LXGLHGUMUQJWRO-SNVBAGLBSA-N 1 1 218.256 2.048 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000491474345 388297246 /nfs/dbraw/zinc/29/72/46/388297246.db2.gz LXGLHGUMUQJWRO-JTQLQIEISA-N 1 1 218.256 2.048 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000491474345 388297248 /nfs/dbraw/zinc/29/72/48/388297248.db2.gz LXGLHGUMUQJWRO-JTQLQIEISA-N 1 1 218.256 2.048 20 30 BEEDMO C#CC[N@@H+](CN1CC[C@H](C)C1=O)C1CCCCC1 ZINC000491475369 388297642 /nfs/dbraw/zinc/29/76/42/388297642.db2.gz WDQWWOWVPAWRGM-ZDUSSCGKSA-N 1 1 248.370 2.080 20 30 BEEDMO C#CC[N@H+](CN1CC[C@H](C)C1=O)C1CCCCC1 ZINC000491475369 388297643 /nfs/dbraw/zinc/29/76/43/388297643.db2.gz WDQWWOWVPAWRGM-ZDUSSCGKSA-N 1 1 248.370 2.080 20 30 BEEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000451809211 388298063 /nfs/dbraw/zinc/29/80/63/388298063.db2.gz ILVJXDLZGHMGOA-LBPRGKRZSA-N 1 1 240.391 2.435 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451844855 388299440 /nfs/dbraw/zinc/29/94/40/388299440.db2.gz WMHDXKGIUJBTND-VXGBXAGGSA-N 1 1 209.333 2.452 20 30 BEEDMO C#CC[N@H+](C)CCCN(C)c1ccccc1 ZINC000491554234 388303337 /nfs/dbraw/zinc/30/33/37/388303337.db2.gz HIJKQOWLFQPNAU-UHFFFAOYSA-N 1 1 216.328 2.078 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)c(OC)c1 ZINC000491621436 388305378 /nfs/dbraw/zinc/30/53/78/388305378.db2.gz DNOCDAFMTXYATO-GFCCVEGCSA-N 1 1 217.312 2.457 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000491668091 388309673 /nfs/dbraw/zinc/30/96/73/388309673.db2.gz MADUHSFDFAZMTC-VXGBXAGGSA-N 1 1 237.343 2.062 20 30 BEEDMO C#CC[N@H+](CCCc1cnccc1C)C1CC1 ZINC000491692005 388311187 /nfs/dbraw/zinc/31/11/87/388311187.db2.gz QHHZNYWHYOGYAF-UHFFFAOYSA-N 1 1 228.339 2.420 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000491701248 388312552 /nfs/dbraw/zinc/31/25/52/388312552.db2.gz KZASJBMQCLLJJQ-SECBINFHSA-N 1 1 204.298 2.073 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000491701248 388312553 /nfs/dbraw/zinc/31/25/53/388312553.db2.gz KZASJBMQCLLJJQ-SECBINFHSA-N 1 1 204.298 2.073 20 30 BEEDMO C#CC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000491711007 388313692 /nfs/dbraw/zinc/31/36/92/388313692.db2.gz VQBAUEDDHUMVDH-NSHDSACASA-N 1 1 205.276 2.322 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000491713431 388314000 /nfs/dbraw/zinc/31/40/00/388314000.db2.gz CKMMDKFEHUUASV-NSHDSACASA-N 1 1 231.295 2.065 20 30 BEEDMO C#CC[N@H+](C[C@@H](CC(C)C)OC)C1CC1 ZINC000491717068 388314194 /nfs/dbraw/zinc/31/41/94/388314194.db2.gz PKFIYVHSNNZIPR-CYBMUJFWSA-N 1 1 209.333 2.145 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(CC)nc1 ZINC000491716393 388314218 /nfs/dbraw/zinc/31/42/18/388314218.db2.gz NAUYHVLDJLRLNC-NSHDSACASA-N 1 1 202.301 2.098 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000491722971 388314505 /nfs/dbraw/zinc/31/45/05/388314505.db2.gz ABSRDKREVMLFPG-SECBINFHSA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@H](C)[N@H+](C)CCCc1cc(CC)no1 ZINC000491724477 388314690 /nfs/dbraw/zinc/31/46/90/388314690.db2.gz GFNUNNOXORAYOE-NSHDSACASA-N 1 1 220.316 2.123 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000491732472 388315877 /nfs/dbraw/zinc/31/58/77/388315877.db2.gz AEJBVUAFALSEBL-JTQLQIEISA-N 1 1 213.284 2.016 20 30 BEEDMO C#CC[N@H+](CCC1(O)CCC1)Cc1ccccc1 ZINC000491754433 388318294 /nfs/dbraw/zinc/31/82/94/388318294.db2.gz SSRSQJJQVNQWES-UHFFFAOYSA-N 1 1 243.350 2.427 20 30 BEEDMO C#CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491778401 388320152 /nfs/dbraw/zinc/32/01/52/388320152.db2.gz YKGRERHRIGZQSJ-VXGBXAGGSA-N 1 1 237.343 2.062 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1sccc1OC ZINC000491796246 388321277 /nfs/dbraw/zinc/32/12/77/388321277.db2.gz YSXDIUXZSFXGKV-VIFPVBQESA-N 1 1 209.314 2.210 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1sccc1OC ZINC000491796246 388321278 /nfs/dbraw/zinc/32/12/78/388321278.db2.gz YSXDIUXZSFXGKV-VIFPVBQESA-N 1 1 209.314 2.210 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCOCC1CCCC1 ZINC000491802453 388321668 /nfs/dbraw/zinc/32/16/68/388321668.db2.gz GKOYBXNKABAFKX-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[N@@H+](CC)CCCCC(=O)OC(C)(C)C ZINC000490951332 388261908 /nfs/dbraw/zinc/26/19/08/388261908.db2.gz WUNXGXQWACEZDU-UHFFFAOYSA-N 1 1 239.359 2.454 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC000246284340 388263201 /nfs/dbraw/zinc/26/32/01/388263201.db2.gz CPFITJSNYBPEOR-VXGBXAGGSA-N 1 1 230.311 2.340 20 30 BEEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C)C1 ZINC000246284340 388263203 /nfs/dbraw/zinc/26/32/03/388263203.db2.gz CPFITJSNYBPEOR-VXGBXAGGSA-N 1 1 230.311 2.340 20 30 BEEDMO C[C@@]12C[N@@H+](CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451367470 388266019 /nfs/dbraw/zinc/26/60/19/388266019.db2.gz KEZLNYNEZZZGTL-VOAKCMCISA-N 1 1 202.301 2.044 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000491037076 388266518 /nfs/dbraw/zinc/26/65/18/388266518.db2.gz BPGDAZVDBITRFP-BDAKNGLRSA-N 1 1 205.223 2.282 20 30 BEEDMO C#CC[N@@H+](CC)Cc1ccc(Cl)cn1 ZINC000491096009 388269544 /nfs/dbraw/zinc/26/95/44/388269544.db2.gz ONYRCRWYQHQDNC-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO C#CC[N@H+](CC)Cc1ccc(Cl)cn1 ZINC000491096009 388269546 /nfs/dbraw/zinc/26/95/46/388269546.db2.gz ONYRCRWYQHQDNC-UHFFFAOYSA-N 1 1 208.692 2.190 20 30 BEEDMO C#CC[N@H+](CC#CC)CC[C@@H](O)c1ccccc1 ZINC000491127279 388271774 /nfs/dbraw/zinc/27/17/74/388271774.db2.gz VZGNEHAKHMMJDW-MRXNPFEDSA-N 1 1 241.334 2.069 20 30 BEEDMO C#CC[N@@H+](CC#CC)CC[C@@H](O)c1ccccc1 ZINC000491127279 388271777 /nfs/dbraw/zinc/27/17/77/388271777.db2.gz VZGNEHAKHMMJDW-MRXNPFEDSA-N 1 1 241.334 2.069 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000491166639 388274401 /nfs/dbraw/zinc/27/44/01/388274401.db2.gz TXGZHEHXCDWORM-ZDUSSCGKSA-N 1 1 223.360 2.271 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000491254288 388280465 /nfs/dbraw/zinc/28/04/65/388280465.db2.gz RUAGAEGZGATSSU-LBPRGKRZSA-N 1 1 231.343 2.452 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000491254288 388280466 /nfs/dbraw/zinc/28/04/66/388280466.db2.gz RUAGAEGZGATSSU-LBPRGKRZSA-N 1 1 231.343 2.452 20 30 BEEDMO CCO[C@@H]1CC[N@@H+](CC2(C#N)CC2)C[C@@H]1C ZINC000451544941 388280714 /nfs/dbraw/zinc/28/07/14/388280714.db2.gz QKYHLFJLNUIDSK-NWDGAFQWSA-N 1 1 222.332 2.037 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]32)nc1 ZINC000593974961 388345765 /nfs/dbraw/zinc/34/57/65/388345765.db2.gz GLWHZUNBUSYUQA-OCCSQVGLSA-N 1 1 227.311 2.328 20 30 BEEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)nc1 ZINC000593974960 388346291 /nfs/dbraw/zinc/34/62/91/388346291.db2.gz GLWHZUNBUSYUQA-JSGCOSHPSA-N 1 1 227.311 2.328 20 30 BEEDMO C[N@@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC000227876217 388372388 /nfs/dbraw/zinc/37/23/88/388372388.db2.gz UAOIXBMJEIFAIQ-UHFFFAOYSA-N 1 1 232.327 2.153 20 30 BEEDMO C[C@H]1COCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595387135 388382761 /nfs/dbraw/zinc/38/27/61/388382761.db2.gz OYADKCZCTJABDR-ZDUSSCGKSA-N 1 1 244.338 2.212 20 30 BEEDMO C[N@@H+](CCc1ccc(C#N)cc1)CC(C)(C)CO ZINC000595514534 388387696 /nfs/dbraw/zinc/38/76/96/388387696.db2.gz COXDGRGIEWBGOO-UHFFFAOYSA-N 1 1 246.354 2.051 20 30 BEEDMO N#Cc1ccccc1NCc1c[nH+]c2n1CCC2 ZINC000596026545 388400799 /nfs/dbraw/zinc/40/07/99/388400799.db2.gz OVHQWNJTSPSDEZ-UHFFFAOYSA-N 1 1 238.294 2.313 20 30 BEEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000520575174 256675520 /nfs/dbraw/zinc/67/55/20/256675520.db2.gz DKRPLOWVVNVXTC-QWHCGFSZSA-N 1 1 209.333 2.454 20 30 BEEDMO C#C[C@H](NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000393785473 388441845 /nfs/dbraw/zinc/44/18/45/388441845.db2.gz XHDNHQCICDORRB-ZDUSSCGKSA-N 1 1 222.376 2.108 20 30 BEEDMO N#CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336390383 388457446 /nfs/dbraw/zinc/45/74/46/388457446.db2.gz NJIDOYKSJFFKBI-GASCZTMLSA-N 1 1 242.322 2.116 20 30 BEEDMO N#CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336390383 388457448 /nfs/dbraw/zinc/45/74/48/388457448.db2.gz NJIDOYKSJFFKBI-GASCZTMLSA-N 1 1 242.322 2.116 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000649244915 388467557 /nfs/dbraw/zinc/46/75/57/388467557.db2.gz NRSSKVNSGKCNGP-CYBMUJFWSA-N 1 1 241.281 2.334 20 30 BEEDMO C#CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000177166502 388476649 /nfs/dbraw/zinc/47/66/49/388476649.db2.gz HKYHVDCJOYZXFX-UHFFFAOYSA-N 1 1 205.223 2.284 20 30 BEEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H](C)S1 ZINC000524756991 388408271 /nfs/dbraw/zinc/40/82/71/388408271.db2.gz AWIFHQZRXPRRCQ-GRYCIOLGSA-N 1 1 237.372 2.256 20 30 BEEDMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H](C)S1 ZINC000524756991 388408272 /nfs/dbraw/zinc/40/82/72/388408272.db2.gz AWIFHQZRXPRRCQ-GRYCIOLGSA-N 1 1 237.372 2.256 20 30 BEEDMO CC#CCn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000295926878 388416113 /nfs/dbraw/zinc/41/61/13/388416113.db2.gz KAYDJMZLPNJATJ-QWRGUYRKSA-N 1 1 202.301 2.277 20 30 BEEDMO COC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000307764389 388425908 /nfs/dbraw/zinc/42/59/08/388425908.db2.gz MGOUYGMPRBEGBG-GFCCVEGCSA-N 1 1 224.348 2.427 20 30 BEEDMO C#CC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175379499 388430325 /nfs/dbraw/zinc/43/03/25/388430325.db2.gz FZRYMTNVHVSBGG-BZNIZROVSA-N 1 1 235.352 2.050 20 30 BEEDMO C#CC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175379499 388430328 /nfs/dbraw/zinc/43/03/28/388430328.db2.gz FZRYMTNVHVSBGG-BZNIZROVSA-N 1 1 235.352 2.050 20 30 BEEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000528511268 388538300 /nfs/dbraw/zinc/53/83/00/388538300.db2.gz FFABYQOYRGXBGF-KGLIPLIRSA-N 1 1 248.370 2.163 20 30 BEEDMO C[N@@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)C#N ZINC000517154330 388539062 /nfs/dbraw/zinc/53/90/62/388539062.db2.gz PPZKDANJPROZLG-VXGBXAGGSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CCCCC[N@@H+]1CCC[C@H](CCO)C1 ZINC000649286689 388542163 /nfs/dbraw/zinc/54/21/63/388542163.db2.gz IWZFCIRPUBATFH-CYBMUJFWSA-N 1 1 211.349 2.437 20 30 BEEDMO CSC[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000135485193 388497698 /nfs/dbraw/zinc/49/76/98/388497698.db2.gz DGIOKEROTXGPPH-NSHDSACASA-N 1 1 244.429 2.461 20 30 BEEDMO C=C(CC)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648924883 388500041 /nfs/dbraw/zinc/50/00/41/388500041.db2.gz JPDGSRVGNHZJPE-LBPRGKRZSA-N 1 1 249.358 2.479 20 30 BEEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343616431 388501352 /nfs/dbraw/zinc/50/13/52/388501352.db2.gz RAEIJMUYNGCDCO-LBPRGKRZSA-N 1 1 227.311 2.487 20 30 BEEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343616431 388501355 /nfs/dbraw/zinc/50/13/55/388501355.db2.gz RAEIJMUYNGCDCO-LBPRGKRZSA-N 1 1 227.311 2.487 20 30 BEEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000347477372 388522979 /nfs/dbraw/zinc/52/29/79/388522979.db2.gz PZKVLZZODHSLMP-CYBMUJFWSA-N 1 1 246.354 2.345 20 30 BEEDMO CC(C)n1cc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000179734688 388529951 /nfs/dbraw/zinc/52/99/51/388529951.db2.gz DFDLGFWIAWVCCQ-UHFFFAOYSA-N 1 1 232.331 2.200 20 30 BEEDMO C[N@H+](Cc1ccc(C#N)s1)CC1CC1 ZINC000122938744 388589985 /nfs/dbraw/zinc/58/99/85/388589985.db2.gz GVIYAHHCEPQIER-UHFFFAOYSA-N 1 1 206.314 2.462 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000185667805 388590399 /nfs/dbraw/zinc/59/03/99/388590399.db2.gz GQFOOKXLENYVOO-OLZOCXBDSA-N 1 1 238.375 2.141 20 30 BEEDMO CC#CCCCC(=O)NCC[N@H+](CC)CCC ZINC000185753176 388590980 /nfs/dbraw/zinc/59/09/80/388590980.db2.gz JLODQNBHRDKNPJ-UHFFFAOYSA-N 1 1 238.375 2.028 20 30 BEEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@H+](CC)CCC ZINC000185753031 388591104 /nfs/dbraw/zinc/59/11/04/388591104.db2.gz GEHYZCGWEMVOAG-CYBMUJFWSA-N 1 1 240.391 2.437 20 30 BEEDMO Cc1n[nH]cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642587 388593249 /nfs/dbraw/zinc/59/32/49/388593249.db2.gz JISSSRGQJBSJRG-UHFFFAOYSA-N 1 1 244.273 2.019 20 30 BEEDMO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000185946635 388594533 /nfs/dbraw/zinc/59/45/33/388594533.db2.gz MPDHVJOIFYCTTR-RWMBFGLXSA-N 1 1 238.375 2.140 20 30 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C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)[C@H]1C ZINC000418124235 388675620 /nfs/dbraw/zinc/67/56/20/388675620.db2.gz MCXSMBUQNWJVFI-WOPDTQHZSA-N 1 1 231.343 2.373 20 30 BEEDMO CC[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246176902 388621706 /nfs/dbraw/zinc/62/17/06/388621706.db2.gz GJUOCSGXAAIJFT-VXGBXAGGSA-N 1 1 205.305 2.162 20 30 BEEDMO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C#N)cc1F ZINC000358576295 388624723 /nfs/dbraw/zinc/62/47/23/388624723.db2.gz TXHZGPRBWPJUCH-QWRGUYRKSA-N 1 1 249.333 2.298 20 30 BEEDMO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000246488836 388639466 /nfs/dbraw/zinc/63/94/66/388639466.db2.gz RUOCIDQGACYFNZ-ZDEQEGDKSA-N 1 1 210.365 2.269 20 30 BEEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CCOCC1 ZINC000061948010 388648058 /nfs/dbraw/zinc/64/80/58/388648058.db2.gz JJRVACLQYXONPC-UHFFFAOYSA-N 1 1 244.338 2.417 20 30 BEEDMO C#CC[N@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000191425409 388663422 /nfs/dbraw/zinc/66/34/22/388663422.db2.gz GHJXNDCWPJLTTO-UHFFFAOYSA-N 1 1 241.338 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411132413 /nfs/dbraw/zinc/13/24/13/411132413.db2.gz XMIIMAOAKFJJAJ-BXUZGUMPSA-N 1 1 248.301 2.237 20 30 BEEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCCO1 ZINC000111250708 411116937 /nfs/dbraw/zinc/11/69/37/411116937.db2.gz UHPRGSPEQXPLOW-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCCO1 ZINC000111250708 411116940 /nfs/dbraw/zinc/11/69/40/411116940.db2.gz UHPRGSPEQXPLOW-LBPRGKRZSA-N 1 1 224.348 2.427 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CCC23CCCC3)nn1 ZINC000653776517 411166255 /nfs/dbraw/zinc/16/62/55/411166255.db2.gz KAGXZZKJJQAJHQ-UHFFFAOYSA-N 1 1 246.358 2.373 20 30 BEEDMO C=CCCn1cc(C[N@H+]2CCC23CCCC3)nn1 ZINC000653776517 411166260 /nfs/dbraw/zinc/16/62/60/411166260.db2.gz KAGXZZKJJQAJHQ-UHFFFAOYSA-N 1 1 246.358 2.373 20 30 BEEDMO C=CCCn1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000656453266 411274859 /nfs/dbraw/zinc/27/48/59/411274859.db2.gz SXNXJJHWKNNIDD-UHFFFAOYSA-N 1 1 242.326 2.144 20 30 BEEDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602479545 411295565 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/nfs/dbraw/zinc/44/63/51/411446351.db2.gz OXEJMILNECIBMY-OCCSQVGLSA-N 1 1 248.374 2.475 20 30 BEEDMO C[N@@H+](CCCO)Cc1ccccc1C(C)(C)C#N ZINC000281832522 411454217 /nfs/dbraw/zinc/45/42/17/411454217.db2.gz MLHBXBOMLQFYQA-UHFFFAOYSA-N 1 1 246.354 2.302 20 30 BEEDMO C=C(C)C[N@@H+](CC)CCO[C@H]1CC1(F)F ZINC000659828463 411467128 /nfs/dbraw/zinc/46/71/28/411467128.db2.gz DXKCGBDXBJRKBN-JTQLQIEISA-N 1 1 219.275 2.309 20 30 BEEDMO C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659839560 411472199 /nfs/dbraw/zinc/47/21/99/411472199.db2.gz WZOWMPQSBICHQA-MGPQQGTHSA-N 1 1 248.370 2.108 20 30 BEEDMO C=CCCC[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000659942623 411505712 /nfs/dbraw/zinc/50/57/12/411505712.db2.gz XLXADXKBHPYMHO-OLZOCXBDSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(C)CC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657479000 411526007 /nfs/dbraw/zinc/52/60/07/411526007.db2.gz GYRMUGQLVJWYSR-UHFFFAOYSA-N 1 1 242.326 2.323 20 30 BEEDMO C=CCC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657582865 411554330 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/nfs/dbraw/zinc/03/24/71/584032471.db2.gz RFHUNUJWHMPYQJ-VIFPVBQESA-N 1 1 248.355 2.433 20 30 BEEDMO C=CCCC[N@H+](CC)Cc1cncnc1 ZINC000898246424 584100619 /nfs/dbraw/zinc/10/06/19/584100619.db2.gz QUHSBLHOLYUDBU-UHFFFAOYSA-N 1 1 205.305 2.265 20 30 BEEDMO C=CC(C)(C)[NH2+]Cc1nnc(C2CC2)s1 ZINC000898460122 584137042 /nfs/dbraw/zinc/13/70/42/584137042.db2.gz CVWLJOJTKGXULT-UHFFFAOYSA-N 1 1 223.345 2.470 20 30 BEEDMO C=C1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000898701024 584150955 /nfs/dbraw/zinc/15/09/55/584150955.db2.gz IKULYRKMAAMSLS-CQSZACIVSA-N 1 1 248.370 2.182 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(CC)nn2)C1 ZINC000899882583 584246648 /nfs/dbraw/zinc/24/66/48/584246648.db2.gz QPALWTUPXZGMFT-LBPRGKRZSA-N 1 1 234.347 2.086 20 30 BEEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(CC)nn2)C1 ZINC000899882582 584246763 /nfs/dbraw/zinc/24/67/63/584246763.db2.gz QPALWTUPXZGMFT-GFCCVEGCSA-N 1 1 234.347 2.086 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899921448 584256770 /nfs/dbraw/zinc/25/67/70/584256770.db2.gz XBPZEYDURSLDPV-KGLIPLIRSA-N 1 1 248.370 2.204 20 30 BEEDMO C=C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900585534 584332007 /nfs/dbraw/zinc/33/20/07/584332007.db2.gz SRZMHOMZFGWCHK-UONOGXRCSA-N 1 1 248.370 2.182 20 30 BEEDMO C=CC[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900742533 584348342 /nfs/dbraw/zinc/34/83/42/584348342.db2.gz ROJAFKNARVMIOF-RWMBFGLXSA-N 1 1 236.359 2.084 20 30 BEEDMO CCNN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000901280973 584414967 /nfs/dbraw/zinc/41/49/67/584414967.db2.gz HLBZQPJHYSNSAS-OAHLLOKOSA-N 1 1 245.370 2.494 20 30 BEEDMO CS[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000901266903 584418516 /nfs/dbraw/zinc/41/85/16/584418516.db2.gz CIYVEEXMDZVXMN-SNVBAGLBSA-N 1 1 209.318 2.393 20 30 BEEDMO C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC000901315534 584428696 /nfs/dbraw/zinc/42/86/96/584428696.db2.gz VTGQNUZSAAPFES-OCCSQVGLSA-N 1 1 248.370 2.180 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(F)c(F)c1 ZINC000901317608 584429250 /nfs/dbraw/zinc/42/92/50/584429250.db2.gz KWEXUEPELNRIFG-QMMMGPOBSA-N 1 1 239.269 2.314 20 30 BEEDMO CCn1cnc(C[NH2+]Cc2cccc(C#N)c2)c1 ZINC000902058834 584521215 /nfs/dbraw/zinc/52/12/15/584521215.db2.gz NSYZWHDLQCQDLV-UHFFFAOYSA-N 1 1 240.310 2.064 20 30 BEEDMO Cc1cn(CCCc2c[nH+]cn2C)cc1C#N ZINC000902294739 584549244 /nfs/dbraw/zinc/54/92/44/584549244.db2.gz YAAQAUZWDCGGOU-UHFFFAOYSA-N 1 1 228.299 2.035 20 30 BEEDMO C=CC[C@H](C)[C@H](C)N[C@H]1C[NH2+]CC1(C)C ZINC000902448381 584605701 /nfs/dbraw/zinc/60/57/01/584605701.db2.gz DYABFJGPVLIMOA-SRVKXCTJSA-N 1 1 210.365 2.175 20 30 BEEDMO C=CC[C@H](C)[C@@H](C)N[C@@H]1C[NH2+]CC1(C)C ZINC000902448379 584605894 /nfs/dbraw/zinc/60/58/94/584605894.db2.gz DYABFJGPVLIMOA-QJPTWQEYSA-N 1 1 210.365 2.175 20 30 BEEDMO C=CCCC[N@H+](CC)CN1CC[C@@H](C)C1=O ZINC000902669494 584654286 /nfs/dbraw/zinc/65/42/86/584654286.db2.gz NHWRYQQUILLVRI-GFCCVEGCSA-N 1 1 224.348 2.100 20 30 BEEDMO C=C(Cl)CO[NH+]=C(N)CC1(CC)COC1 ZINC000902870964 584684067 /nfs/dbraw/zinc/68/40/67/584684067.db2.gz XGWIURPTKGPWMZ-UHFFFAOYSA-N 1 1 232.711 2.054 20 30 BEEDMO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031133 584717851 /nfs/dbraw/zinc/71/78/51/584717851.db2.gz IVMUDSUYTQZHAD-SECBINFHSA-N 1 1 218.304 2.063 20 30 BEEDMO Cc1n[nH]cc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031135 584717986 /nfs/dbraw/zinc/71/79/86/584717986.db2.gz IVMUDSUYTQZHAD-VIFPVBQESA-N 1 1 218.304 2.063 20 30 BEEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1(Cl)CC1 ZINC000903264267 584740848 /nfs/dbraw/zinc/74/08/48/584740848.db2.gz RRLACDRKZBFQGT-SSDOTTSWSA-N 1 1 241.747 2.264 20 30 BEEDMO C[NH2+]C[C@H]1CCCN1CC1CCC(C#N)CC1 ZINC000903424752 584765074 /nfs/dbraw/zinc/76/50/74/584765074.db2.gz DWZILVUKSYWAHL-JXQTWKCFSA-N 1 1 235.375 2.000 20 30 BEEDMO CCC[C@H]1CNCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903447275 584770656 /nfs/dbraw/zinc/77/06/56/584770656.db2.gz MFEYAJCXYZCUQS-NRXISQOPSA-N 1 1 249.402 2.390 20 30 BEEDMO CCC[C@H]1C[NH2+]CCN1CC1CCC(C#N)CC1 ZINC000903447275 584770658 /nfs/dbraw/zinc/77/06/58/584770658.db2.gz MFEYAJCXYZCUQS-NRXISQOPSA-N 1 1 249.402 2.390 20 30 BEEDMO C=CCCCN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485414 584779679 /nfs/dbraw/zinc/77/96/79/584779679.db2.gz NMJFTWGENQISTI-LBPRGKRZSA-N 1 1 208.349 2.217 20 30 BEEDMO N#C[C@H]1CCCN(CCCC2CC[NH2+]CC2)C1 ZINC000903564203 584782412 /nfs/dbraw/zinc/78/24/12/584782412.db2.gz QGRDSEPAVSRFLN-CQSZACIVSA-N 1 1 235.375 2.002 20 30 BEEDMO C[C@H](CN)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903716932 584792577 /nfs/dbraw/zinc/79/25/77/584792577.db2.gz VVNSSGOCUZXNSL-GFCCVEGCSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@H](C[NH3+])N(C)CCCCC1(C#N)CCC1 ZINC000903716932 584792578 /nfs/dbraw/zinc/79/25/78/584792578.db2.gz VVNSSGOCUZXNSL-GFCCVEGCSA-N 1 1 223.364 2.130 20 30 BEEDMO N#CC1(CCCC[NH2+]CC2(N)CCC2)CCC1 ZINC000903743340 584796902 /nfs/dbraw/zinc/79/69/02/584796902.db2.gz IRRBFYPXRAKJDL-UHFFFAOYSA-N 1 1 235.375 2.322 20 30 BEEDMO C=CC[N@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903812160 584803369 /nfs/dbraw/zinc/80/33/69/584803369.db2.gz RHIQWZHAWYNJRA-GFCCVEGCSA-N 1 1 208.349 2.156 20 30 BEEDMO C=CC[N@@H+]1CCCC[C@@H]1C1(CN)CCC1 ZINC000903812160 584803370 /nfs/dbraw/zinc/80/33/70/584803370.db2.gz RHIQWZHAWYNJRA-GFCCVEGCSA-N 1 1 208.349 2.156 20 30 BEEDMO CCCCCCC[N@@H+]1CCNC[C@H]1CCOC ZINC000903832916 584806368 /nfs/dbraw/zinc/80/63/68/584806368.db2.gz SUYMOHUKFWDAEN-CQSZACIVSA-N 1 1 242.407 2.267 20 30 BEEDMO CCCCCCC[N@H+]1CCNC[C@H]1CCOC ZINC000903832916 584806370 /nfs/dbraw/zinc/80/63/70/584806370.db2.gz SUYMOHUKFWDAEN-CQSZACIVSA-N 1 1 242.407 2.267 20 30 BEEDMO CCCCCCCC[N@@H+]1CCNC[C@H]1COC ZINC000903876374 584816696 /nfs/dbraw/zinc/81/66/96/584816696.db2.gz XPOPYWSWHJZJCA-AWEZNQCLSA-N 1 1 242.407 2.267 20 30 BEEDMO CCCCCCCC[N@H+]1CCNC[C@H]1COC ZINC000903876374 584816697 /nfs/dbraw/zinc/81/66/97/584816697.db2.gz XPOPYWSWHJZJCA-AWEZNQCLSA-N 1 1 242.407 2.267 20 30 BEEDMO C=CCC(C)(C)c1noc(C[C@@H]2CC[N@H+](C)C2)n1 ZINC000904079112 584840135 /nfs/dbraw/zinc/84/01/35/584840135.db2.gz CCGDHSNKVXDGBM-NSHDSACASA-N 1 1 249.358 2.418 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(CC)o2)C1 ZINC000829784299 584907713 /nfs/dbraw/zinc/90/77/13/584907713.db2.gz IJTJGOTXHSZUCY-VXGBXAGGSA-N 1 1 247.342 2.428 20 30 BEEDMO COCC#CC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000762917675 584917875 /nfs/dbraw/zinc/91/78/75/584917875.db2.gz MYJAEUVHILBQAT-CYBMUJFWSA-N 1 1 229.323 2.256 20 30 BEEDMO C=CCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000735490832 584978010 /nfs/dbraw/zinc/97/80/10/584978010.db2.gz RXZZMAMCCLCHDO-GFCCVEGCSA-N 1 1 225.332 2.180 20 30 BEEDMO C=CCCC[N@@H+](C)CN1CCSC1=O ZINC000736581978 585006799 /nfs/dbraw/zinc/00/67/99/585006799.db2.gz DUFNJMPAUZCXEV-UHFFFAOYSA-N 1 1 214.334 2.011 20 30 BEEDMO C=CCCC[N@H+](C)CN1CCSC1=O ZINC000736581978 585006800 /nfs/dbraw/zinc/00/68/00/585006800.db2.gz DUFNJMPAUZCXEV-UHFFFAOYSA-N 1 1 214.334 2.011 20 30 BEEDMO C=CC[N@@H+](CCN1CCCCC1)C(C)C ZINC000736946118 585019869 /nfs/dbraw/zinc/01/98/69/585019869.db2.gz LGWQJCGJODZHFR-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C=CC[N@H+](CCN1CCCCC1)C(C)C ZINC000736946118 585019870 /nfs/dbraw/zinc/01/98/70/585019870.db2.gz LGWQJCGJODZHFR-UHFFFAOYSA-N 1 1 210.365 2.369 20 30 BEEDMO C#CC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000738339070 585043496 /nfs/dbraw/zinc/04/34/96/585043496.db2.gz IIVXSKVTFVSUJL-SNVBAGLBSA-N 1 1 203.260 2.378 20 30 BEEDMO C#CC[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000738339070 585043497 /nfs/dbraw/zinc/04/34/97/585043497.db2.gz IIVXSKVTFVSUJL-SNVBAGLBSA-N 1 1 203.260 2.378 20 30 BEEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)C1CC1 ZINC000838786360 585070171 /nfs/dbraw/zinc/07/01/71/585070171.db2.gz FDKTVZZAJWVMTI-OAHLLOKOSA-N 1 1 231.339 2.446 20 30 BEEDMO C=CCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000739915504 585085559 /nfs/dbraw/zinc/08/55/59/585085559.db2.gz PVNIIEJYYCUJAQ-ZDUSSCGKSA-N 1 1 236.359 2.039 20 30 BEEDMO C#CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C1CC1)C(=O)OC ZINC000839170190 585095934 /nfs/dbraw/zinc/09/59/34/585095934.db2.gz YVRHJACSWOUXPA-MJBXVCDLSA-N 1 1 249.354 2.110 20 30 BEEDMO C#CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C1CC1)C(=O)OC ZINC000839170192 585096191 /nfs/dbraw/zinc/09/61/91/585096191.db2.gz YVRHJACSWOUXPA-RDBSUJKOSA-N 1 1 249.354 2.110 20 30 BEEDMO C#Cc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1 ZINC000839190596 585097405 /nfs/dbraw/zinc/09/74/05/585097405.db2.gz ILTLZQGWJGDXQF-GFCCVEGCSA-N 1 1 239.322 2.252 20 30 BEEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000839190597 585097553 /nfs/dbraw/zinc/09/75/53/585097553.db2.gz ILTLZQGWJGDXQF-LBPRGKRZSA-N 1 1 239.322 2.252 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](CO)C(=C)C ZINC000839471588 585105023 /nfs/dbraw/zinc/10/50/23/585105023.db2.gz YGIPHEWZNMRJJU-HNNXBMFYSA-N 1 1 247.313 2.198 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](CO)C(=C)C ZINC000839471590 585105080 /nfs/dbraw/zinc/10/50/80/585105080.db2.gz YGIPHEWZNMRJJU-OAHLLOKOSA-N 1 1 247.313 2.198 20 30 BEEDMO C=C(Cl)COC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000741013500 585108927 /nfs/dbraw/zinc/10/89/27/585108927.db2.gz BYVUBPJLJKNNIU-NSHDSACASA-N 1 1 245.750 2.403 20 30 BEEDMO C=CCCOC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741019587 585109058 /nfs/dbraw/zinc/10/90/58/585109058.db2.gz WHWDOXJPNJWMGI-TUAOUCFPSA-N 1 1 225.332 2.367 20 30 BEEDMO C[C@@H](C(=O)OCCCC#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741015451 585109094 /nfs/dbraw/zinc/10/90/94/585109094.db2.gz BKDSIYWICQJKJL-TUAOUCFPSA-N 1 1 238.331 2.095 20 30 BEEDMO C=C(C)COC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000741018466 585109650 /nfs/dbraw/zinc/10/96/50/585109650.db2.gz GEXDYEZQHIAEFX-GRYCIOLGSA-N 1 1 225.332 2.367 20 30 BEEDMO C[C@@H]1CC(=NNCc2cccc(F)c2)CC[N@H+]1C ZINC000741460321 585114382 /nfs/dbraw/zinc/11/43/82/585114382.db2.gz NHINKCICBTYVCF-LLVKDONJSA-N 1 1 249.333 2.385 20 30 BEEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000886365493 585134944 /nfs/dbraw/zinc/13/49/44/585134944.db2.gz JRQXFMIRTBZUKA-KGLIPLIRSA-N 1 1 233.355 2.291 20 30 BEEDMO C#CC[N@@H+](CC)CCOCc1ccc(OC)cc1 ZINC000746457580 585168361 /nfs/dbraw/zinc/16/83/61/585168361.db2.gz JUEBBXZIIFIZDY-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C[C@@H]1CC(=NOCc2cccnc2)CC[N@H+]1C ZINC000746589035 585170547 /nfs/dbraw/zinc/17/05/47/585170547.db2.gz YKEYCDZNBYWRIC-LLVKDONJSA-N 1 1 233.315 2.068 20 30 BEEDMO C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000747735543 585182864 /nfs/dbraw/zinc/18/28/64/585182864.db2.gz AWTKXBWIMJJRDM-RYUDHWBXSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@H]1CC(C)(C)CCC1=NN1CC[NH+](C)CC1 ZINC000748247923 585190014 /nfs/dbraw/zinc/19/00/14/585190014.db2.gz ZBTSGHHPJXZKSG-LBPRGKRZSA-N 1 1 237.391 2.436 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749562704 585203754 /nfs/dbraw/zinc/20/37/54/585203754.db2.gz RPROSOURNDYJDP-NWDGAFQWSA-N 1 1 229.751 2.487 20 30 BEEDMO Cc1cc(F)ccc1N=NC1C[N@H+](C)C[C@@H]1C ZINC000750938740 585222485 /nfs/dbraw/zinc/22/24/85/585222485.db2.gz NJXCAPXOPFPLKY-JTQLQIEISA-N 1 1 235.306 2.484 20 30 BEEDMO C[NH+]1CCN(N=Cc2ccccc2C2CC2)CC1 ZINC000751126752 585224581 /nfs/dbraw/zinc/22/45/81/585224581.db2.gz DAHRZVZQDWGMJV-UHFFFAOYSA-N 1 1 243.354 2.145 20 30 BEEDMO CON=C1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000751526474 585231759 /nfs/dbraw/zinc/23/17/59/585231759.db2.gz KPTJKFXFBWERSI-LLVKDONJSA-N 1 1 218.300 2.141 20 30 BEEDMO C#CC[NH+](CC#C)CCOc1cc(C)ccc1C ZINC000752076624 585241683 /nfs/dbraw/zinc/24/16/83/585241683.db2.gz KMCLVMKYMGEOOW-UHFFFAOYSA-N 1 1 241.334 2.251 20 30 BEEDMO C#CC[NH+](CC#C)Cc1cc(C)ccc1C ZINC000752076566 585241713 /nfs/dbraw/zinc/24/17/13/585241713.db2.gz HFJKDJVJLPVZDM-UHFFFAOYSA-N 1 1 211.308 2.372 20 30 BEEDMO COC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000752090499 585241938 /nfs/dbraw/zinc/24/19/38/585241938.db2.gz ZWLWORYHUIXOBN-CQSZACIVSA-N 1 1 248.301 2.308 20 30 BEEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000752090499 585241939 /nfs/dbraw/zinc/24/19/39/585241939.db2.gz ZWLWORYHUIXOBN-CQSZACIVSA-N 1 1 248.301 2.308 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccccc1 ZINC000752157418 585243077 /nfs/dbraw/zinc/24/30/77/585243077.db2.gz NTIKLGCBYUDNOJ-SNVBAGLBSA-N 1 1 203.289 2.036 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccccc1F ZINC000752161427 585243252 /nfs/dbraw/zinc/24/32/52/585243252.db2.gz SHYIRQRAKQBYMZ-SECBINFHSA-N 1 1 221.279 2.175 20 30 BEEDMO C[NH+]1CCN(N=C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000752713042 585248969 /nfs/dbraw/zinc/24/89/69/585248969.db2.gz JPXHMGXLHZZIBQ-CYBMUJFWSA-N 1 1 237.391 2.436 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccccn2)C[N@H+]1C1CC1 ZINC000753954705 585273331 /nfs/dbraw/zinc/27/33/31/585273331.db2.gz FXPZDLLYEKEHIJ-SNVBAGLBSA-N 1 1 230.315 2.106 20 30 BEEDMO C[C@H]1CC(N=Nc2ccc(F)cn2)C[N@H+]1C1CC1 ZINC000753960778 585273753 /nfs/dbraw/zinc/27/37/53/585273753.db2.gz VMAHNBACHOHWSM-VIFPVBQESA-N 1 1 248.305 2.245 20 30 BEEDMO Cc1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)nc1 ZINC000753960889 585273763 /nfs/dbraw/zinc/27/37/63/585273763.db2.gz XEEXQVVRPDTKOF-LLVKDONJSA-N 1 1 244.342 2.415 20 30 BEEDMO COc1cc(C)cc(C[N@H+](C)C[C@@H](C)C#N)c1O ZINC000754722075 585289979 /nfs/dbraw/zinc/28/99/79/585289979.db2.gz BLDUTILBIAJJPU-NSHDSACASA-N 1 1 248.326 2.301 20 30 BEEDMO COc1cc(C)cc(C[N@@H+](C)C[C@@H](C)C#N)c1O ZINC000754722075 585289980 /nfs/dbraw/zinc/28/99/80/585289980.db2.gz BLDUTILBIAJJPU-NSHDSACASA-N 1 1 248.326 2.301 20 30 BEEDMO C#Cc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000809644894 585298577 /nfs/dbraw/zinc/29/85/77/585298577.db2.gz YLAMVTRJBUAZKA-UONOGXRCSA-N 1 1 242.366 2.192 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000809644894 585298578 /nfs/dbraw/zinc/29/85/78/585298578.db2.gz YLAMVTRJBUAZKA-UONOGXRCSA-N 1 1 242.366 2.192 20 30 BEEDMO C#Cc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000809644894 585298579 /nfs/dbraw/zinc/29/85/79/585298579.db2.gz YLAMVTRJBUAZKA-UONOGXRCSA-N 1 1 242.366 2.192 20 30 BEEDMO CC(C)[N@@H+]1CC(=NO[C@H]2CCCCO2)[C@H](C)C1 ZINC000755821142 585308180 /nfs/dbraw/zinc/30/81/80/585308180.db2.gz BLXMJUJTCWYJJQ-YPMHNXCESA-N 1 1 240.347 2.246 20 30 BEEDMO Cc1ccnc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000755901667 585309696 /nfs/dbraw/zinc/30/96/96/585309696.db2.gz XLWXQFGRJFUDPT-LLVKDONJSA-N 1 1 244.342 2.415 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C(\C)CCC ZINC000756552867 585320823 /nfs/dbraw/zinc/32/08/23/585320823.db2.gz LNGDAELKWHHEAH-YPDDLIOESA-N 1 1 249.354 2.374 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](C)C1CC1 ZINC000756556218 585320904 /nfs/dbraw/zinc/32/09/04/585320904.db2.gz SUMJAYRRIRIPJH-OCCSQVGLSA-N 1 1 249.354 2.063 20 30 BEEDMO C=C(Cl)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000839546827 585330348 /nfs/dbraw/zinc/33/03/48/585330348.db2.gz CJPZPIJNQGOCFX-NSHDSACASA-N 1 1 229.682 2.201 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000839615515 585332216 /nfs/dbraw/zinc/33/22/16/585332216.db2.gz VPWQLWJCLZGEPK-SNVBAGLBSA-N 1 1 219.756 2.468 20 30 BEEDMO CC#CC[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000839614645 585332392 /nfs/dbraw/zinc/33/23/92/585332392.db2.gz QFJPDRGKDIYXIL-UHFFFAOYSA-N 1 1 222.719 2.499 20 30 BEEDMO CC#CC[N@@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000839614645 585332393 /nfs/dbraw/zinc/33/23/93/585332393.db2.gz QFJPDRGKDIYXIL-UHFFFAOYSA-N 1 1 222.719 2.499 20 30 BEEDMO C[C@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000839609344 585332981 /nfs/dbraw/zinc/33/29/81/585332981.db2.gz LDHYSGZUTWFZOM-ZIAGYGMSSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000839609344 585332982 /nfs/dbraw/zinc/33/29/82/585332982.db2.gz LDHYSGZUTWFZOM-ZIAGYGMSSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000839609341 585333053 /nfs/dbraw/zinc/33/30/53/585333053.db2.gz LDHYSGZUTWFZOM-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000839609341 585333054 /nfs/dbraw/zinc/33/30/54/585333054.db2.gz LDHYSGZUTWFZOM-KBPBESRZSA-N 1 1 235.375 2.096 20 30 BEEDMO C#CCC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632468 585333169 /nfs/dbraw/zinc/33/31/69/585333169.db2.gz VKXDWICRJUSRPC-NSHDSACASA-N 1 1 237.343 2.204 20 30 BEEDMO C#CCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000839632468 585333170 /nfs/dbraw/zinc/33/31/70/585333170.db2.gz VKXDWICRJUSRPC-NSHDSACASA-N 1 1 237.343 2.204 20 30 BEEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1occc1C ZINC000839663958 585334667 /nfs/dbraw/zinc/33/46/67/585334667.db2.gz VZXJNVKAVDLQJC-LBPRGKRZSA-N 1 1 236.315 2.339 20 30 BEEDMO C[C@H]1C[N@@H+](C)CC1=NOCc1ccc(F)cc1 ZINC000758143152 585350599 /nfs/dbraw/zinc/35/05/99/585350599.db2.gz FEZGZTAUYPTKNI-JTQLQIEISA-N 1 1 236.290 2.280 20 30 BEEDMO Cc1[nH+]c(C=NOCC(F)F)c2ccccn12 ZINC000758902101 585362067 /nfs/dbraw/zinc/36/20/67/585362067.db2.gz BSQCNFCWRBHANN-UHFFFAOYSA-N 1 1 239.225 2.258 20 30 BEEDMO Cc1ccc(F)c(N=NC2C[N@H+](C)C[C@H]2C)c1 ZINC000759663355 585378299 /nfs/dbraw/zinc/37/82/99/585378299.db2.gz CRFNIFPSMJMNTA-SNVBAGLBSA-N 1 1 235.306 2.484 20 30 BEEDMO C#CCC[N@H+](CCOC)Cc1cccc(OC)c1 ZINC000760819327 585397872 /nfs/dbraw/zinc/39/78/72/585397872.db2.gz JAYVPZWBCBNQLD-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C#CC[N@H+](CCN1CCCC1)C1CCCCC1 ZINC000760820010 585398025 /nfs/dbraw/zinc/39/80/25/585398025.db2.gz NEIQPKVLUVMKHE-UHFFFAOYSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CC[N@@H+](CCN1CCCC1)C1CCCCC1 ZINC000760820010 585398026 /nfs/dbraw/zinc/39/80/26/585398026.db2.gz NEIQPKVLUVMKHE-UHFFFAOYSA-N 1 1 234.387 2.350 20 30 BEEDMO C#CCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000760835059 585398875 /nfs/dbraw/zinc/39/88/75/585398875.db2.gz VYHLSMDMBHWKAE-UHFFFAOYSA-N 1 1 239.322 2.435 20 30 BEEDMO C#CCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000760835059 585398876 /nfs/dbraw/zinc/39/88/76/585398876.db2.gz VYHLSMDMBHWKAE-UHFFFAOYSA-N 1 1 239.322 2.435 20 30 BEEDMO C#CCC[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000760842027 585399127 /nfs/dbraw/zinc/39/91/27/585399127.db2.gz UQEZFOLKTOGGPI-WCQYABFASA-N 1 1 209.333 2.145 20 30 BEEDMO C#CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000760843517 585399324 /nfs/dbraw/zinc/39/93/24/585399324.db2.gz LATXZTZNYCNNII-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C#CCC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000760888106 585401244 /nfs/dbraw/zinc/40/12/44/585401244.db2.gz VCNVYSISAWFDRQ-GFCCVEGCSA-N 1 1 237.343 2.206 20 30 BEEDMO C#CCC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000760888106 585401245 /nfs/dbraw/zinc/40/12/45/585401245.db2.gz VCNVYSISAWFDRQ-GFCCVEGCSA-N 1 1 237.343 2.206 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000760887563 585401420 /nfs/dbraw/zinc/40/14/20/585401420.db2.gz RNELMGJQKRESPG-ZDUSSCGKSA-N 1 1 237.343 2.065 20 30 BEEDMO C#CCOCC[N@H+](C)Cc1ccccc1C ZINC000761107864 585409818 /nfs/dbraw/zinc/40/98/18/585409818.db2.gz IWAOXXHZAPSRJA-UHFFFAOYSA-N 1 1 217.312 2.077 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccc(F)cc2)C[N@H+]1C ZINC000761794073 585418750 /nfs/dbraw/zinc/41/87/50/585418750.db2.gz RQNVZQCVVRQSKK-SECBINFHSA-N 1 1 221.279 2.318 20 30 BEEDMO CC(=NN1CC[NH+](C)CC1)c1cc(C)ccc1F ZINC000763337036 585446656 /nfs/dbraw/zinc/44/66/56/585446656.db2.gz BYFNWKJYEYYSOE-UHFFFAOYSA-N 1 1 249.333 2.106 20 30 BEEDMO C=CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000763396756 585447571 /nfs/dbraw/zinc/44/75/71/585447571.db2.gz FBKBRXFGPOFZOC-HNNXBMFYSA-N 1 1 244.338 2.488 20 30 BEEDMO CC(C)[C@@H]1CCCCC1=NN1CC[NH+](C)CC1 ZINC000764649618 585470065 /nfs/dbraw/zinc/47/00/65/585470065.db2.gz QYKQNIWFHCXLPV-ZDUSSCGKSA-N 1 1 237.391 2.436 20 30 BEEDMO Nc1ncccc1C=[NH+]OCc1ccccc1 ZINC000764675697 585470561 /nfs/dbraw/zinc/47/05/61/585470561.db2.gz GUIRBDXDVQBUGW-UHFFFAOYSA-N 1 1 227.267 2.215 20 30 BEEDMO C[C@@H]1CC(=NNCCc2ccccc2F)C[N@@H+]1C ZINC000764721068 585471877 /nfs/dbraw/zinc/47/18/77/585471877.db2.gz HOOBTLOJWFCDEB-LLVKDONJSA-N 1 1 249.333 2.038 20 30 BEEDMO C[C@@H]1CC(=NNCCc2ccccc2F)C[N@H+]1C ZINC000764721068 585471878 /nfs/dbraw/zinc/47/18/78/585471878.db2.gz HOOBTLOJWFCDEB-LLVKDONJSA-N 1 1 249.333 2.038 20 30 BEEDMO CC[N@H+]1CCC(=NOCC(F)(F)F)[C@@H](C)C1 ZINC000764845306 585475660 /nfs/dbraw/zinc/47/56/60/585475660.db2.gz SKYPFYIVERZDAH-QMMMGPOBSA-N 1 1 238.253 2.283 20 30 BEEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765549465 585489663 /nfs/dbraw/zinc/48/96/63/585489663.db2.gz WDGSGERHBSJSSX-CYBMUJFWSA-N 1 1 233.290 2.462 20 30 BEEDMO Fc1cccc(CNN=C2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765573860 585489906 /nfs/dbraw/zinc/48/99/06/585489906.db2.gz VHXKXKSTGCHRPQ-AWEZNQCLSA-N 1 1 247.317 2.139 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000766664004 585504793 /nfs/dbraw/zinc/50/47/93/585504793.db2.gz QBPPJJKRKFSVNY-GFCCVEGCSA-N 1 1 217.312 2.463 20 30 BEEDMO C#CCCCO[NH+]=C(N)Cc1ccccc1C ZINC000766750015 585508242 /nfs/dbraw/zinc/50/82/42/585508242.db2.gz KMRSGLKZVYZEEW-UHFFFAOYSA-N 1 1 230.311 2.449 20 30 BEEDMO C#CC[N@H+](C[C@@H](C)CO)[C@@H]1CCc2ccccc21 ZINC000766896078 585509840 /nfs/dbraw/zinc/50/98/40/585509840.db2.gz PBONUXPGLYMVOU-CZUORRHYSA-N 1 1 243.350 2.238 20 30 BEEDMO C#CCCC[N@H+](C)Cc1c(C)noc1C ZINC000766896232 585509979 /nfs/dbraw/zinc/50/99/79/585509979.db2.gz YCXYJMSUIYCVHP-UHFFFAOYSA-N 1 1 206.289 2.137 20 30 BEEDMO C#CCCC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000766903086 585510601 /nfs/dbraw/zinc/51/06/01/585510601.db2.gz PESDDQPQHYPPOU-AWEZNQCLSA-N 1 1 222.376 2.206 20 30 BEEDMO C#CCCC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000766903086 585510602 /nfs/dbraw/zinc/51/06/02/585510602.db2.gz PESDDQPQHYPPOU-AWEZNQCLSA-N 1 1 222.376 2.206 20 30 BEEDMO C#CCCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000766905430 585511080 /nfs/dbraw/zinc/51/10/80/585511080.db2.gz LWFYLSHKIBGLKM-CYBMUJFWSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000766905430 585511081 /nfs/dbraw/zinc/51/10/81/585511081.db2.gz LWFYLSHKIBGLKM-CYBMUJFWSA-N 1 1 219.284 2.066 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000766933043 585512239 /nfs/dbraw/zinc/51/22/39/585512239.db2.gz UBGKOAAYERKTLD-UONOGXRCSA-N 1 1 221.344 2.148 20 30 BEEDMO CC(C)C[N@H+](CCC#N)CCC(=O)C1CC1 ZINC000767405751 585519393 /nfs/dbraw/zinc/51/93/93/585519393.db2.gz UPDLXZXYXCDQRB-UHFFFAOYSA-N 1 1 222.332 2.227 20 30 BEEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)C1CC1 ZINC000767405751 585519394 /nfs/dbraw/zinc/51/93/94/585519394.db2.gz UPDLXZXYXCDQRB-UHFFFAOYSA-N 1 1 222.332 2.227 20 30 BEEDMO C#CC[NH+](CC#C)Cc1cccc(C)c1C ZINC000769440836 585556280 /nfs/dbraw/zinc/55/62/80/585556280.db2.gz BIYWBDPMNKIFRJ-UHFFFAOYSA-N 1 1 211.308 2.372 20 30 BEEDMO COC[C@H](C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000769534209 585559073 /nfs/dbraw/zinc/55/90/73/585559073.db2.gz SPCYTWHUYIUIGQ-SNVBAGLBSA-N 1 1 238.356 2.334 20 30 BEEDMO CC[C@H]1C[C@@H](C)CCC1=NN1CC[NH+](C)CC1 ZINC000769568286 585559902 /nfs/dbraw/zinc/55/99/02/585559902.db2.gz YCWKMECABKHXFO-STQMWFEESA-N 1 1 237.391 2.436 20 30 BEEDMO C=CC[C@H]1[N@H+](CC2OCCO2)CCCC1(C)C ZINC000769953411 585567074 /nfs/dbraw/zinc/56/70/74/585567074.db2.gz LWQZZSSGDKXORU-GFCCVEGCSA-N 1 1 239.359 2.426 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCOc1cccc(C)c1 ZINC000769961163 585567579 /nfs/dbraw/zinc/56/75/79/585567579.db2.gz PCNWMUZWBBMEGX-ZDUSSCGKSA-N 1 1 217.312 2.327 20 30 BEEDMO CCCCCCCC[N@@H+]1CCn2ncnc2C1 ZINC000770685363 585579746 /nfs/dbraw/zinc/57/97/46/585579746.db2.gz IXPQAPWJVJYIFI-UHFFFAOYSA-N 1 1 236.363 2.454 20 30 BEEDMO CCCCCCCC[N@H+]1CCn2ncnc2C1 ZINC000770685363 585579747 /nfs/dbraw/zinc/57/97/47/585579747.db2.gz IXPQAPWJVJYIFI-UHFFFAOYSA-N 1 1 236.363 2.454 20 30 BEEDMO C=CC[N@@H+](CN1C[C@H](C(C)C)CC1=O)C1CC1 ZINC000771642184 585598168 /nfs/dbraw/zinc/59/81/68/585598168.db2.gz ORXCDOOQDBMBQU-GFCCVEGCSA-N 1 1 236.359 2.099 20 30 BEEDMO C=CC[N@H+](CN1C[C@H](C(C)C)CC1=O)C1CC1 ZINC000771642184 585598169 /nfs/dbraw/zinc/59/81/69/585598169.db2.gz ORXCDOOQDBMBQU-GFCCVEGCSA-N 1 1 236.359 2.099 20 30 BEEDMO CC(C)c1nccnc1N=NC1C[C@H](C)[N@@H+](C)C1 ZINC000773089861 585631309 /nfs/dbraw/zinc/63/13/09/585631309.db2.gz BYHCBFPZIUKZSN-JTQLQIEISA-N 1 1 247.346 2.092 20 30 BEEDMO CC(C)C1(O)C[NH+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000773891278 585646050 /nfs/dbraw/zinc/64/60/50/585646050.db2.gz SVDZTQYJSZTILL-GFCCVEGCSA-N 1 1 244.338 2.322 20 30 BEEDMO CCC(CC)CNN=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000774477778 585660059 /nfs/dbraw/zinc/66/00/59/585660059.db2.gz YOQONTZCDLFBOP-LLVKDONJSA-N 1 1 237.391 2.482 20 30 BEEDMO CCC(CC)CNN=C1C[N@H+](C2CC2)C[C@H]1C ZINC000774477778 585660060 /nfs/dbraw/zinc/66/00/60/585660060.db2.gz YOQONTZCDLFBOP-LLVKDONJSA-N 1 1 237.391 2.482 20 30 BEEDMO COCC#CC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000774862760 585667891 /nfs/dbraw/zinc/66/78/91/585667891.db2.gz FEYFOYLWCBDNBS-JTQLQIEISA-N 1 1 239.265 2.265 20 30 BEEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774911237 585668991 /nfs/dbraw/zinc/66/89/91/585668991.db2.gz XKADBCRWPMLYSM-DGCLKSJQSA-N 1 1 220.316 2.303 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCC=CO1)C1CC1 ZINC000774911237 585668992 /nfs/dbraw/zinc/66/89/92/585668992.db2.gz XKADBCRWPMLYSM-DGCLKSJQSA-N 1 1 220.316 2.303 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1ccccc1F)[C@H]1CCCO1 ZINC000775341679 585676342 /nfs/dbraw/zinc/67/63/42/585676342.db2.gz MYPMRMSEVWEQBR-ZIAGYGMSSA-N 1 1 233.286 2.096 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1ccc(CC)o1)[C@H]1CCCO1 ZINC000775351209 585676482 /nfs/dbraw/zinc/67/64/82/585676482.db2.gz SGKBOZKULPZTSI-ZIAGYGMSSA-N 1 1 233.311 2.112 20 30 BEEDMO C#C[C@H]([NH2+]Cc1ccc(CC)o1)[C@@H]1CCCO1 ZINC000775351201 585676588 /nfs/dbraw/zinc/67/65/88/585676588.db2.gz SGKBOZKULPZTSI-KBPBESRZSA-N 1 1 233.311 2.112 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(C)o1)[C@H]1CCCO1 ZINC000775572620 585680828 /nfs/dbraw/zinc/68/08/28/585680828.db2.gz SLSTXLGTAQCPFX-MBNYWOFBSA-N 1 1 233.311 2.419 20 30 BEEDMO FC(F)(F)CCON=C1CC[N@H+]2CCC[C@H]12 ZINC000777455927 585712606 /nfs/dbraw/zinc/71/26/06/585712606.db2.gz OXEQACZSJFGDKX-SECBINFHSA-N 1 1 236.237 2.180 20 30 BEEDMO C[C@H]1CC(=NOCCC(F)(F)F)CC[N@H+]1C ZINC000777457897 585712966 /nfs/dbraw/zinc/71/29/66/585712966.db2.gz BHBOINCHLZRWAA-QMMMGPOBSA-N 1 1 238.253 2.426 20 30 BEEDMO C[C@H]1CC(=NOCCC(F)(F)F)C[N@H+]1C ZINC000777460421 585713193 /nfs/dbraw/zinc/71/31/93/585713193.db2.gz OWMGBNJXDYZLAY-ZETCQYMHSA-N 1 1 224.226 2.035 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777736029 585719271 /nfs/dbraw/zinc/71/92/71/585719271.db2.gz AVWFYZHCGQPZHM-OAHLLOKOSA-N 1 1 247.313 2.132 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(O)c(C)c1 ZINC000779807269 585765465 /nfs/dbraw/zinc/76/54/65/585765465.db2.gz QNNUXTSUJDBKDU-UHFFFAOYSA-N 1 1 241.294 2.354 20 30 BEEDMO Cc1nc(C)c(C=NNc2cc[nH+]cc2)s1 ZINC000779808829 585765966 /nfs/dbraw/zinc/76/59/66/585765966.db2.gz AZPFRVYXKYZWQB-UHFFFAOYSA-N 1 1 232.312 2.023 20 30 BEEDMO COCc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779810489 585766034 /nfs/dbraw/zinc/76/60/34/585766034.db2.gz DLMIKMLEZNDYFU-UHFFFAOYSA-N 1 1 241.294 2.096 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1ccnc2ccccc12 ZINC000779810654 585766047 /nfs/dbraw/zinc/76/60/47/585766047.db2.gz GBKTUQXNJREGJY-UHFFFAOYSA-N 1 1 248.289 2.498 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1cnc(C)s1 ZINC000779810074 585766228 /nfs/dbraw/zinc/76/62/28/585766228.db2.gz ZRXLPXDGJUSVEX-UHFFFAOYSA-N 1 1 232.312 2.105 20 30 BEEDMO COc1ccc(C=NNc2cc[nH+]cc2)cc1C ZINC000779809895 585766269 /nfs/dbraw/zinc/76/62/69/585766269.db2.gz XECYEMJMGJQGPJ-UHFFFAOYSA-N 1 1 241.294 2.267 20 30 BEEDMO N#Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)nc1 ZINC000780556326 585780935 /nfs/dbraw/zinc/78/09/35/585780935.db2.gz WZFGCIQLPLNKGR-UHFFFAOYSA-N 1 1 248.289 2.115 20 30 BEEDMO C[C@H](N[C@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423026 585795910 /nfs/dbraw/zinc/79/59/10/585795910.db2.gz OQMNABVFNABYSD-JQWIXIFHSA-N 1 1 247.317 2.052 20 30 BEEDMO C[C@H](N[C@H]1CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423026 585795911 /nfs/dbraw/zinc/79/59/11/585795911.db2.gz OQMNABVFNABYSD-JQWIXIFHSA-N 1 1 247.317 2.052 20 30 BEEDMO C[C@H](N[C@@H]1CC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423024 585795962 /nfs/dbraw/zinc/79/59/62/585795962.db2.gz OQMNABVFNABYSD-CMPLNLGQSA-N 1 1 247.317 2.052 20 30 BEEDMO C[C@H](N[C@@H]1CC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000781423024 585795963 /nfs/dbraw/zinc/79/59/63/585795963.db2.gz OQMNABVFNABYSD-CMPLNLGQSA-N 1 1 247.317 2.052 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1ccc2cnccc2c1 ZINC000782266911 585813383 /nfs/dbraw/zinc/81/33/83/585813383.db2.gz FTNWZNFSPVEDSU-UHFFFAOYSA-N 1 1 248.289 2.498 20 30 BEEDMO CCC(=NN1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000783511085 585835935 /nfs/dbraw/zinc/83/59/35/585835935.db2.gz JWMWSLMUTCBXAK-UHFFFAOYSA-N 1 1 249.333 2.187 20 30 BEEDMO C[C@@H]1CCCC[C@@H]1C=NN1CC[NH+](C)CC1 ZINC000783774691 585842900 /nfs/dbraw/zinc/84/29/00/585842900.db2.gz ZIJMBWLTFNRGEK-CHWSQXEVSA-N 1 1 223.364 2.046 20 30 BEEDMO Cc1ccnc(NCC[N@@H+]2CCC[C@@H]2C)c1C#N ZINC000784163715 585852249 /nfs/dbraw/zinc/85/22/49/585852249.db2.gz VPOJWXNUBJOJDR-LBPRGKRZSA-N 1 1 244.342 2.158 20 30 BEEDMO C[C@]1(C#N)CCC[N@@H+](CCCCCCO)C1 ZINC000784452030 585860198 /nfs/dbraw/zinc/86/01/98/585860198.db2.gz ZHFFABUCOKLVOU-CYBMUJFWSA-N 1 1 224.348 2.165 20 30 BEEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000785546042 585875619 /nfs/dbraw/zinc/87/56/19/585875619.db2.gz KREGJEUERMSFRS-INTQDDNPSA-N 1 1 217.740 2.220 20 30 BEEDMO Cc1cc(C[N@H+]2CC[C@H]3C[C@H]32)ccc1C#N ZINC000785769239 585880217 /nfs/dbraw/zinc/88/02/17/585880217.db2.gz SJYMJKAMQAPYIT-GXTWGEPZSA-N 1 1 212.296 2.461 20 30 BEEDMO CC(C)C[N@H+](CCC#N)CCOCC(F)F ZINC000787250677 585904006 /nfs/dbraw/zinc/90/40/06/585904006.db2.gz GAAVWMLPEKLVJJ-UHFFFAOYSA-N 1 1 234.290 2.140 20 30 BEEDMO C#CCC[N@H+](C)[C@H](COC)Cc1ccccc1 ZINC000789454614 585943067 /nfs/dbraw/zinc/94/30/67/585943067.db2.gz BWFWQLGPQPEBEP-HNNXBMFYSA-N 1 1 231.339 2.199 20 30 BEEDMO CC[C@H](C)NN=C1C[N@H+](C(C)C)C[C@H]1C ZINC000790187512 585960499 /nfs/dbraw/zinc/96/04/99/585960499.db2.gz BZSURMXMKOTCAH-MNOVXSKESA-N 1 1 211.353 2.091 20 30 BEEDMO C=CC[N@H+](CCOC)Cc1ccc2c(c1)COC2 ZINC000792192828 585997231 /nfs/dbraw/zinc/99/72/31/585997231.db2.gz OBDGDQLAGKVYKL-UHFFFAOYSA-N 1 1 247.338 2.351 20 30 BEEDMO C=CC[N@H+](CCc1cnn(CC)c1)C(C)C ZINC000794549048 586043571 /nfs/dbraw/zinc/04/35/71/586043571.db2.gz BCMPPHOEYUTLPG-UHFFFAOYSA-N 1 1 221.348 2.342 20 30 BEEDMO C=CC[N@@H+](CCC#N)CC1(O)CCCCC1 ZINC000794742516 586047891 /nfs/dbraw/zinc/04/78/91/586047891.db2.gz BGABIRZVCWHYFF-UHFFFAOYSA-N 1 1 222.332 2.083 20 30 BEEDMO C=CC[N@H+](CCC#N)CC1(O)CCCCC1 ZINC000794742516 586047892 /nfs/dbraw/zinc/04/78/92/586047892.db2.gz BGABIRZVCWHYFF-UHFFFAOYSA-N 1 1 222.332 2.083 20 30 BEEDMO C=CCN[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000795003826 586064264 /nfs/dbraw/zinc/06/42/64/586064264.db2.gz RFSAARBHERLMRN-UHFFFAOYSA-N 1 1 238.360 2.099 20 30 BEEDMO CCCCCCC[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796576185 586107597 /nfs/dbraw/zinc/10/75/97/586107597.db2.gz VRJLKZPIOIBNKF-KGLIPLIRSA-N 1 1 243.391 2.429 20 30 BEEDMO CC[C@H]1CC[C@@H](C)CC1=NN1CC[NH+](C)CC1 ZINC000797399046 586126403 /nfs/dbraw/zinc/12/64/03/586126403.db2.gz YNLFEVBGHCLSLP-OLZOCXBDSA-N 1 1 237.391 2.436 20 30 BEEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000798185533 586139081 /nfs/dbraw/zinc/13/90/81/586139081.db2.gz FSQZNKIKJITBHA-OAHLLOKOSA-N 1 1 243.350 2.403 20 30 BEEDMO C=CC[C@H](CC)NC(=O)CCCn1cc[nH+]c1C ZINC000798554038 586144932 /nfs/dbraw/zinc/14/49/32/586144932.db2.gz KLMINOGDDAKFDG-ZDUSSCGKSA-N 1 1 249.358 2.443 20 30 BEEDMO C=CCC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799166685 586163598 /nfs/dbraw/zinc/16/35/98/586163598.db2.gz GZKKLIMWZGIIRI-UHFFFAOYSA-N 1 1 211.696 2.138 20 30 BEEDMO C#CCCCN1[C@H](C)C[N@H+](CCCC#C)C[C@@H]1C ZINC000799168651 586165013 /nfs/dbraw/zinc/16/50/13/586165013.db2.gz VGVACYJVNXJQNR-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO C#CCCCN1C[C@@H](C)[N@H+](CCCC#C)[C@@H](C)C1 ZINC000799168651 586165015 /nfs/dbraw/zinc/16/50/15/586165015.db2.gz VGVACYJVNXJQNR-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO C#CCCCN1C[C@@H](C)[N@@H+](CCCC#C)[C@@H](C)C1 ZINC000799168651 586165018 /nfs/dbraw/zinc/16/50/18/586165018.db2.gz VGVACYJVNXJQNR-IYBDPMFKSA-N 1 1 246.398 2.208 20 30 BEEDMO N#CCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194224 586166045 /nfs/dbraw/zinc/16/60/45/586166045.db2.gz QQSVDTGKDRYSKA-GFCCVEGCSA-N 1 1 215.300 2.175 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@@H](OCC)C2CC2)C1 ZINC000859335946 589032506 /nfs/dbraw/zinc/03/25/06/589032506.db2.gz IWLMDHJHFIGRLB-GXTWGEPZSA-N 1 1 221.344 2.147 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC2(CCCC2)C1 ZINC000800379758 586214590 /nfs/dbraw/zinc/21/45/90/586214590.db2.gz WCXGWTFXAZMTAK-LBPRGKRZSA-N 1 1 237.343 2.370 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCCC2(CCCC2)C1 ZINC000800379758 586214592 /nfs/dbraw/zinc/21/45/92/586214592.db2.gz WCXGWTFXAZMTAK-LBPRGKRZSA-N 1 1 237.343 2.370 20 30 BEEDMO C[NH+]1CCN(N=C2CCC[C@@H]2CCCF)CC1 ZINC000800803299 586230179 /nfs/dbraw/zinc/23/01/79/586230179.db2.gz DBZRPDQPRMUJCC-GFCCVEGCSA-N 1 1 241.354 2.140 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](CC(OCC)OCC)C1 ZINC000859445877 589037719 /nfs/dbraw/zinc/03/77/19/589037719.db2.gz RMIUHBJLJVTNLE-GFCCVEGCSA-N 1 1 227.348 2.284 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000859445927 589037915 /nfs/dbraw/zinc/03/79/15/589037915.db2.gz RQEKJUCTCARGOQ-CHWSQXEVSA-N 1 1 239.359 2.426 20 30 BEEDMO CC(C)C(=O)CC[N@H+](CCC#N)CC1CC1 ZINC000808732120 586268652 /nfs/dbraw/zinc/26/86/52/586268652.db2.gz BLNKSLHCFSEXDY-UHFFFAOYSA-N 1 1 222.332 2.227 20 30 BEEDMO CC(C)C(=O)CC[N@@H+](CCC#N)CC1CC1 ZINC000808732120 586268655 /nfs/dbraw/zinc/26/86/55/586268655.db2.gz BLNKSLHCFSEXDY-UHFFFAOYSA-N 1 1 222.332 2.227 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000801918493 586276324 /nfs/dbraw/zinc/27/63/24/586276324.db2.gz PFDQWLZMQXQCMU-NWDGAFQWSA-N 1 1 224.348 2.426 20 30 BEEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801935959 586279148 /nfs/dbraw/zinc/27/91/48/586279148.db2.gz NQGKBHCWHPPFTP-TZMCWYRMSA-N 1 1 247.342 2.393 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000801940051 586280694 /nfs/dbraw/zinc/28/06/94/586280694.db2.gz XTJRVQRSKFNQCH-RFQIPJPRSA-N 1 1 236.359 2.426 20 30 BEEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000801940477 586280770 /nfs/dbraw/zinc/28/07/70/586280770.db2.gz NCQARQDIEBKWOW-CHWSQXEVSA-N 1 1 236.359 2.427 20 30 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588693269 /nfs/dbraw/zinc/69/32/69/588693269.db2.gz IZPQGVPFXYRWIO-KBPBESRZSA-N 1 1 242.322 2.431 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C(/C)C(=O)OC ZINC000852686580 588695743 /nfs/dbraw/zinc/69/57/43/588695743.db2.gz XYUNBPAWDXBHKJ-JZMZOOAYSA-N 1 1 235.327 2.289 20 30 BEEDMO C#CCC[N@H+](CCC=C(C)C)CCOC ZINC000852750600 588700185 /nfs/dbraw/zinc/70/01/85/588700185.db2.gz ZRSBTIYPBLPDCT-UHFFFAOYSA-N 1 1 209.333 2.314 20 30 BEEDMO C=CC[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000860900465 589128713 /nfs/dbraw/zinc/12/87/13/589128713.db2.gz FTUVGRIFOONJHE-VXGBXAGGSA-N 1 1 225.332 2.369 20 30 BEEDMO C=CC[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000860900465 589128714 /nfs/dbraw/zinc/12/87/14/589128714.db2.gz FTUVGRIFOONJHE-VXGBXAGGSA-N 1 1 225.332 2.369 20 30 BEEDMO Cc1c(F)nccc1C[NH+]1CCC(C#N)CC1 ZINC000862237304 589196518 /nfs/dbraw/zinc/19/65/18/589196518.db2.gz YVDUETFWELFWJB-UHFFFAOYSA-N 1 1 233.290 2.265 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000862442310 589213183 /nfs/dbraw/zinc/21/31/83/589213183.db2.gz BOZIFUSWIVLWEM-LBPRGKRZSA-N 1 1 245.322 2.246 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC000862443503 589213739 /nfs/dbraw/zinc/21/37/39/589213739.db2.gz PZLWCWIEDBJAQG-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000862444601 589213934 /nfs/dbraw/zinc/21/39/34/589213934.db2.gz CZWNOXIBOICMSG-NSHDSACASA-N 1 1 246.379 2.477 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC000862445511 589214743 /nfs/dbraw/zinc/21/47/43/589214743.db2.gz VQHDCRBQQQDBJB-NSHDSACASA-N 1 1 220.341 2.297 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000862445663 589214772 /nfs/dbraw/zinc/21/47/72/589214772.db2.gz ZCIKSFCWVSHIQZ-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000862445663 589214774 /nfs/dbraw/zinc/21/47/74/589214774.db2.gz ZCIKSFCWVSHIQZ-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000862445663 589214776 /nfs/dbraw/zinc/21/47/76/589214776.db2.gz ZCIKSFCWVSHIQZ-LBPRGKRZSA-N 1 1 239.322 2.408 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000862448472 589215127 /nfs/dbraw/zinc/21/51/27/589215127.db2.gz ZGEGWAPLXABLJX-ZDUSSCGKSA-N 1 1 243.354 2.138 20 30 BEEDMO Cc1ccc(N=NC2CC[N@H+](C)C(C)(C)C2)nn1 ZINC000863091077 589255140 /nfs/dbraw/zinc/25/51/40/589255140.db2.gz MKHDAJYXSOUDNU-UHFFFAOYSA-N 1 1 247.346 2.057 20 30 BEEDMO Cc1cccc(N=NC2CCC[N@H+](C)CC2)n1 ZINC000863159962 589264727 /nfs/dbraw/zinc/26/47/27/589264727.db2.gz LOKDDSQTFUYAGK-UHFFFAOYSA-N 1 1 232.331 2.274 20 30 BEEDMO Cn1nccc1[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163533 589266170 /nfs/dbraw/zinc/26/61/70/589266170.db2.gz HPSUGFDHOCSULF-LLVKDONJSA-N 1 1 243.314 2.179 20 30 BEEDMO COC1(CC(C)=[NH+]n2cccn2)CCC1 ZINC000863163984 589266297 /nfs/dbraw/zinc/26/62/97/589266297.db2.gz VOAWCJWFXAXHSF-UHFFFAOYSA-N 1 1 207.277 2.066 20 30 BEEDMO CC(=[NH+]n1cccn1)C1CCSCC1 ZINC000863164439 589266607 /nfs/dbraw/zinc/26/66/07/589266607.db2.gz JZCZGJITOTXQBW-UHFFFAOYSA-N 1 1 209.318 2.250 20 30 BEEDMO CC#CCCO[NH+]=C(N)CCC(F)(F)F ZINC000863490963 589294010 /nfs/dbraw/zinc/29/40/10/589294010.db2.gz UODAGDQJVQYVRW-UHFFFAOYSA-N 1 1 222.210 2.241 20 30 BEEDMO C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC000865162900 589411990 /nfs/dbraw/zinc/41/19/90/589411990.db2.gz BOXLIQJNPQLTRQ-QWHCGFSZSA-N 1 1 238.375 2.140 20 30 BEEDMO C#C[C@@H]([NH2+]Cc1ccc(C)cc1F)[C@@H]1CCCO1 ZINC000865531911 589443321 /nfs/dbraw/zinc/44/33/21/589443321.db2.gz POOYSWFZAAZPKT-CABCVRRESA-N 1 1 247.313 2.405 20 30 BEEDMO Cc1cc(C#N)cc(NCC[N@@H+]2CCC[C@@H]2C)n1 ZINC000865564530 589446915 /nfs/dbraw/zinc/44/69/15/589446915.db2.gz OGQIZOCFALEZAB-LBPRGKRZSA-N 1 1 244.342 2.158 20 30 BEEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3)CC[C@H]21 ZINC000866208360 589480577 /nfs/dbraw/zinc/48/05/77/589480577.db2.gz UAPSZKYTPDNSNC-UKRRQHHQSA-N 1 1 241.338 2.089 20 30 BEEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3CSC[C@H]3C2)C1 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CC(C)=CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367031 645321924 /nfs/dbraw/zinc/32/19/24/645321924.db2.gz LPSHQMKREIHYES-HNNXBMFYSA-N 1 1 244.338 2.490 20 30 BEEDMO C=CC[N@H+](CN1C(=O)CC12CCCC2)C(C)C ZINC000844689325 645342451 /nfs/dbraw/zinc/34/24/51/645342451.db2.gz LIHGJPWDHWIWPR-UHFFFAOYSA-N 1 1 236.359 2.385 20 30 BEEDMO C=CC[N@@H+](CN1C(=O)CC12CCCC2)C(C)C ZINC000844689325 645342456 /nfs/dbraw/zinc/34/24/56/645342456.db2.gz LIHGJPWDHWIWPR-UHFFFAOYSA-N 1 1 236.359 2.385 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000848924610 645443220 /nfs/dbraw/zinc/44/32/20/645443220.db2.gz WVVDPRWIUHFYPV-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000848924610 645443229 /nfs/dbraw/zinc/44/32/29/645443229.db2.gz WVVDPRWIUHFYPV-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000848924610 645443233 /nfs/dbraw/zinc/44/32/33/645443233.db2.gz WVVDPRWIUHFYPV-GFCCVEGCSA-N 1 1 239.322 2.408 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852216567 645476594 /nfs/dbraw/zinc/47/65/94/645476594.db2.gz HIGHFIFWHZRHRM-FQUUOJAGSA-N 1 1 203.329 2.378 20 30 BEEDMO C#CC[C@H]1CC[N@H+](CC2(SC)CC2)C1 ZINC000862447540 645696795 /nfs/dbraw/zinc/69/67/95/645696795.db2.gz NTELIIFJVHVGLV-NSHDSACASA-N 1 1 209.358 2.227 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC000862446809 645696947 /nfs/dbraw/zinc/69/69/47/645696947.db2.gz FLVWWPPTAFGXPC-CYBMUJFWSA-N 1 1 214.312 2.235 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2ccoc2C)C1 ZINC000862446797 645697378 /nfs/dbraw/zinc/69/73/78/645697378.db2.gz FDFYVEFSAVLJQD-GFCCVEGCSA-N 1 1 203.285 2.433 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(F)c2N)C1 ZINC000877650644 645805759 /nfs/dbraw/zinc/80/57/59/645805759.db2.gz SMHXGQSBZJHZCL-LLVKDONJSA-N 1 1 232.302 2.253 20 30 BEEDMO C=CC[C@H]1CC[N@H+](Cc2cn(CCC)nn2)C1 ZINC000877650325 645805839 /nfs/dbraw/zinc/80/58/39/645805839.db2.gz QCSBHWZRYPFFNC-LBPRGKRZSA-N 1 1 234.347 2.086 20 30 BEEDMO C#CC[C@H]1CC[N@H+](C[C@H](CCC)OC)C1 ZINC000877650416 645805906 /nfs/dbraw/zinc/80/59/06/645805906.db2.gz QWDRQLBXZYUKBX-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](CCC)OC)C1 ZINC000877650412 645806158 /nfs/dbraw/zinc/80/61/58/645806158.db2.gz QWDRQLBXZYUKBX-CHWSQXEVSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000877651118 645806604 /nfs/dbraw/zinc/80/66/04/645806604.db2.gz RXQIOZBRAKHNEI-FQUUOJAGSA-N 1 1 203.329 2.378 20 30 BEEDMO C[NH+]1CCN(N=C/C=C/c2cccc(F)c2)CC1 ZINC000884370353 645874823 /nfs/dbraw/zinc/87/48/23/645874823.db2.gz HIBNWWXCXXMBEL-KRYSJNIRSA-N 1 1 247.317 2.072 20 30 BEEDMO C=CC[C@@H]([NH2+]C1(C2CC2)CCC1)C(=O)OC ZINC000887148435 645894691 /nfs/dbraw/zinc/89/46/91/645894691.db2.gz CBZSYLGBWCUIFD-LLVKDONJSA-N 1 1 223.316 2.026 20 30 BEEDMO N#CC1CCC(C[N@H+]2CCc3nc[nH]c3C2)CC1 ZINC000929070641 645934217 /nfs/dbraw/zinc/93/42/17/645934217.db2.gz YGHKPSWROJNGIN-UHFFFAOYSA-N 1 1 244.342 2.098 20 30 BEEDMO C=C(C)C[N@H+](CC)Cc1[nH]c(C)nc1C ZINC000929219590 646016805 /nfs/dbraw/zinc/01/68/05/646016805.db2.gz YPQNPJHFAUEAGO-UHFFFAOYSA-N 1 1 207.321 2.425 20 30 BEEDMO C=CC[N@H+](Cc1nn(C)cc1C)C(C)C ZINC000929291726 646065203 /nfs/dbraw/zinc/06/52/03/646065203.db2.gz BTVJJNKVCRSXTK-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO C=CC[N@@H+](Cc1nn(C)cc1C)C(C)C ZINC000929291726 646065211 /nfs/dbraw/zinc/06/52/11/646065211.db2.gz BTVJJNKVCRSXTK-UHFFFAOYSA-N 1 1 207.321 2.125 20 30 BEEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](CC)CO ZINC000929361135 646096804 /nfs/dbraw/zinc/09/68/04/646096804.db2.gz DQEABWYNVKMRTB-HNNXBMFYSA-N 1 1 233.355 2.488 20 30 BEEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929404931 646109392 /nfs/dbraw/zinc/10/93/92/646109392.db2.gz YTVHAMNAMPSFDP-OAHLLOKOSA-N 1 1 246.354 2.419 20 30 BEEDMO CC[N@H+](C/C=C(/C)COC)C[C@@H](C)C#N ZINC000929430300 646116382 /nfs/dbraw/zinc/11/63/82/646116382.db2.gz ZPQMTSULANGRGG-DSDFTUOUSA-N 1 1 210.321 2.061 20 30 BEEDMO CC[N@@H+](C/C=C(/C)COC)C[C@@H](C)C#N ZINC000929430300 646116387 /nfs/dbraw/zinc/11/63/87/646116387.db2.gz ZPQMTSULANGRGG-DSDFTUOUSA-N 1 1 210.321 2.061 20 30 BEEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1cccnc1 ZINC000929473334 646130786 /nfs/dbraw/zinc/13/07/86/646130786.db2.gz YDGPBTOCLALDDF-LBPRGKRZSA-N 1 1 217.316 2.106 20 30 BEEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000929531733 646176311 /nfs/dbraw/zinc/17/63/11/646176311.db2.gz OQZOOPDKRLSCOJ-DMDPSCGWSA-N 1 1 224.348 2.160 20 30 BEEDMO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)CC#N ZINC000929689930 646247156 /nfs/dbraw/zinc/24/71/56/646247156.db2.gz JGMJVNLGLYFFFE-ZWNOBZJWSA-N 1 1 248.301 2.019 20 30 BEEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)CC#N ZINC000929689930 646247163 /nfs/dbraw/zinc/24/71/63/646247163.db2.gz JGMJVNLGLYFFFE-ZWNOBZJWSA-N 1 1 248.301 2.019 20 30 BEEDMO CC[N@@H+](CCCO)Cc1c(C)cc(C#N)cc1C ZINC000929751882 646283596 /nfs/dbraw/zinc/28/35/96/646283596.db2.gz BBZMZSIRSMACSC-UHFFFAOYSA-N 1 1 246.354 2.379 20 30 BEEDMO CC[N@H+](CCC#N)CCCc1cccnc1 ZINC000929775391 646302108 /nfs/dbraw/zinc/30/21/08/646302108.db2.gz YIPRXQCMXWUXMW-UHFFFAOYSA-N 1 1 217.316 2.250 20 30 BEEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@](C)(O)C1 ZINC000929786474 646314642 /nfs/dbraw/zinc/31/46/42/646314642.db2.gz FBKYJYLQBKDMOL-HNNXBMFYSA-N 1 1 244.338 2.132 20 30 BEEDMO C#CC[N@H+](CC)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000929788695 646316522 /nfs/dbraw/zinc/31/65/22/646316522.db2.gz SJUZLVVNFLIVEB-ITGUQSILSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC[N@H+](CC)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929789704 646319096 /nfs/dbraw/zinc/31/90/96/646319096.db2.gz XXOISNWPJQTFFV-QWRGUYRKSA-N 1 1 249.276 2.442 20 30 BEEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC#N ZINC000929813290 646332733 /nfs/dbraw/zinc/33/27/33/646332733.db2.gz QKIQLPADAOJWMP-YUELXQCFSA-N 1 1 244.338 2.139 20 30 BEEDMO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925670956 646399603 /nfs/dbraw/zinc/39/96/03/646399603.db2.gz BIRDQTJPZNTWKH-NEPJUHHUSA-N 1 1 235.375 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C[C@H](C#N)OCC[N@H+]1CCc2ccsc2C1 ZINC000712298268 712394957 /nfs/dbraw/zinc/39/49/57/712394957.db2.gz JNICVSLXRSHIPJ-SNVBAGLBSA-N 1 1 236.340 2.035 20 30 BEEDMO C[C@]1(C#N)CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712381873 712428768 /nfs/dbraw/zinc/42/87/68/712428768.db2.gz CPJLTMSIYXKAKT-CHWSQXEVSA-N 1 1 234.343 2.324 20 30 BEEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000712381873 712428769 /nfs/dbraw/zinc/42/87/69/712428769.db2.gz CPJLTMSIYXKAKT-CHWSQXEVSA-N 1 1 234.343 2.324 20 30 BEEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715414977 712517620 /nfs/dbraw/zinc/51/76/20/712517620.db2.gz OGONUXMFBVMRMJ-WXHSDQCUSA-N 1 1 222.332 2.035 20 30 BEEDMO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719711923 712823028 /nfs/dbraw/zinc/82/30/28/712823028.db2.gz UTDWXUSFOYEDKK-GFCCVEGCSA-N 1 1 238.375 2.409 20 30 BEEDMO C#Cc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000381551712 710653802 /nfs/dbraw/zinc/65/38/02/710653802.db2.gz MUTZLTTYGOCABK-UHFFFAOYSA-N 1 1 210.280 2.061 20 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C[C@@H](C#N)OCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000708815977 712199427 /nfs/dbraw/zinc/19/94/27/712199427.db2.gz ANDFADLXFVMNLV-JSGCOSHPSA-N 1 1 236.359 2.427 20 30 BEEDMO C#CCCC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000708881740 712202625 /nfs/dbraw/zinc/20/26/25/712202625.db2.gz ZGWABULCYZDLEZ-LBPRGKRZSA-N 1 1 209.333 2.147 20 30 BEEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000710016806 712240811 /nfs/dbraw/zinc/24/08/11/712240811.db2.gz LXGAEVLXFNRJEF-STQMWFEESA-N 1 1 237.391 2.246 20 30 BEEDMO C#CCCCCC[N@@H+]1CCC[C@](O)(CC)C1 ZINC000710665808 712265146 /nfs/dbraw/zinc/26/51/46/712265146.db2.gz VDPBWOIFNVNFBS-CQSZACIVSA-N 1 1 223.360 2.417 20 30 BEEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)CC[C@@H]21 ZINC001036685438 712295721 /nfs/dbraw/zinc/29/57/21/712295721.db2.gz XQXWDNCVCHXVQE-YCYRZOEZSA-N 1 1 248.370 2.061 20 30 BEEDMO COc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1C#N ZINC000711435047 712299729 /nfs/dbraw/zinc/29/97/29/712299729.db2.gz MBEXBZQHIWXFFA-GFCCVEGCSA-N 1 1 248.301 2.358 20 30 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N#CC[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC000826861607 712592617 /nfs/dbraw/zinc/59/26/17/712592617.db2.gz HFLOEIXCEGOZKG-CHWSQXEVSA-N 1 1 220.316 2.305 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000848923771 712610436 /nfs/dbraw/zinc/61/04/36/712610436.db2.gz JNPCPDITBKQNGM-AWEZNQCLSA-N 1 1 245.370 2.365 20 30 BEEDMO C[C@@H](C#N)OCC[N@@H+](C)CC1CCCC1 ZINC000379878257 712620073 /nfs/dbraw/zinc/62/00/73/712620073.db2.gz UOCPESFAHMPNHD-NSHDSACASA-N 1 1 210.321 2.037 20 30 BEEDMO C=CCC1(O)CC[NH+](Cc2nccs2)CC1 ZINC000717473383 712659486 /nfs/dbraw/zinc/65/94/86/712659486.db2.gz RQJNNLCMLGZERV-UHFFFAOYSA-N 1 1 238.356 2.046 20 30 BEEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](C#N)C1 ZINC000932153962 712715763 /nfs/dbraw/zinc/71/57/63/712715763.db2.gz CNDAGMSMPTVAOR-GJZGRUSLSA-N 1 1 249.402 2.485 20 30 BEEDMO C=CCCCCC[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718988810 712792354 /nfs/dbraw/zinc/79/23/54/712792354.db2.gz ODOBXWLGLRQQSR-CYBMUJFWSA-N 1 1 239.359 2.428 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719090974 712796715 /nfs/dbraw/zinc/79/67/15/712796715.db2.gz JGMKJPJFDHXIAQ-LBPRGKRZSA-N 1 1 225.332 2.038 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719681364 712821304 /nfs/dbraw/zinc/82/13/04/712821304.db2.gz JNYFPXYWFKCEMQ-SNVBAGLBSA-N 1 1 217.740 2.222 20 30 BEEDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C#N ZINC000720361726 712835193 /nfs/dbraw/zinc/83/51/93/712835193.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 1 1 249.402 2.485 20 30 BEEDMO C[C@H]1CC[N@H+](Cc2ccccc2C#N)CCO1 ZINC000720454806 712844308 /nfs/dbraw/zinc/84/43/08/712844308.db2.gz AIHLWEQWEDKARX-LBPRGKRZSA-N 1 1 230.311 2.169 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)CCO1 ZINC000720454806 712844310 /nfs/dbraw/zinc/84/43/10/712844310.db2.gz AIHLWEQWEDKARX-LBPRGKRZSA-N 1 1 230.311 2.169 20 30 BEEDMO C#C[C@@H](C)[NH2+]Cc1nc2c(s1)CCCC2 ZINC000380265538 712855563 /nfs/dbraw/zinc/85/55/63/712855563.db2.gz TZGSROWSKBLTCU-SECBINFHSA-N 1 1 220.341 2.133 20 30 BEEDMO 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CC(C)N([C@H]1CC[C@@H](C#N)C1)C(C)(C)C[NH3+] ZINC001254653728 1169814541 /nfs/dbraw/zinc/81/45/41/1169814541.db2.gz PQGXKJKERDZLMG-NEPJUHHUSA-N 1 1 223.364 2.126 20 30 BEEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCC ZINC001154605741 962805506 /nfs/dbraw/zinc/80/55/06/962805506.db2.gz PJWRTGPKROXUGZ-GFCCVEGCSA-N 1 1 240.391 2.435 20 30 BEEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001154639213 962825800 /nfs/dbraw/zinc/82/58/00/962825800.db2.gz DDULUZXULXQLBT-NEPJUHHUSA-N 1 1 244.354 2.137 20 30 BEEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCCF ZINC001154652455 962830318 /nfs/dbraw/zinc/83/03/18/962830318.db2.gz UMIZBTDXLPNFIP-GFCCVEGCSA-N 1 1 244.354 2.139 20 30 BEEDMO Cc1oncc1CNc1ccc(CC#N)c(C)[nH+]1 ZINC001154887300 962883513 /nfs/dbraw/zinc/88/35/13/962883513.db2.gz HJGZVFRWTVFECS-UHFFFAOYSA-N 1 1 242.282 2.365 20 30 BEEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)/C(C)=C/CC)C1 ZINC001270549193 963011192 /nfs/dbraw/zinc/01/11/92/963011192.db2.gz NWVIDYUVRPEFDV-WEKMIXOTSA-N 1 1 236.359 2.109 20 30 BEEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880130046 963047548 /nfs/dbraw/zinc/04/75/48/963047548.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 1 1 208.349 2.121 20 30 BEEDMO COCC[N@@H+](C(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254670085 1169819311 /nfs/dbraw/zinc/81/93/11/1169819311.db2.gz YWWHQXMYDZAIGG-RYUDHWBXSA-N 1 1 210.321 2.035 20 30 BEEDMO C#CCCC[N@@H+]1CCCC[C@H](COC)C1 ZINC000696610885 963290758 /nfs/dbraw/zinc/29/07/58/963290758.db2.gz RETXOXJIXOENNB-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC)C1 ZINC001270932867 963303494 /nfs/dbraw/zinc/30/34/94/963303494.db2.gz PONFRPZLQITMKN-AWEZNQCLSA-N 1 1 238.375 2.191 20 30 BEEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C ZINC001156541196 963378291 /nfs/dbraw/zinc/37/82/91/963378291.db2.gz PIQLWTTXEYHXNW-LLVKDONJSA-N 1 1 226.364 2.045 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895563088 963434055 /nfs/dbraw/zinc/43/40/55/963434055.db2.gz TUEVMBIAOWRFTQ-ZDUSSCGKSA-N 1 1 243.354 2.453 20 30 BEEDMO N#Cc1ccccc1CNc1ccc(N)c[nH+]1 ZINC001156784225 963461704 /nfs/dbraw/zinc/46/17/04/963461704.db2.gz KWAKMSJZRVXBFR-UHFFFAOYSA-N 1 1 224.267 2.148 20 30 BEEDMO COc1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1O ZINC000896506010 963468527 /nfs/dbraw/zinc/46/85/27/963468527.db2.gz RRPUOUVJPWQMNC-LLVKDONJSA-N 1 1 246.310 2.136 20 30 BEEDMO COc1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1O ZINC000896506010 963468532 /nfs/dbraw/zinc/46/85/32/963468532.db2.gz RRPUOUVJPWQMNC-LLVKDONJSA-N 1 1 246.310 2.136 20 30 BEEDMO C=C(C)C(=O)OCCNc1[nH+]ccc2cc[nH]c21 ZINC001168073074 963604927 /nfs/dbraw/zinc/60/49/27/963604927.db2.gz BANGAZBYCHPGOF-UHFFFAOYSA-N 1 1 245.282 2.094 20 30 BEEDMO CCC1(CNc2[nH+]c(C)ccc2CC#N)COC1 ZINC001157546390 963655025 /nfs/dbraw/zinc/65/50/25/963655025.db2.gz KLRZDHNOFULIBS-UHFFFAOYSA-N 1 1 245.326 2.295 20 30 BEEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H](C)CC ZINC001271963272 963708729 /nfs/dbraw/zinc/70/87/29/963708729.db2.gz SYNIOJIGQSJFKV-CYBMUJFWSA-N 1 1 240.391 2.389 20 30 BEEDMO Cc1ccc(CC#N)c(N[C@@H](CO)C(C)(C)C)[nH+]1 ZINC001157758383 963720630 /nfs/dbraw/zinc/72/06/30/963720630.db2.gz DGBIFSNTGURNAC-LBPRGKRZSA-N 1 1 247.342 2.275 20 30 BEEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001088448327 963798914 /nfs/dbraw/zinc/79/89/14/963798914.db2.gz DBOYSUBTFVRTFQ-NEPJUHHUSA-N 1 1 248.326 2.048 20 30 BEEDMO C[C@@H]1C[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCO1 ZINC001168130132 963814270 /nfs/dbraw/zinc/81/42/70/963814270.db2.gz CPHBSOXJMSSRPE-POQQGIQPSA-N 1 1 234.343 2.320 20 30 BEEDMO C#C[C@@](C)(CC)Nc1nc(N2CCCC2)cc[nH+]1 ZINC001158736366 963911517 /nfs/dbraw/zinc/91/15/17/963911517.db2.gz HEQHWZWEXYMUCW-AWEZNQCLSA-N 1 1 244.342 2.291 20 30 BEEDMO C#C[C@](C)(CC)Nc1[nH+]cnc2c1ccn2C ZINC001158736227 963912006 /nfs/dbraw/zinc/91/20/06/963912006.db2.gz FQKIHFOTDFGQLR-CYBMUJFWSA-N 1 1 228.299 2.182 20 30 BEEDMO N#Cc1c2c(sc1N=C1CC[NH2+]C1)CCCC2 ZINC001159112997 964003632 /nfs/dbraw/zinc/00/36/32/964003632.db2.gz JTWGXAHMNMUWPZ-UHFFFAOYSA-N 1 1 245.351 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/nfs/dbraw/zinc/06/50/84/979065084.db2.gz KJWLQQMLXHVCHZ-UHFFFAOYSA-N 1 1 242.322 2.117 20 30 BEEDMO N#CCc1ccccc1C[N@H+]1CCOCC12CC2 ZINC001235525187 979065097 /nfs/dbraw/zinc/06/50/97/979065097.db2.gz KJWLQQMLXHVCHZ-UHFFFAOYSA-N 1 1 242.322 2.117 20 30 BEEDMO C=CC[N@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235524307 979067644 /nfs/dbraw/zinc/06/76/44/979067644.db2.gz CYUQDFTXHRGJHK-ZDUSSCGKSA-N 1 1 240.391 2.293 20 30 BEEDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1CC#N ZINC001235530235 979071788 /nfs/dbraw/zinc/07/17/88/979071788.db2.gz TWVGLMXBKJVYLA-DOMZBBRYSA-N 1 1 244.338 2.098 20 30 BEEDMO N#CCC[N@H+](CCCCCO)C1CCCC1 ZINC001235664459 979111387 /nfs/dbraw/zinc/11/13/87/979111387.db2.gz ULHGTUOJLAASAD-UHFFFAOYSA-N 1 1 224.348 2.307 20 30 BEEDMO C=CCCCCC[N@@H+]1CCN[C@@H](CC)C1 ZINC001235723712 979136069 /nfs/dbraw/zinc/13/60/69/979136069.db2.gz HLCXHZFELZPIRM-ZDUSSCGKSA-N 1 1 210.365 2.417 20 30 BEEDMO C=CCCCCC[N@H+]1CCN[C@@H](CC)C1 ZINC001235723712 979136073 /nfs/dbraw/zinc/13/60/73/979136073.db2.gz HLCXHZFELZPIRM-ZDUSSCGKSA-N 1 1 210.365 2.417 20 30 BEEDMO C#CCCCCCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001340887948 979141864 /nfs/dbraw/zinc/14/18/64/979141864.db2.gz ZDYXUCACNZABBK-ZDUSSCGKSA-N 1 1 221.344 2.027 20 30 BEEDMO C=CCCCCC[N@H+]1CCNC2(CC2)C1 ZINC001235933884 979212659 /nfs/dbraw/zinc/21/26/59/979212659.db2.gz VMPXRPYKMCINEH-UHFFFAOYSA-N 1 1 208.349 2.171 20 30 BEEDMO C=CCCCCCN1CC[NH2+]C2(CC2)C1 ZINC001235933884 979212671 /nfs/dbraw/zinc/21/26/71/979212671.db2.gz VMPXRPYKMCINEH-UHFFFAOYSA-N 1 1 208.349 2.171 20 30 BEEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)CC ZINC001273475814 979563328 /nfs/dbraw/zinc/56/33/28/979563328.db2.gz UAOYRLYFCVKBLJ-UHFFFAOYSA-N 1 1 226.364 2.143 20 30 BEEDMO CCc1ccc(C[N@H+](C)CCC#N)c(O)c1 ZINC001236783806 979732119 /nfs/dbraw/zinc/73/21/19/979732119.db2.gz VNHULPSCFKNUSZ-UHFFFAOYSA-N 1 1 218.300 2.300 20 30 BEEDMO CCc1ccc(C[N@@H+](C)CCC#N)c(O)c1 ZINC001236783806 979732127 /nfs/dbraw/zinc/73/21/27/979732127.db2.gz VNHULPSCFKNUSZ-UHFFFAOYSA-N 1 1 218.300 2.300 20 30 BEEDMO C#CC[N@H+](C)Cc1ccc(CC)cc1O ZINC001236794740 979740056 /nfs/dbraw/zinc/74/00/56/979740056.db2.gz OEAGPVFMAZMTBO-UHFFFAOYSA-N 1 1 203.285 2.020 20 30 BEEDMO CCC[N@H+](CCC#N)Cc1cccc(N)c1 ZINC001237222236 979850626 /nfs/dbraw/zinc/85/06/26/979850626.db2.gz WQHVFQRVSGTTEC-UHFFFAOYSA-N 1 1 217.316 2.394 20 30 BEEDMO CCC[N@@H+](CCC#N)Cc1cccc(N)c1 ZINC001237222236 979850630 /nfs/dbraw/zinc/85/06/30/979850630.db2.gz WQHVFQRVSGTTEC-UHFFFAOYSA-N 1 1 217.316 2.394 20 30 BEEDMO C#CC[N@@H+](C)Cc1ccncc1C(F)(F)F ZINC001237291967 979863062 /nfs/dbraw/zinc/86/30/62/979863062.db2.gz IVWGRVPVNWGBIA-UHFFFAOYSA-N 1 1 228.217 2.165 20 30 BEEDMO C=CCCCCN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380078 979878950 /nfs/dbraw/zinc/87/89/50/979878950.db2.gz FCWPAUYRWPNFTA-ZIAGYGMSSA-N 1 1 222.376 2.417 20 30 BEEDMO C[N@@H+](Cc1cn2cc(C#N)ccc2n1)C(C)(C)C ZINC001237614394 979975802 /nfs/dbraw/zinc/97/58/02/979975802.db2.gz OBVXOMJCQGDVSK-UHFFFAOYSA-N 1 1 242.326 2.436 20 30 BEEDMO CCc1[nH]ncc1C[NH+]1CCC(CC#N)CC1 ZINC001237651220 980004129 /nfs/dbraw/zinc/00/41/29/980004129.db2.gz NTEUOGFEHBOXLO-UHFFFAOYSA-N 1 1 232.331 2.098 20 30 BEEDMO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001343219817 980040149 /nfs/dbraw/zinc/04/01/49/980040149.db2.gz FMXDKCSOKYUJMX-VXGBXAGGSA-N 1 1 225.332 2.367 20 30 BEEDMO C#CC[N@@H+](Cc1ccc([S@](C)=O)cc1)C(C)C ZINC001343289174 980056593 /nfs/dbraw/zinc/05/65/93/980056593.db2.gz YUZXKYGAGOLRNO-KRWDZBQOSA-N 1 1 249.379 2.268 20 30 BEEDMO C=CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001343433162 980108600 /nfs/dbraw/zinc/10/86/00/980108600.db2.gz LLNIECXOXHFCBU-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C#CC[N@@H+](C)Cc1cccc(N2CCCCC2)n1 ZINC001238012156 980125886 /nfs/dbraw/zinc/12/58/86/980125886.db2.gz XMJBWGDNOFKENF-UHFFFAOYSA-N 1 1 243.354 2.137 20 30 BEEDMO C#CC[N@H+](C)Cc1cccc(N2CCCCC2)n1 ZINC001238012156 980125889 /nfs/dbraw/zinc/12/58/89/980125889.db2.gz XMJBWGDNOFKENF-UHFFFAOYSA-N 1 1 243.354 2.137 20 30 BEEDMO C=CC[N@H+](Cc1cnnn1C)C1CCCCC1 ZINC001238162053 980187586 /nfs/dbraw/zinc/18/75/86/980187586.db2.gz CZHJAAXPXNYLKK-UHFFFAOYSA-N 1 1 234.347 2.136 20 30 BEEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1CC1 ZINC001151462046 980195684 /nfs/dbraw/zinc/19/56/84/980195684.db2.gz VOMXQQQZYDRZPG-GFCCVEGCSA-N 1 1 238.375 2.189 20 30 BEEDMO C#CC[N@@H+](C)Cc1cc(C)c(Cl)cn1 ZINC001238418474 980249772 /nfs/dbraw/zinc/24/97/72/980249772.db2.gz PIKTXNPGSYHFEC-UHFFFAOYSA-N 1 1 208.692 2.108 20 30 BEEDMO C#CC[N@H+](C)Cc1cc(C)c(Cl)cn1 ZINC001238418474 980249774 /nfs/dbraw/zinc/24/97/74/980249774.db2.gz PIKTXNPGSYHFEC-UHFFFAOYSA-N 1 1 208.692 2.108 20 30 BEEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(F)c(OC)c2)C1 ZINC001238450740 980267763 /nfs/dbraw/zinc/26/77/63/980267763.db2.gz HEISRXJYRFBIEX-NSHDSACASA-N 1 1 248.301 2.075 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(F)c(OC)c2)C1 ZINC001238450740 980267774 /nfs/dbraw/zinc/26/77/74/980267774.db2.gz HEISRXJYRFBIEX-NSHDSACASA-N 1 1 248.301 2.075 20 30 BEEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C ZINC001110371326 980295844 /nfs/dbraw/zinc/29/58/44/980295844.db2.gz IWZZXMBILYLXIV-UPJWGTAASA-N 1 1 236.359 2.083 20 30 BEEDMO CCc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1C#N ZINC001238759852 980317004 /nfs/dbraw/zinc/31/70/04/980317004.db2.gz AVCRRTRWWZHVKC-HNNXBMFYSA-N 1 1 244.338 2.077 20 30 BEEDMO C=CCO[C@@H]1CC[N@H+](CC2CC(OCC)C2)C1 ZINC001345392147 980604781 /nfs/dbraw/zinc/60/47/81/980604781.db2.gz YBDPNDHCVQQMAC-ROKHWSDSSA-N 1 1 239.359 2.078 20 30 BEEDMO C=CCCCC(=O)N(C)CCC[N@H+](C)CC ZINC001273554353 980611170 /nfs/dbraw/zinc/61/11/70/980611170.db2.gz UMZVHLRXABNXHP-UHFFFAOYSA-N 1 1 226.364 2.143 20 30 BEEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CC1)C2 ZINC001110402750 980712616 /nfs/dbraw/zinc/71/26/16/980712616.db2.gz BQKSYWHXZZWEDA-MCIONIFRSA-N 1 1 248.370 2.084 20 30 BEEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001189269890 980768522 /nfs/dbraw/zinc/76/85/22/980768522.db2.gz MHPSIWAMDPMHPO-CYBMUJFWSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCC=C)C1 ZINC001189317700 980770974 /nfs/dbraw/zinc/77/09/74/980770974.db2.gz BLYNDELMDLYGCU-ZDUSSCGKSA-N 1 1 236.359 2.061 20 30 BEEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001189633447 980806892 /nfs/dbraw/zinc/80/68/92/980806892.db2.gz XHPPNSJZBKFSIC-AWEZNQCLSA-N 1 1 248.370 2.206 20 30 BEEDMO C=C(CC(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001346421994 980833447 /nfs/dbraw/zinc/83/34/47/980833447.db2.gz WRNISVRZJIWCOQ-ZDUSSCGKSA-N 1 1 238.375 2.047 20 30 BEEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC001190828533 980934562 /nfs/dbraw/zinc/93/45/62/980934562.db2.gz WNXFDZCMKKCUSY-AWEZNQCLSA-N 1 1 227.311 2.328 20 30 BEEDMO C[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cccnc1 ZINC001192868246 981194747 /nfs/dbraw/zinc/19/47/47/981194747.db2.gz FELWMBKRBPDETQ-NSHDSACASA-N 1 1 238.294 2.199 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCOCCC(C)C ZINC001193365915 981302644 /nfs/dbraw/zinc/30/26/44/981302644.db2.gz UVRUHJKJAWXJDS-UHFFFAOYSA-N 1 1 211.349 2.393 20 30 BEEDMO C[N@H+]1CCCC[C@@H]1CNc1cccc(CC#N)n1 ZINC001348378098 981347074 /nfs/dbraw/zinc/34/70/74/981347074.db2.gz JJYKPWZNNFKAPV-CYBMUJFWSA-N 1 1 244.342 2.044 20 30 BEEDMO C=CC[N@@H+](CCC#N)CC1(O)CCCCCC1 ZINC001194626982 981840549 /nfs/dbraw/zinc/84/05/49/981840549.db2.gz VOZPJCKZVJIIKT-UHFFFAOYSA-N 1 1 236.359 2.473 20 30 BEEDMO C=CC[N@H+](CCC#N)CC1(O)CCCCCC1 ZINC001194626982 981840554 /nfs/dbraw/zinc/84/05/54/981840554.db2.gz VOZPJCKZVJIIKT-UHFFFAOYSA-N 1 1 236.359 2.473 20 30 BEEDMO C=C(C)c1cc(N(C)C)c(C(=O)OCC)c[nH+]1 ZINC001240832133 981871888 /nfs/dbraw/zinc/87/18/88/981871888.db2.gz DEHKFPJIECWCPA-UHFFFAOYSA-N 1 1 234.299 2.357 20 30 BEEDMO C=C(C)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC001240836516 981880099 /nfs/dbraw/zinc/88/00/99/981880099.db2.gz NTBYXAPPIHYANJ-UHFFFAOYSA-N 1 1 244.338 2.107 20 30 BEEDMO CCC[C@@H](C)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001350330383 981931985 /nfs/dbraw/zinc/93/19/85/981931985.db2.gz VAJVNUJXPRUUGG-MCIONIFRSA-N 1 1 237.391 2.341 20 30 BEEDMO C=CC[C@@H]1CC[N@H+](CCOC(F)F)C1 ZINC001351223126 982236748 /nfs/dbraw/zinc/23/67/48/982236748.db2.gz HDQZAFBJRNFNNX-SECBINFHSA-N 1 1 205.248 2.124 20 30 BEEDMO COC/C(C)=C/C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001351273605 982258420 /nfs/dbraw/zinc/25/84/20/982258420.db2.gz MVPNZAVINRBPRC-YQJFHSMKSA-N 1 1 222.332 2.205 20 30 BEEDMO COC/C(C)=C/C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001351273605 982258433 /nfs/dbraw/zinc/25/84/33/982258433.db2.gz MVPNZAVINRBPRC-YQJFHSMKSA-N 1 1 222.332 2.205 20 30 BEEDMO COc1ccc(-c2cc[nH+]c(N)c2)c(CC#N)c1 ZINC001241170849 982317803 /nfs/dbraw/zinc/31/78/03/982317803.db2.gz UJLMUNINKNHKRF-UHFFFAOYSA-N 1 1 239.278 2.405 20 30 BEEDMO C=CCC[C@H]1CCC[N@H+]1CCO[C@H]1CCOC1 ZINC001198414454 982707499 /nfs/dbraw/zinc/70/74/99/982707499.db2.gz RZGFLPMNIMTRDI-KBPBESRZSA-N 1 1 239.359 2.223 20 30 BEEDMO COc1ccc(C2=CCC[N@@H+](C)C2)c(CC#N)c1 ZINC001241570426 982819527 /nfs/dbraw/zinc/81/95/27/982819527.db2.gz HNIIGDZOYUOTFP-UHFFFAOYSA-N 1 1 242.322 2.480 20 30 BEEDMO COc1c(C#N)c(F)ccc1C1=CCC[N@@H+](C)C1 ZINC001241572166 982827929 /nfs/dbraw/zinc/82/79/29/982827929.db2.gz RZIUEDVZLOUYMB-UHFFFAOYSA-N 1 1 246.285 2.425 20 30 BEEDMO CCCC(N)=[NH+]OCc1ccc(C#N)s1 ZINC001353922629 983079843 /nfs/dbraw/zinc/07/98/43/983079843.db2.gz PJKLYKSIWYICEN-UHFFFAOYSA-N 1 1 223.301 2.418 20 30 BEEDMO CCc1[nH]c(CN2CCC[C@@H](C#N)C2)c(C)[nH+]1 ZINC001203246916 983302773 /nfs/dbraw/zinc/30/27/73/983302773.db2.gz NSHWUUFZYPPUNG-NSHDSACASA-N 1 1 232.331 2.016 20 30 BEEDMO Cc1cc(N)[nH+]cc1-c1nccc(C#N)c1C ZINC001242072559 983310765 /nfs/dbraw/zinc/31/07/65/983310765.db2.gz MEAFHBYFAZISEJ-UHFFFAOYSA-N 1 1 224.267 2.214 20 30 BEEDMO Cc1cc(N)[nH+]cc1-c1ccnc2[nH]cc(C#N)c21 ZINC001242089289 983335891 /nfs/dbraw/zinc/33/58/91/983335891.db2.gz DJNVCOPNGYYNBA-UHFFFAOYSA-N 1 1 249.277 2.387 20 30 BEEDMO C=CC[N@H+](C)C[C@H](O)c1cccc(C)c1 ZINC001354634721 983336078 /nfs/dbraw/zinc/33/60/78/983336078.db2.gz DFJHZEQXRZVORQ-ZDUSSCGKSA-N 1 1 205.301 2.146 20 30 BEEDMO 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C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001488653667 983686073 /nfs/dbraw/zinc/68/60/73/983686073.db2.gz FKTIIJSCFKBKRG-LBPRGKRZSA-N 1 1 238.375 2.141 20 30 BEEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001488653667 983686079 /nfs/dbraw/zinc/68/60/79/983686079.db2.gz FKTIIJSCFKBKRG-LBPRGKRZSA-N 1 1 238.375 2.141 20 30 BEEDMO C#CC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC001137048787 983694002 /nfs/dbraw/zinc/69/40/02/983694002.db2.gz ITBHUNIRTMYDMK-UHFFFAOYSA-N 1 1 239.322 2.408 20 30 BEEDMO C=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001490255718 983718058 /nfs/dbraw/zinc/71/80/58/983718058.db2.gz HNRJHOWXHKYDMU-CHWSQXEVSA-N 1 1 238.375 2.047 20 30 BEEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001490445484 983723993 /nfs/dbraw/zinc/72/39/93/983723993.db2.gz AQVIGRQCWBMCMH-MAUPQMMJSA-N 1 1 248.370 2.275 20 30 BEEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC=C)C1 ZINC001490544164 983727301 /nfs/dbraw/zinc/72/73/01/983727301.db2.gz OGKQMPUMNIDNFX-AWEZNQCLSA-N 1 1 248.370 2.131 20 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CC#CC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000364150731 347283689 /nfs/dbraw/zinc/28/36/89/347283689.db2.gz OVOYFIKZLBXBSG-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO CC[N@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000419222472 192106581 /nfs/dbraw/zinc/10/65/81/192106581.db2.gz XFXMMKMDQTXGJE-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO CC[N@@H+](CCC#N)C[C@H](CC(C)C)OC ZINC000419222472 192106582 /nfs/dbraw/zinc/10/65/82/192106582.db2.gz XFXMMKMDQTXGJE-LBPRGKRZSA-N 1 1 212.337 2.283 20 30 BEEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccccc1C#N ZINC000189679723 347307910 /nfs/dbraw/zinc/30/79/10/347307910.db2.gz DBHCWBVKAUMMRD-OAHLLOKOSA-N 1 1 244.338 2.295 20 30 BEEDMO C=CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000276501515 166257883 /nfs/dbraw/zinc/25/78/83/166257883.db2.gz WGHQJQPSTSSKDL-CQSZACIVSA-N 1 1 219.328 2.402 20 30 BEEDMO C=CCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000276809698 166259791 /nfs/dbraw/zinc/25/97/91/166259791.db2.gz XJTIIWXQXAUVQV-UHFFFAOYSA-N 1 1 222.336 2.041 20 30 BEEDMO C=CCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000276809698 166259793 /nfs/dbraw/zinc/25/97/93/166259793.db2.gz XJTIIWXQXAUVQV-UHFFFAOYSA-N 1 1 222.336 2.041 20 30 BEEDMO C=CCCCC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC000590683390 347490326 /nfs/dbraw/zinc/49/03/26/347490326.db2.gz JZHSJRDUPITSGT-LBPRGKRZSA-N 1 1 225.332 2.370 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178437114 166259866 /nfs/dbraw/zinc/25/98/66/166259866.db2.gz ZPCCTWICNPBLMS-INIZCTEOSA-N 1 1 237.368 2.432 20 30 BEEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCSC1 ZINC000580686890 365879056 /nfs/dbraw/zinc/87/90/56/365879056.db2.gz MQQFGWRXXIJUOK-LLVKDONJSA-N 1 1 212.362 2.364 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000177225562 166260304 /nfs/dbraw/zinc/26/03/04/166260304.db2.gz OIGVDLHXQSDLFA-UHFFFAOYSA-N 1 1 221.300 2.409 20 30 BEEDMO C=CC1CC[NH+](Cc2nc(CCC)no2)CC1 ZINC000111259025 347473080 /nfs/dbraw/zinc/47/30/80/347473080.db2.gz LNSAVDYRQJANDQ-UHFFFAOYSA-N 1 1 235.331 2.420 20 30 BEEDMO C=CCCC[N@@H+]1C[C@H](N)[C@@H](c2ccccc2)C1 ZINC000302323703 347516417 /nfs/dbraw/zinc/51/64/17/347516417.db2.gz FFSDORSFURIWCT-CABCVRRESA-N 1 1 230.355 2.379 20 30 BEEDMO C=CCCCN1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302323703 347516418 /nfs/dbraw/zinc/51/64/18/347516418.db2.gz FFSDORSFURIWCT-CABCVRRESA-N 1 1 230.355 2.379 20 30 BEEDMO CC#CC[N@@H+](C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000293022490 347518439 /nfs/dbraw/zinc/51/84/39/347518439.db2.gz FOCUIADDYWWWBD-JTQLQIEISA-N 1 1 249.310 2.391 20 30 BEEDMO CC#CC[N@H+](C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000293022490 347518442 /nfs/dbraw/zinc/51/84/42/347518442.db2.gz FOCUIADDYWWWBD-JTQLQIEISA-N 1 1 249.310 2.391 20 30 BEEDMO C[C@@H]1[C@H](O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000590762212 347527089 /nfs/dbraw/zinc/52/70/89/347527089.db2.gz BNEZMLYVYFHRPY-VXGBXAGGSA-N 1 1 224.348 2.162 20 30 BEEDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)CCC#N ZINC000591011277 347605434 /nfs/dbraw/zinc/60/54/34/347605434.db2.gz NUNMCSJVWLMMQG-RYUDHWBXSA-N 1 1 210.321 2.037 20 30 BEEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]2COC[C@@H]21 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ZINC000591744311 347695445 /nfs/dbraw/zinc/69/54/45/347695445.db2.gz QSQWKHWQVBACGE-OLZOCXBDSA-N 1 1 200.285 2.220 20 30 BEEDMO C=CCC[N@@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000338563056 166267542 /nfs/dbraw/zinc/26/75/42/166267542.db2.gz HYUIGUCQFWCIHN-STQMWFEESA-N 1 1 240.416 2.074 20 30 BEEDMO C=CCCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000338563056 166267544 /nfs/dbraw/zinc/26/75/44/166267544.db2.gz HYUIGUCQFWCIHN-STQMWFEESA-N 1 1 240.416 2.074 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000591473605 347667418 /nfs/dbraw/zinc/66/74/18/347667418.db2.gz IPVWNYYJSYIOQA-CORIIIEPSA-N 1 1 244.338 2.322 20 30 BEEDMO CCCC[N@H+](CCOC)Cc1ccncc1C#N ZINC000592071063 347727215 /nfs/dbraw/zinc/72/72/15/347727215.db2.gz YAZPDVAPMXFWKH-UHFFFAOYSA-N 1 1 247.342 2.202 20 30 BEEDMO CCCC[N@@H+](CCOC)Cc1ccncc1C#N ZINC000592071063 347727218 /nfs/dbraw/zinc/72/72/18/347727218.db2.gz YAZPDVAPMXFWKH-UHFFFAOYSA-N 1 1 247.342 2.202 20 30 BEEDMO C=CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592070264 347727464 /nfs/dbraw/zinc/72/74/64/347727464.db2.gz JAKDXYBKWNFKGR-UHFFFAOYSA-N 1 1 227.311 2.351 20 30 BEEDMO C[C@H](C#N)C[N@@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592088076 347731184 /nfs/dbraw/zinc/73/11/84/347731184.db2.gz UAUMNRXVNFCGOY-OLZOCXBDSA-N 1 1 236.359 2.427 20 30 BEEDMO C[C@H]1CSCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592115277 347735710 /nfs/dbraw/zinc/73/57/10/347735710.db2.gz XPDJDNYVMYNWAR-LLVKDONJSA-N 1 1 247.367 2.138 20 30 BEEDMO C[C@H]1CSCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592115277 347735711 /nfs/dbraw/zinc/73/57/11/347735711.db2.gz XPDJDNYVMYNWAR-LLVKDONJSA-N 1 1 247.367 2.138 20 30 BEEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592125108 347738455 /nfs/dbraw/zinc/73/84/55/347738455.db2.gz PSDKTTWVLLWEJG-UTUOFQBUSA-N 1 1 229.327 2.430 20 30 BEEDMO N#Cc1cnccc1Cn1c[nH+]c2c1CCCC2 ZINC000592127202 347739025 /nfs/dbraw/zinc/73/90/25/347739025.db2.gz WAKSADKGYSGKRG-UHFFFAOYSA-N 1 1 238.294 2.077 20 30 BEEDMO C[C@H](CC#N)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592445828 347780009 /nfs/dbraw/zinc/78/00/09/347780009.db2.gz RQHQSJLOTACPSE-LLVKDONJSA-N 1 1 213.284 2.144 20 30 BEEDMO Cc1ccc(C)c(C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147800 347741113 /nfs/dbraw/zinc/74/11/13/347741113.db2.gz OSKMYMGLBLCIHD-OAHLLOKOSA-N 1 1 244.338 2.154 20 30 BEEDMO CCc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150924 347742614 /nfs/dbraw/zinc/74/26/14/347742614.db2.gz JVHLENRTWWXLAS-OAHLLOKOSA-N 1 1 244.338 2.099 20 30 BEEDMO Cc1cccc(C)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150983 347742686 /nfs/dbraw/zinc/74/26/86/347742686.db2.gz LNQBKHVTHGWUCO-HNNXBMFYSA-N 1 1 244.338 2.154 20 30 BEEDMO CCc1ccccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592154551 347744810 /nfs/dbraw/zinc/74/48/10/347744810.db2.gz TYYQACFVJQJVIN-OAHLLOKOSA-N 1 1 244.338 2.099 20 30 BEEDMO C[C@@H]1CC2(C[N@H+]1CCCC#N)CCOCC2 ZINC000592184407 347759990 /nfs/dbraw/zinc/75/99/90/347759990.db2.gz PMBGKYOKXBWWQQ-GFCCVEGCSA-N 1 1 222.332 2.181 20 30 BEEDMO C[C@@H]1CC2(C[N@H+]1CC1(C#N)CC1)CCOCC2 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ZINC000593115353 347861683 /nfs/dbraw/zinc/86/16/83/347861683.db2.gz ISSWSCLQZCPAKC-SNVBAGLBSA-N 1 1 214.259 2.411 20 30 BEEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114466 347861886 /nfs/dbraw/zinc/86/18/86/347861886.db2.gz BZLFZABSXOKSJX-GHMZBOCLSA-N 1 1 239.269 2.161 20 30 BEEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593114466 347861889 /nfs/dbraw/zinc/86/18/89/347861889.db2.gz BZLFZABSXOKSJX-GHMZBOCLSA-N 1 1 239.269 2.161 20 30 BEEDMO CC(C)C[N@@H+](C)CCCNc1ccc(C#N)nc1 ZINC000593481081 347896470 /nfs/dbraw/zinc/89/64/70/347896470.db2.gz VRWQRQWVYPCFMY-UHFFFAOYSA-N 1 1 246.358 2.343 20 30 BEEDMO CC(C)C[N@H+](C)CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000593646926 347926285 /nfs/dbraw/zinc/92/62/85/347926285.db2.gz UDBRZFQRUDHQLO-ZIAGYGMSSA-N 1 1 237.391 2.246 20 30 BEEDMO CC(C)C[N@@H+](C)CCCN[C@@H]1CC[C@@H](C#N)C1 ZINC000593646926 347926290 /nfs/dbraw/zinc/92/62/90/347926290.db2.gz UDBRZFQRUDHQLO-ZIAGYGMSSA-N 1 1 237.391 2.246 20 30 BEEDMO CC(C)C[N@H+](C)CCCN[C@@H]1CC[C@H](C#N)C1 ZINC000593646925 347926469 /nfs/dbraw/zinc/92/64/69/347926469.db2.gz UDBRZFQRUDHQLO-UONOGXRCSA-N 1 1 237.391 2.246 20 30 BEEDMO CC(C)C[N@@H+](C)CCCN[C@@H]1CC[C@H](C#N)C1 ZINC000593646925 347926471 /nfs/dbraw/zinc/92/64/71/347926471.db2.gz UDBRZFQRUDHQLO-UONOGXRCSA-N 1 1 237.391 2.246 20 30 BEEDMO CC[C@H](C#N)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000593737186 347939482 /nfs/dbraw/zinc/93/94/82/347939482.db2.gz SOFQGIFIZDBQQR-SNVBAGLBSA-N 1 1 242.282 2.131 20 30 BEEDMO CCn1nccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593652677 347921653 /nfs/dbraw/zinc/92/16/53/347921653.db2.gz GSUZMWIYDIZZFZ-UHFFFAOYSA-N 1 1 232.331 2.077 20 30 BEEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccco2)no1 ZINC000593943222 347976946 /nfs/dbraw/zinc/97/69/46/347976946.db2.gz KWGUBTFXNBCJCS-VIFPVBQESA-N 1 1 246.270 2.413 20 30 BEEDMO CC(C)(CC[N@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000594016481 347990582 /nfs/dbraw/zinc/99/05/82/347990582.db2.gz YJWJSIJRGCNUSQ-AWEZNQCLSA-N 1 1 236.359 2.163 20 30 BEEDMO 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ZINC000383144388 367600951 /nfs/dbraw/zinc/60/09/51/367600951.db2.gz GEIFDNJNVKZUFT-UHFFFAOYSA-N 1 1 202.248 2.267 20 30 BEEDMO C=CC(C)(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000581648589 367651332 /nfs/dbraw/zinc/65/13/32/367651332.db2.gz AXXDPUPGBNXZRD-UHFFFAOYSA-N 1 1 247.342 2.048 20 30 BEEDMO C[C@H]1[C@@H](O)CCC[N@H+]1CCCC(C)(C)C#N ZINC000385045343 367778966 /nfs/dbraw/zinc/77/89/66/367778966.db2.gz RWGKODKYLMKQCV-RYUDHWBXSA-N 1 1 224.348 2.162 20 30 BEEDMO C[C@H]1[C@@H](CO)CC[N@H+]1CCCC(C)(C)C#N ZINC000385953668 367889152 /nfs/dbraw/zinc/88/91/52/367889152.db2.gz NBAWVPDWPIRHHH-NWDGAFQWSA-N 1 1 224.348 2.019 20 30 BEEDMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC(C)(C)C#N ZINC000386251133 367939735 /nfs/dbraw/zinc/93/97/35/367939735.db2.gz JERDOOIBNNCZLN-RYUDHWBXSA-N 1 1 224.348 2.019 20 30 BEEDMO C=CC[NH+](CC=C)Cc1c(C)noc1C ZINC000024547667 368005228 /nfs/dbraw/zinc/00/52/28/368005228.db2.gz KUJABEARVWTBCL-UHFFFAOYSA-N 1 1 206.289 2.465 20 30 BEEDMO Cc1c[nH]c(Nc2cc(C#N)ccc2[N+](=O)[O-])[nH+]1 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/nfs/dbraw/zinc/81/07/04/368810704.db2.gz PQJIDAGBHITALJ-UHFFFAOYSA-N 1 1 227.267 2.178 20 30 BEEDMO CCN1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618570499 369173315 /nfs/dbraw/zinc/17/33/15/369173315.db2.gz LNCGYDVAFMNVEM-KFWWJZLASA-N 1 1 249.402 2.390 20 30 BEEDMO Cc1noc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000618611236 369183568 /nfs/dbraw/zinc/18/35/68/369183568.db2.gz FJXHCPMECPQLGS-LSJOCFKGSA-N 1 1 234.303 2.111 20 30 BEEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc[nH]1 ZINC000618742182 369207435 /nfs/dbraw/zinc/20/74/35/369207435.db2.gz KMPYTLJWFNCLBX-ZDUSSCGKSA-N 1 1 238.294 2.058 20 30 BEEDMO C=CCC1(NC(=O)C[N@H+](C)CCC)CCCC1 ZINC000619104492 369283704 /nfs/dbraw/zinc/28/37/04/369283704.db2.gz MXBWWEDRCSALHE-UHFFFAOYSA-N 1 1 238.375 2.333 20 30 BEEDMO C=C1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459344271 203263657 /nfs/dbraw/zinc/26/36/57/203263657.db2.gz IETPMUNBKJMCMV-UHFFFAOYSA-N 1 1 245.326 2.212 20 30 BEEDMO C[C@@H](O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000459356922 203268194 /nfs/dbraw/zinc/26/81/94/203268194.db2.gz LQIOQQKWJUWVQT-BPLDGKMQSA-N 1 1 244.338 2.139 20 30 BEEDMO CC[N@@H+](CCC#N)CCOCC1CCCC1 ZINC000459363035 203268971 /nfs/dbraw/zinc/26/89/71/203268971.db2.gz RDNSQYHKGAGVSA-UHFFFAOYSA-N 1 1 224.348 2.429 20 30 BEEDMO CC[N@H+](CCC#N)CCOCC1CCCC1 ZINC000459363035 203268974 /nfs/dbraw/zinc/26/89/74/203268974.db2.gz RDNSQYHKGAGVSA-UHFFFAOYSA-N 1 1 224.348 2.429 20 30 BEEDMO C=CC[N@H+](CCc1ccco1)CC1(O)CCC1 ZINC000459407906 203277887 /nfs/dbraw/zinc/27/78/87/203277887.db2.gz WWNQHUVLKXTQRY-UHFFFAOYSA-N 1 1 235.327 2.225 20 30 BEEDMO C=CC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459585419 203307762 /nfs/dbraw/zinc/30/77/62/203307762.db2.gz PCZLNVPPNHBPRM-ZDUSSCGKSA-N 1 1 225.332 2.226 20 30 BEEDMO CO[C@H](C[N@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000400108393 369341836 /nfs/dbraw/zinc/34/18/36/369341836.db2.gz DPOYZXSLVGOCBA-DGCLKSJQSA-N 1 1 222.332 2.037 20 30 BEEDMO C=CC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459589224 203310598 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/nfs/dbraw/zinc/42/91/29/369429129.db2.gz NMEOFJWVWNSAQU-UHFFFAOYSA-N 1 1 221.329 2.269 20 30 BEEDMO C[N@@H+](Cc1ccns1)CC1(CC#N)CC1 ZINC000404431756 369429136 /nfs/dbraw/zinc/42/91/36/369429136.db2.gz NMEOFJWVWNSAQU-UHFFFAOYSA-N 1 1 221.329 2.269 20 30 BEEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000402810193 369393110 /nfs/dbraw/zinc/39/31/10/369393110.db2.gz DKXZVVCBJLNOFE-LBPRGKRZSA-N 1 1 222.332 2.181 20 30 BEEDMO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000619511272 369453734 /nfs/dbraw/zinc/45/37/34/369453734.db2.gz XZFMNKHVNGGNAZ-KGLIPLIRSA-N 1 1 238.375 2.409 20 30 BEEDMO CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000619511272 369453738 /nfs/dbraw/zinc/45/37/38/369453738.db2.gz XZFMNKHVNGGNAZ-KGLIPLIRSA-N 1 1 238.375 2.409 20 30 BEEDMO CSCCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000304198318 369460263 /nfs/dbraw/zinc/46/02/63/369460263.db2.gz VKAPPRIZTIKOKW-UHFFFAOYSA-N 1 1 235.356 2.138 20 30 BEEDMO C=CCC[C@H](O)C[N@H+](C)C1CC(C)(C)C1 ZINC000459749279 203354378 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369548374 /nfs/dbraw/zinc/54/83/74/369548374.db2.gz PVYUVIHWQVZRSA-STQMWFEESA-N 1 1 239.359 2.472 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CCC)C1 ZINC000619719070 369548716 /nfs/dbraw/zinc/54/87/16/369548716.db2.gz QTLXOJPSALXUJE-NWDGAFQWSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](CCC)C1 ZINC000619719070 369548720 /nfs/dbraw/zinc/54/87/20/369548720.db2.gz QTLXOJPSALXUJE-NWDGAFQWSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CCC)C1 ZINC000619719072 369549076 /nfs/dbraw/zinc/54/90/76/369549076.db2.gz QTLXOJPSALXUJE-VXGBXAGGSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](CCC)C1 ZINC000619719072 369549077 /nfs/dbraw/zinc/54/90/77/369549077.db2.gz QTLXOJPSALXUJE-VXGBXAGGSA-N 1 1 225.332 2.226 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000619719852 369550003 /nfs/dbraw/zinc/55/00/03/369550003.db2.gz IGNLPPKUQPMHNA-GRYCIOLGSA-N 1 1 225.332 2.082 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000619720572 369551124 /nfs/dbraw/zinc/55/11/24/369551124.db2.gz ROPITNQGKZZXGT-BZPMIXESSA-N 1 1 237.343 2.226 20 30 BEEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000619720572 369551129 /nfs/dbraw/zinc/55/11/29/369551129.db2.gz ROPITNQGKZZXGT-BZPMIXESSA-N 1 1 237.343 2.226 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000619722165 369552745 /nfs/dbraw/zinc/55/27/45/369552745.db2.gz PHCZMKIKXGLAJC-RYUDHWBXSA-N 1 1 225.332 2.082 20 30 BEEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)C)C1 ZINC000619722165 369552750 /nfs/dbraw/zinc/55/27/50/369552750.db2.gz PHCZMKIKXGLAJC-RYUDHWBXSA-N 1 1 225.332 2.082 20 30 BEEDMO CC(C)OCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250588773 369556878 /nfs/dbraw/zinc/55/68/78/369556878.db2.gz QBVUWKKBBPIZAF-NWDGAFQWSA-N 1 1 210.321 2.035 20 30 BEEDMO CC(C)OCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250588773 369556884 /nfs/dbraw/zinc/55/68/84/369556884.db2.gz QBVUWKKBBPIZAF-NWDGAFQWSA-N 1 1 210.321 2.035 20 30 BEEDMO CC[N@H+]1CCCC[C@@H]1CNc1cccnc1C#N ZINC000274068541 369637807 /nfs/dbraw/zinc/63/78/07/369637807.db2.gz PORRPYRJHCGGKM-GFCCVEGCSA-N 1 1 244.342 2.240 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972632 369730446 /nfs/dbraw/zinc/73/04/46/369730446.db2.gz HRNCCWYMGNAAOE-TUKIKUTGSA-N 1 1 242.322 2.197 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)CCS1 ZINC000602633277 369831740 /nfs/dbraw/zinc/83/17/40/369831740.db2.gz GBJIYYMMQVAEON-NSHDSACASA-N 1 1 247.367 2.281 20 30 BEEDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC000602478138 369793073 /nfs/dbraw/zinc/79/30/73/369793073.db2.gz VENFUSUJSSZHKS-BETUJISGSA-N 1 1 227.311 2.041 20 30 BEEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)C[C@H]1C ZINC000602474007 369793456 /nfs/dbraw/zinc/79/34/56/369793456.db2.gz NORNMJJYLQNINX-PHIMTYICSA-N 1 1 215.300 2.041 20 30 BEEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602482022 369794364 /nfs/dbraw/zinc/79/43/64/369794364.db2.gz 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C=CCC[C@H](NC[C@@H](C)C[NH3+])c1ccco1 ZINC000423310341 387146386 /nfs/dbraw/zinc/14/63/86/387146386.db2.gz RSZXXUXLRSVTMW-RYUDHWBXSA-N 1 1 222.332 2.471 20 30 BEEDMO C=CCC[C@@H](CCC)[NH2+]C[C@H](N)C1CC1 ZINC000423311273 387147952 /nfs/dbraw/zinc/14/79/52/387147952.db2.gz BQFUYMMMZHRHAK-OLZOCXBDSA-N 1 1 210.365 2.448 20 30 BEEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCCC2(CC2)C1 ZINC000186987073 387158505 /nfs/dbraw/zinc/15/85/05/387158505.db2.gz GLFZTGQHMNENAC-LBPRGKRZSA-N 1 1 217.316 2.306 20 30 BEEDMO N#CCC[C@@H](C#N)C[N@H+]1CCCC2(CC2)C1 ZINC000186987073 387158513 /nfs/dbraw/zinc/15/85/13/387158513.db2.gz GLFZTGQHMNENAC-LBPRGKRZSA-N 1 1 217.316 2.306 20 30 BEEDMO CCc1ccc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418137608 387174232 /nfs/dbraw/zinc/17/42/32/387174232.db2.gz FAZMVZRFTNXOHY-UHFFFAOYSA-N 1 1 229.327 2.427 20 30 BEEDMO CCN(CC)[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000062979910 387189886 /nfs/dbraw/zinc/18/98/86/387189886.db2.gz NSSVXDPYEHCIOO-CYBMUJFWSA-N 1 1 223.364 2.096 20 30 BEEDMO CCN(CC)[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000062979910 387189890 /nfs/dbraw/zinc/18/98/90/387189890.db2.gz NSSVXDPYEHCIOO-CYBMUJFWSA-N 1 1 223.364 2.096 20 30 BEEDMO CC[N@H+](CCC#N)CCc1ccc(OC)cc1 ZINC000088218838 387136933 /nfs/dbraw/zinc/13/69/33/387136933.db2.gz PFTCQOLDMZGUBZ-UHFFFAOYSA-N 1 1 232.327 2.473 20 30 BEEDMO CC[N@@H+](CCC#N)CCc1ccc(OC)cc1 ZINC000088218838 387136936 /nfs/dbraw/zinc/13/69/36/387136936.db2.gz PFTCQOLDMZGUBZ-UHFFFAOYSA-N 1 1 232.327 2.473 20 30 BEEDMO CC[N@@H+](CCC(=O)OC)CC(C)(C)CCC#N ZINC000092380310 387211124 /nfs/dbraw/zinc/21/11/24/387211124.db2.gz PPKPVPHDUOHYCM-UHFFFAOYSA-N 1 1 240.347 2.201 20 30 BEEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H](C)C1 ZINC000187919816 387220481 /nfs/dbraw/zinc/22/04/81/387220481.db2.gz RRWCKGPTPNRNJR-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000424645142 387233067 /nfs/dbraw/zinc/23/30/67/387233067.db2.gz OKJOVPIFTOFGKG-LBPRGKRZSA-N 1 1 240.391 2.435 20 30 BEEDMO 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210.365 2.319 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CNCCCO1 ZINC000423496050 387338333 /nfs/dbraw/zinc/33/83/33/387338333.db2.gz VYCIDAILAITLMK-KGLIPLIRSA-N 1 1 240.391 2.089 20 30 BEEDMO C=CCCCC[C@H](C)[NH2+]C[C@H]1CNCCCO1 ZINC000423496051 387339202 /nfs/dbraw/zinc/33/92/02/387339202.db2.gz VYCIDAILAITLMK-UONOGXRCSA-N 1 1 240.391 2.089 20 30 BEEDMO C=CCC[C@H](CCC)[NH2+]C[C@H]1CNCCCO1 ZINC000423506528 387345044 /nfs/dbraw/zinc/34/50/44/387345044.db2.gz HBUCONDSEQDTFF-UONOGXRCSA-N 1 1 240.391 2.089 20 30 BEEDMO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CNCCCO1 ZINC000423506527 387345301 /nfs/dbraw/zinc/34/53/01/387345301.db2.gz HBUCONDSEQDTFF-KGLIPLIRSA-N 1 1 240.391 2.089 20 30 BEEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1O ZINC000352661761 387426908 /nfs/dbraw/zinc/42/69/08/387426908.db2.gz UZAMJOYHQSAXBO-NEPJUHHUSA-N 1 1 224.348 2.162 20 30 BEEDMO C#CCC[N@H+](CCOC)CCc1ccccc1 ZINC000270582688 387433017 /nfs/dbraw/zinc/43/30/17/387433017.db2.gz IZUVYDQHZXXWBC-UHFFFAOYSA-N 1 1 231.339 2.201 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C=CCCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000267272634 387411298 /nfs/dbraw/zinc/41/12/98/387411298.db2.gz SUBBAOKXMMJVAJ-UHFFFAOYSA-N 1 1 233.315 2.442 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269632189 387421066 /nfs/dbraw/zinc/42/10/66/387421066.db2.gz LXRAMBSPDRCUDP-SNVBAGLBSA-N 1 1 225.723 2.342 20 30 BEEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000269632189 387421070 /nfs/dbraw/zinc/42/10/70/387421070.db2.gz LXRAMBSPDRCUDP-SNVBAGLBSA-N 1 1 225.723 2.342 20 30 BEEDMO C=C(Cl)CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269632189 387421075 /nfs/dbraw/zinc/42/10/75/387421075.db2.gz LXRAMBSPDRCUDP-SNVBAGLBSA-N 1 1 225.723 2.342 20 30 BEEDMO COC[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000269602960 387421923 /nfs/dbraw/zinc/42/19/23/387421923.db2.gz NFPVPACZARVVTH-CQSZACIVSA-N 1 1 247.313 2.146 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464485 387543172 /nfs/dbraw/zinc/54/31/72/387543172.db2.gz JJHFKEZOOORYPV-NSHDSACASA-N 1 1 233.315 2.312 20 30 BEEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)C[NH+](C)C ZINC000293380611 387512706 /nfs/dbraw/zinc/51/27/06/387512706.db2.gz IHHAGKYVLTUAKX-OLZOCXBDSA-N 1 1 245.370 2.407 20 30 BEEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000293464153 387513196 /nfs/dbraw/zinc/51/31/96/387513196.db2.gz QKFNIXNMPMCTEF-NEPJUHHUSA-N 1 1 230.311 2.277 20 30 BEEDMO C[C@@H](NC[C@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000293380613 387513426 /nfs/dbraw/zinc/51/34/26/387513426.db2.gz IHHAGKYVLTUAKX-QWHCGFSZSA-N 1 1 245.370 2.407 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)NCCCn1cc[nH+]c1C ZINC000276212658 387520226 /nfs/dbraw/zinc/52/02/26/387520226.db2.gz WNTYBILUQMBDOA-AWEZNQCLSA-N 1 1 249.358 2.300 20 30 BEEDMO CC[C@]1(CO)CCC[N@H+]1CC#Cc1ccccc1 ZINC000276904730 387524572 /nfs/dbraw/zinc/52/45/72/387524572.db2.gz DYZINPWDMNRJQQ-MRXNPFEDSA-N 1 1 243.350 2.275 20 30 BEEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000527191509 387524694 /nfs/dbraw/zinc/52/46/94/387524694.db2.gz ADUMPSROUPFHKA-OCCSQVGLSA-N 1 1 238.375 2.047 20 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CC(C)[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528400110 387594260 /nfs/dbraw/zinc/59/42/60/387594260.db2.gz KCWPTCDWVLMOSJ-QWHCGFSZSA-N 1 1 236.359 2.019 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430275228 387605276 /nfs/dbraw/zinc/60/52/76/387605276.db2.gz AGLHQYZZYUTOHK-AAEUAGOBSA-N 1 1 209.333 2.212 20 30 BEEDMO C=C(C)C[N@H+](CCC(=O)NC)Cc1ccccc1 ZINC000279394844 387566151 /nfs/dbraw/zinc/56/61/51/387566151.db2.gz UODHVACCBCBGGY-UHFFFAOYSA-N 1 1 246.354 2.201 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454951 387568464 /nfs/dbraw/zinc/56/84/64/387568464.db2.gz RELWMCRCICZAEI-ZIAGYGMSSA-N 1 1 248.370 2.061 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426454948 387569615 /nfs/dbraw/zinc/56/96/15/387569615.db2.gz RELWMCRCICZAEI-KBPBESRZSA-N 1 1 248.370 2.061 20 30 BEEDMO C=C(CC)C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000426528360 387578741 /nfs/dbraw/zinc/57/87/41/387578741.db2.gz ZAKWQJAPVZPIKH-CYBMUJFWSA-N 1 1 211.349 2.437 20 30 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CC(C)(C#N)CC[N@H+]1CC[C@H](CCCO)C1 ZINC000452123490 387748239 /nfs/dbraw/zinc/74/82/39/387748239.db2.gz PSWDJQMTKNPJJD-LBPRGKRZSA-N 1 1 224.348 2.021 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441363775 387749304 /nfs/dbraw/zinc/74/93/04/387749304.db2.gz YGLCSSBDKDTLHR-QWHCGFSZSA-N 1 1 227.348 2.078 20 30 BEEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1COC ZINC000452047197 387714591 /nfs/dbraw/zinc/71/45/91/387714591.db2.gz ZNMJXLWCMUZYJM-CYBMUJFWSA-N 1 1 227.348 2.080 20 30 BEEDMO CS[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000294155574 387770291 /nfs/dbraw/zinc/77/02/91/387770291.db2.gz ALZRDWGYYHLTEL-CYBMUJFWSA-N 1 1 232.352 2.496 20 30 BEEDMO COC[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000294163974 387772233 /nfs/dbraw/zinc/77/22/33/387772233.db2.gz IPOCPCJAPXRRAO-OAHLLOKOSA-N 1 1 244.338 2.417 20 30 BEEDMO N#CCCCC[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000422972091 387821819 /nfs/dbraw/zinc/82/18/19/387821819.db2.gz KPMWAEGQULRLAC-KGLIPLIRSA-N 1 1 229.327 2.415 20 30 BEEDMO CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442785947 387840055 /nfs/dbraw/zinc/84/00/55/387840055.db2.gz WLTPOTHJAAPORC-RBSFLKMASA-N 1 1 249.402 2.389 20 30 BEEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000442792972 387842133 /nfs/dbraw/zinc/84/21/33/387842133.db2.gz AILOPUUSGWVHHE-MBNYWOFBSA-N 1 1 238.375 2.140 20 30 BEEDMO CC(C)c1nc([C@H](C)N[C@@H]2CC[C@H](C#N)C2)n[nH]1 ZINC000442818949 387846159 /nfs/dbraw/zinc/84/61/59/387846159.db2.gz ADSUNOWRFULTQI-GARJFASQSA-N 1 1 247.346 2.271 20 30 BEEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)[nH]1 ZINC000442818949 387846164 /nfs/dbraw/zinc/84/61/64/387846164.db2.gz ADSUNOWRFULTQI-GARJFASQSA-N 1 1 247.346 2.271 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC001172492392 974839784 /nfs/dbraw/zinc/83/97/84/974839784.db2.gz KVVXAOIMHFWJAR-UPJWGTAASA-N 1 1 224.348 2.162 20 30 BEEDMO C=C(CC)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433081955 387862880 /nfs/dbraw/zinc/86/28/80/387862880.db2.gz JASRSOWCCKUHJN-OAHLLOKOSA-N 1 1 233.355 2.488 20 30 BEEDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528346150 387904131 /nfs/dbraw/zinc/90/41/31/387904131.db2.gz USWGFGPTXOVVOH-OLZOCXBDSA-N 1 1 236.359 2.163 20 30 BEEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)C1CC1 ZINC000444687411 387908547 /nfs/dbraw/zinc/90/85/47/387908547.db2.gz VAGWSVXSMSUYCQ-CYBMUJFWSA-N 1 1 225.332 2.180 20 30 BEEDMO C[C@H](CCCC#N)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172492147 974839910 /nfs/dbraw/zinc/83/99/10/974839910.db2.gz JBAQGTOHYBRKBY-GHMZBOCLSA-N 1 1 246.301 2.018 20 30 BEEDMO C=CCC[C@H](NCCC[NH3+])c1ccco1 ZINC000423184278 387969288 /nfs/dbraw/zinc/96/92/88/387969288.db2.gz IDDQLCBXNRDFSN-NSHDSACASA-N 1 1 208.305 2.225 20 30 BEEDMO CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCC[C@H]21 ZINC000424335544 387978415 /nfs/dbraw/zinc/97/84/15/387978415.db2.gz WWTVIOWMCXXKFJ-VYDRJRHOSA-N 1 1 247.386 2.141 20 30 BEEDMO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439274309 387990492 /nfs/dbraw/zinc/99/04/92/387990492.db2.gz OQZGPFDJFMXKPP-MJBXVCDLSA-N 1 1 241.375 2.467 20 30 BEEDMO C=C(CC)C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000439442888 387998491 /nfs/dbraw/zinc/99/84/91/387998491.db2.gz TUARZOOPSDFLAJ-OLZOCXBDSA-N 1 1 237.343 2.023 20 30 BEEDMO C=C(CC)C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000439442888 387998494 /nfs/dbraw/zinc/99/84/94/387998494.db2.gz TUARZOOPSDFLAJ-OLZOCXBDSA-N 1 1 237.343 2.023 20 30 BEEDMO C[C@H]1CC[N@@H+](CCCC#N)C[C@H]1n1ccnc1 ZINC000246306618 388030618 /nfs/dbraw/zinc/03/06/18/388030618.db2.gz QGQGXFQNKHMABN-QWHCGFSZSA-N 1 1 232.331 2.070 20 30 BEEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(C)cn1 ZINC000447271224 388060380 /nfs/dbraw/zinc/06/03/80/388060380.db2.gz PJQWSMSRTFEFDN-UHFFFAOYSA-N 1 1 247.342 2.227 20 30 BEEDMO C=CCC[C@H](O)C[N@@H+](CC1CC1)C(C)C ZINC000533358023 388062554 /nfs/dbraw/zinc/06/25/54/388062554.db2.gz GTGVLGHOTBQAFY-ZDUSSCGKSA-N 1 1 211.349 2.434 20 30 BEEDMO CC#CCC[N@@H+]1CCCC[C@H]1COCC ZINC000453411608 388076852 /nfs/dbraw/zinc/07/68/52/388076852.db2.gz AGPJVCLKUKELNA-ZDUSSCGKSA-N 1 1 209.333 2.291 20 30 BEEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000447539201 388077019 /nfs/dbraw/zinc/07/70/19/388077019.db2.gz FUQCGXBMLLHQOB-CBBWQLFWSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000447539201 388077021 /nfs/dbraw/zinc/07/70/21/388077021.db2.gz FUQCGXBMLLHQOB-CBBWQLFWSA-N 1 1 247.386 2.285 20 30 BEEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000447539201 388077023 /nfs/dbraw/zinc/07/70/23/388077023.db2.gz FUQCGXBMLLHQOB-CBBWQLFWSA-N 1 1 247.386 2.285 20 30 BEEDMO C=CCCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000447813183 388093704 /nfs/dbraw/zinc/09/37/04/388093704.db2.gz QANQDKKNZJNZPN-UHFFFAOYSA-N 1 1 246.358 2.267 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000042493030 388094834 /nfs/dbraw/zinc/09/48/34/388094834.db2.gz ROWQCJSAEUIZHP-UHFFFAOYSA-N 1 1 218.300 2.027 20 30 BEEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447871809 388098965 /nfs/dbraw/zinc/09/89/65/388098965.db2.gz MICHTWHUHJBKAH-NWDGAFQWSA-N 1 1 211.349 2.434 20 30 BEEDMO C=C(C)CC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000453321318 388046309 /nfs/dbraw/zinc/04/63/09/388046309.db2.gz PRTDOYCHGRGIQH-ZDUSSCGKSA-N 1 1 242.326 2.450 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000449282774 388167450 /nfs/dbraw/zinc/16/74/50/388167450.db2.gz IRRDLYVLDNFQHR-MNOVXSKESA-N 1 1 213.321 2.272 20 30 BEEDMO CC[C@H](CC#N)[NH2+]Cc1cnccc1C ZINC000162427278 388167655 /nfs/dbraw/zinc/16/76/55/388167655.db2.gz XKLMFWMLUDHJFU-GFCCVEGCSA-N 1 1 203.289 2.172 20 30 BEEDMO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)OC ZINC000449298040 388169070 /nfs/dbraw/zinc/16/90/70/388169070.db2.gz IRRDLYVLDNFQHR-GHMZBOCLSA-N 1 1 213.321 2.272 20 30 BEEDMO Cc1cnc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000449303093 388170187 /nfs/dbraw/zinc/17/01/87/388170187.db2.gz WVLSXEBHMWGRNL-UHFFFAOYSA-N 1 1 221.329 2.235 20 30 BEEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249543811 388130399 /nfs/dbraw/zinc/13/03/99/388130399.db2.gz FSMZDFOKKJFXSI-TYNCELHUSA-N 1 1 244.338 2.322 20 30 BEEDMO CCC#C[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000646116588 388145591 /nfs/dbraw/zinc/14/55/91/388145591.db2.gz QPSPIJWARZXTMZ-CHWSQXEVSA-N 1 1 221.344 2.432 20 30 BEEDMO C#CC[N@H+](CCC1(O)CC1)Cc1ccc(F)cc1 ZINC000490714135 388248704 /nfs/dbraw/zinc/24/87/04/388248704.db2.gz NLVLUYNETQXAJF-UHFFFAOYSA-N 1 1 247.313 2.176 20 30 BEEDMO C=CCC[C@H]([NH2+][C@@H](C)C1CC1)C(=O)OCC ZINC000449659263 388249471 /nfs/dbraw/zinc/24/94/71/388249471.db2.gz VPXDSHVVEHSKOA-JQWIXIFHSA-N 1 1 225.332 2.272 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCCc1ccc(C)nc1 ZINC000490740474 388251937 /nfs/dbraw/zinc/25/19/37/388251937.db2.gz OZNUZFAWCLJVGT-UHFFFAOYSA-N 1 1 240.350 2.281 20 30 BEEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(F)F ZINC000449416292 388189622 /nfs/dbraw/zinc/18/96/22/388189622.db2.gz SRQJHTCXHZMTPQ-YIZRAAEISA-N 1 1 202.248 2.312 20 30 BEEDMO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000449404892 388195950 /nfs/dbraw/zinc/19/59/50/388195950.db2.gz GGEUSRQXHNAEEZ-WDEREUQCSA-N 1 1 247.346 2.100 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cnc(C2CC2)s1 ZINC000490897575 388259018 /nfs/dbraw/zinc/25/90/18/388259018.db2.gz COPBHTCVBKSTII-UHFFFAOYSA-N 1 1 220.341 2.476 20 30 BEEDMO C#CC[N@H+](CC)Cc1cnc(C2CC2)s1 ZINC000490897575 388259019 /nfs/dbraw/zinc/25/90/19/388259019.db2.gz COPBHTCVBKSTII-UHFFFAOYSA-N 1 1 220.341 2.476 20 30 BEEDMO CCN1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449446972 388208524 /nfs/dbraw/zinc/20/85/24/388208524.db2.gz VBXZIDDJEQNFSP-CBBWQLFWSA-N 1 1 249.402 2.389 20 30 BEEDMO C=C[C@H]1CCCC[N@H+]1CCOCC1CC1 ZINC000489408260 388210630 /nfs/dbraw/zinc/21/06/30/388210630.db2.gz RCDOJFPCTWHZPE-ZDUSSCGKSA-N 1 1 209.333 2.454 20 30 BEEDMO C=C[C@@H]1CCCCN1Cc1n[nH]c(C2CC2)n1 ZINC000489431906 388213614 /nfs/dbraw/zinc/21/36/14/388213614.db2.gz QSMGJBGQXJPPQF-LLVKDONJSA-N 1 1 232.331 2.223 20 30 BEEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000489499076 388218266 /nfs/dbraw/zinc/21/82/66/388218266.db2.gz NQAQNVAMTREYEK-QWHCGFSZSA-N 1 1 238.375 2.188 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000489499076 388218267 /nfs/dbraw/zinc/21/82/67/388218267.db2.gz NQAQNVAMTREYEK-QWHCGFSZSA-N 1 1 238.375 2.188 20 30 BEEDMO C=C[C@H]1CCCC[N@@H+]1CCOCC(F)F ZINC000489496042 388218399 /nfs/dbraw/zinc/21/83/99/388218399.db2.gz XOQWADIUWAQIOG-JTQLQIEISA-N 1 1 219.275 2.309 20 30 BEEDMO C=C[C@@H]1CCCC[N@@H+]1CCCc1nc(C)no1 ZINC000489498421 388218508 /nfs/dbraw/zinc/21/85/08/388218508.db2.gz QKNRSZUJLCEABN-GFCCVEGCSA-N 1 1 235.331 2.351 20 30 BEEDMO C#CC[N@@H+](CC)Cc1cccc(C#N)c1F ZINC000490917171 388259571 /nfs/dbraw/zinc/25/95/71/388259571.db2.gz WDJBNFKBFZAYGW-UHFFFAOYSA-N 1 1 216.259 2.152 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(C#N)c1F ZINC000490917171 388259572 /nfs/dbraw/zinc/25/95/72/388259572.db2.gz WDJBNFKBFZAYGW-UHFFFAOYSA-N 1 1 216.259 2.152 20 30 BEEDMO C#CC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000490556404 388240588 /nfs/dbraw/zinc/24/05/88/388240588.db2.gz GRAFJIFJPUFYBP-AWEZNQCLSA-N 1 1 229.323 2.335 20 30 BEEDMO C=CCC[C@H]([NH2+]C1CC(C)C1)C(=O)OCC ZINC000449655250 388248313 /nfs/dbraw/zinc/24/83/13/388248313.db2.gz GXUCUOMGAPRVSD-MCIGGMRASA-N 1 1 225.332 2.272 20 30 BEEDMO C#CC[N@H+](C)CCO[C@H]1CCCC[C@@H]1C ZINC000491316780 388284724 /nfs/dbraw/zinc/28/47/24/388284724.db2.gz XRRAEQXFKMGWON-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451650076 388287792 /nfs/dbraw/zinc/28/77/92/388287792.db2.gz UHMAKHJTJBJHNT-QWHCGFSZSA-N 1 1 241.400 2.141 20 30 BEEDMO N#CCCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451646956 388287794 /nfs/dbraw/zinc/28/77/94/388287794.db2.gz LEYPGLOYOVZHLM-LLVKDONJSA-N 1 1 210.346 2.118 20 30 BEEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451650077 388287807 /nfs/dbraw/zinc/28/78/07/388287807.db2.gz UHMAKHJTJBJHNT-STQMWFEESA-N 1 1 241.400 2.141 20 30 BEEDMO C#CC(C)(C)N(C)CCC[NH+]1CCCCC1 ZINC000491362448 388288461 /nfs/dbraw/zinc/28/84/61/388288461.db2.gz SATYAKBJRRSHIQ-UHFFFAOYSA-N 1 1 222.376 2.206 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000491371189 388288993 /nfs/dbraw/zinc/28/89/93/388288993.db2.gz DBDZJACKNBVIJT-LLVKDONJSA-N 1 1 245.351 2.387 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)cc1 ZINC000491374725 388289884 /nfs/dbraw/zinc/28/98/84/388289884.db2.gz SJPFHWJUJLMXQD-NSHDSACASA-N 1 1 203.285 2.149 20 30 BEEDMO C#CC[N@@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000491381552 388290591 /nfs/dbraw/zinc/29/05/91/388290591.db2.gz GAAQVBCJRMSHAR-UHFFFAOYSA-N 1 1 237.686 2.134 20 30 BEEDMO C#CC[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000491381552 388290592 /nfs/dbraw/zinc/29/05/92/388290592.db2.gz GAAQVBCJRMSHAR-UHFFFAOYSA-N 1 1 237.686 2.134 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451701803 388290928 /nfs/dbraw/zinc/29/09/28/388290928.db2.gz RKXSZICPHLKCHW-RDBSUJKOSA-N 1 1 223.360 2.436 20 30 BEEDMO C=C(C)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720243 388291606 /nfs/dbraw/zinc/29/16/06/388291606.db2.gz XWXJHVSQRFONNF-UPJWGTAASA-N 1 1 209.333 2.045 20 30 BEEDMO C=C(C)C[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000642097665 388300155 /nfs/dbraw/zinc/30/01/55/388300155.db2.gz OYUXZAXAITZOCD-UHFFFAOYSA-N 1 1 238.375 2.143 20 30 BEEDMO C#CC[N@H+](CCc1ccnn1CC)C1CCCC1 ZINC000491524192 388300953 /nfs/dbraw/zinc/30/09/53/388300953.db2.gz KDNYYGWFDPFLFY-UHFFFAOYSA-N 1 1 245.370 2.323 20 30 BEEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000451861663 388301969 /nfs/dbraw/zinc/30/19/69/388301969.db2.gz DBFRDGZDKKSMIC-GFCCVEGCSA-N 1 1 240.391 2.435 20 30 BEEDMO C#C[C@H](C)[N@H+](C)C[C@H]1CCO[C@H](CC)C1 ZINC000491546717 388303212 /nfs/dbraw/zinc/30/32/12/388303212.db2.gz WZAJGXWNACEAMA-RWMBFGLXSA-N 1 1 209.333 2.145 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000491553896 388303244 /nfs/dbraw/zinc/30/32/44/388303244.db2.gz DOVRWTQVMAHXFO-LLVKDONJSA-N 1 1 230.311 2.099 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CC[S@](=O)c1ccccc1 ZINC000491632954 388306853 /nfs/dbraw/zinc/30/68/53/388306853.db2.gz RCJLDNHEQWEYRX-KRWDZBQOSA-N 1 1 249.379 2.138 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CC[S@](=O)c1ccccc1 ZINC000491632954 388306854 /nfs/dbraw/zinc/30/68/54/388306854.db2.gz RCJLDNHEQWEYRX-KRWDZBQOSA-N 1 1 249.379 2.138 20 30 BEEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(C(C)=O)c1 ZINC000491679361 388310516 /nfs/dbraw/zinc/31/05/16/388310516.db2.gz XAUVHWKACMLMHV-LLVKDONJSA-N 1 1 215.296 2.343 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C(C)=O)c1 ZINC000491679361 388310517 /nfs/dbraw/zinc/31/05/17/388310517.db2.gz XAUVHWKACMLMHV-LLVKDONJSA-N 1 1 215.296 2.343 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000491696868 388311956 /nfs/dbraw/zinc/31/19/56/388311956.db2.gz OYKQWIZCNTWZHG-SNVBAGLBSA-N 1 1 213.284 2.016 20 30 BEEDMO C#CC[N@H+](C)CC1CCC(F)(F)CC1 ZINC000491696014 388312129 /nfs/dbraw/zinc/31/21/29/388312129.db2.gz IKBBCQDQAHCYPG-UHFFFAOYSA-N 1 1 201.260 2.377 20 30 BEEDMO C#CC[NH+](CC#C)[C@H](C)c1cccc(OC)c1 ZINC000491706243 388313438 /nfs/dbraw/zinc/31/34/38/388313438.db2.gz DNPYGCKRWHUHRQ-CYBMUJFWSA-N 1 1 227.307 2.325 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491710596 388313877 /nfs/dbraw/zinc/31/38/77/388313877.db2.gz UQKXSSCVIPXGRM-GZBFAFLISA-N 1 1 231.339 2.105 20 30 BEEDMO C#CCNN=C1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000491735513 388316067 /nfs/dbraw/zinc/31/60/67/388316067.db2.gz UFFDUYMEEURTAY-HNNXBMFYSA-N 1 1 241.338 2.032 20 30 BEEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(CC)cn1 ZINC000491735176 388316233 /nfs/dbraw/zinc/31/62/33/388316233.db2.gz SSNYTUFYGJGDFI-NSHDSACASA-N 1 1 202.301 2.098 20 30 BEEDMO C#CC[N@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000491750435 388317732 /nfs/dbraw/zinc/31/77/32/388317732.db2.gz SBSOIDOMDWJMIH-ALCCZGGFSA-N 1 1 230.311 2.059 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CC1Cc2ccccc2C1 ZINC000491770092 388318970 /nfs/dbraw/zinc/31/89/70/388318970.db2.gz OSXOOMCKVSJLPR-LBPRGKRZSA-N 1 1 213.324 2.355 20 30 BEEDMO C#CC[N@H+](CCCc1cc(CC)no1)C1CC1 ZINC000491784475 388320964 /nfs/dbraw/zinc/32/09/64/388320964.db2.gz PRAULHLULFXZCZ-UHFFFAOYSA-N 1 1 232.327 2.267 20 30 BEEDMO C#CC[N@@H+](CCCO[C@H]1CCCCO1)C1CC1 ZINC000491804566 388321955 /nfs/dbraw/zinc/32/19/55/388321955.db2.gz LVRAXYAOCCJYOY-AWEZNQCLSA-N 1 1 237.343 2.017 20 30 BEEDMO C=CCOCCC[N@@H+]1CC[C@@H](SC)C1 ZINC000451330184 388263214 /nfs/dbraw/zinc/26/32/14/388263214.db2.gz ZGVGKGGIVKNGHZ-LLVKDONJSA-N 1 1 215.362 2.016 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CCCSCCOC ZINC000491073504 388268048 /nfs/dbraw/zinc/26/80/48/388268048.db2.gz ZZAVLPVKZMAJDR-UHFFFAOYSA-N 1 1 229.389 2.100 20 30 BEEDMO C#CC(C)(C)[N@H+](C)CC1CC(OCC)C1 ZINC000491180284 388275085 /nfs/dbraw/zinc/27/50/85/388275085.db2.gz KNECZVWKJUHXAK-UHFFFAOYSA-N 1 1 209.333 2.145 20 30 BEEDMO C#CC[N@H+](CC)Cc1cccc(OCCOC)c1 ZINC000491180625 388275284 /nfs/dbraw/zinc/27/52/84/388275284.db2.gz MXBCDWPRXLXEKM-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C#C[C@H](C)[N@@H+](C)CCCOc1ccccc1 ZINC000491252291 388280204 /nfs/dbraw/zinc/28/02/04/388280204.db2.gz HDMWLBDUDVNSGA-ZDUSSCGKSA-N 1 1 217.312 2.409 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)CCc1cscn1 ZINC000491253310 388280235 /nfs/dbraw/zinc/28/02/35/388280235.db2.gz MWILKVOBZBAZSM-UHFFFAOYSA-N 1 1 208.330 2.029 20 30 BEEDMO Cc1ccc(C#N)nc1NCC[N@H+](C)C(C)C ZINC000596110463 388404390 /nfs/dbraw/zinc/40/43/90/388404390.db2.gz PDZQUMVHNWDYCK-UHFFFAOYSA-N 1 1 232.331 2.014 20 30 BEEDMO C[C@H](NC[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000132088391 388354958 /nfs/dbraw/zinc/35/49/58/388354958.db2.gz ZTISHYOPSBFRFC-GXTWGEPZSA-N 1 1 243.354 2.208 20 30 BEEDMO C[C@@H]1C[C@H]1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC000459618132 388366054 /nfs/dbraw/zinc/36/60/54/388366054.db2.gz RSFUSJXJTQGJPY-YPMHNXCESA-N 1 1 242.322 2.277 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)cc1OC ZINC000270981515 388368967 /nfs/dbraw/zinc/36/89/67/388368967.db2.gz CMPFGGIOEDVKRH-UHFFFAOYSA-N 1 1 248.326 2.035 20 30 BEEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)s1 ZINC000271042828 388371228 /nfs/dbraw/zinc/37/12/28/388371228.db2.gz JPJZGNXHQPFFPF-UHFFFAOYSA-N 1 1 224.329 2.088 20 30 BEEDMO CC[N@@H+](CCOC)Cc1cccc(C#N)c1 ZINC000042493032 388444556 /nfs/dbraw/zinc/44/45/56/388444556.db2.gz BMOZPPGHGFAOBF-UHFFFAOYSA-N 1 1 218.300 2.027 20 30 BEEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335792122 388454344 /nfs/dbraw/zinc/45/43/44/388454344.db2.gz IJMXYNJVPQQOHV-OLZOCXBDSA-N 1 1 244.338 2.362 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc(C)c1 ZINC000649251913 388470534 /nfs/dbraw/zinc/47/05/34/388470534.db2.gz GTBCLUBHTMHVHS-CQSZACIVSA-N 1 1 219.328 2.364 20 30 BEEDMO C=CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648874849 388476777 /nfs/dbraw/zinc/47/67/77/388476777.db2.gz VJJSFKYIYKJATC-GFCCVEGCSA-N 1 1 249.358 2.431 20 30 BEEDMO CC[C@H](C)C[N@@H+](CC)CCOCCC#N ZINC000339012292 388477917 /nfs/dbraw/zinc/47/79/17/388477917.db2.gz XIWNOFWSSYHSLM-LBPRGKRZSA-N 1 1 212.337 2.285 20 30 BEEDMO C[C@@H](NC[C@H](C)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271920713 388412348 /nfs/dbraw/zinc/41/23/48/388412348.db2.gz DSFHAPASXDZEOQ-WDEREUQCSA-N 1 1 249.333 2.298 20 30 BEEDMO CC#CCn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000295926874 388415807 /nfs/dbraw/zinc/41/58/07/388415807.db2.gz KAYDJMZLPNJATJ-MNOVXSKESA-N 1 1 202.301 2.277 20 30 BEEDMO CC#CC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000525109749 388416685 /nfs/dbraw/zinc/41/66/85/388416685.db2.gz SHNXODAJTLHCFR-UHFFFAOYSA-N 1 1 229.323 2.467 20 30 BEEDMO COCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000122698859 388417692 /nfs/dbraw/zinc/41/76/92/388417692.db2.gz KUUUIYZKRQGFOT-LBPRGKRZSA-N 1 1 232.327 2.415 20 30 BEEDMO C#CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079503221 388538429 /nfs/dbraw/zinc/53/84/29/388538429.db2.gz WRCSHARPXDQVFJ-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)OC ZINC000449282775 256781911 /nfs/dbraw/zinc/78/19/11/256781911.db2.gz IRRDLYVLDNFQHR-QWRGUYRKSA-N 1 1 213.321 2.272 20 30 BEEDMO C=CCCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000177509571 388485042 /nfs/dbraw/zinc/48/50/42/388485042.db2.gz VGPNIIQWGMAHBM-UHFFFAOYSA-N 1 1 242.363 2.409 20 30 BEEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCOC1 ZINC000343544885 388501337 /nfs/dbraw/zinc/50/13/37/388501337.db2.gz YBLCJRVBJNLYLH-HNNXBMFYSA-N 1 1 244.338 2.221 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000649303431 388586749 /nfs/dbraw/zinc/58/67/49/388586749.db2.gz RQWONARUSIKHAL-ZIAGYGMSSA-N 1 1 241.375 2.205 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000649307564 388593707 /nfs/dbraw/zinc/59/37/07/388593707.db2.gz AXJSKUDFDFUTMD-NEPJUHHUSA-N 1 1 221.300 2.006 20 30 BEEDMO CCC[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000296196540 388600930 /nfs/dbraw/zinc/60/09/30/388600930.db2.gz BTKZHLMCFYPCCE-AWEZNQCLSA-N 1 1 232.327 2.151 20 30 BEEDMO CCC1(C)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000297282171 388604184 /nfs/dbraw/zinc/60/41/84/388604184.db2.gz AEHJPRPEWJZDKL-UHFFFAOYSA-N 1 1 204.273 2.383 20 30 BEEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](CC)CC1 ZINC000649315978 388604452 /nfs/dbraw/zinc/60/44/52/388604452.db2.gz HWTKSYQNXPKLFG-CHWSQXEVSA-N 1 1 211.349 2.436 20 30 BEEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080644273 388560356 /nfs/dbraw/zinc/56/03/56/388560356.db2.gz KQZSNMJOJYHOKH-NSHDSACASA-N 1 1 240.347 2.114 20 30 BEEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CCS1 ZINC000080631702 388561243 /nfs/dbraw/zinc/56/12/43/388561243.db2.gz FELQBKPKBCVBTO-SNVBAGLBSA-N 1 1 230.402 2.071 20 30 BEEDMO C=CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735426 388563892 /nfs/dbraw/zinc/56/38/92/388563892.db2.gz WXKXGUHYEJHGIH-UHFFFAOYSA-N 1 1 229.327 2.288 20 30 BEEDMO C=C(CC)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549079161 388572802 /nfs/dbraw/zinc/57/28/02/388572802.db2.gz VEOLNPXPWCPYQG-VIFPVBQESA-N 1 1 205.248 2.266 20 30 BEEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528790194 388574096 /nfs/dbraw/zinc/57/40/96/388574096.db2.gz VHNXMKXYRXDMMN-GFCCVEGCSA-N 1 1 233.315 2.285 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCCc2sccc2C1 ZINC000649302254 388584106 /nfs/dbraw/zinc/58/41/06/388584106.db2.gz ZEDIIYGXKFURAY-LBPRGKRZSA-N 1 1 237.368 2.433 20 30 BEEDMO C=C(C)CC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000552080224 388667068 /nfs/dbraw/zinc/66/70/68/388667068.db2.gz UEVYRYHYPPIYTG-ZDUSSCGKSA-N 1 1 208.349 2.123 20 30 BEEDMO C=C(C)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000552080224 388667069 /nfs/dbraw/zinc/66/70/69/388667069.db2.gz UEVYRYHYPPIYTG-ZDUSSCGKSA-N 1 1 208.349 2.123 20 30 BEEDMO CCc1[nH+]ccn1Cc1ccc(C#N)s1 ZINC000521369947 388671529 /nfs/dbraw/zinc/67/15/29/388671529.db2.gz IYUFDCPAVKTPOT-UHFFFAOYSA-N 1 1 217.297 2.427 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCC ZINC000125818287 388677909 /nfs/dbraw/zinc/67/79/09/388677909.db2.gz YVKAFYCZIKBGCB-CYBMUJFWSA-N 1 1 238.375 2.307 20 30 BEEDMO CC1(C#N)CCC(N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530215966 388628764 /nfs/dbraw/zinc/62/87/64/388628764.db2.gz LBKQKJGLCNZYGG-MOKVOYLWSA-N 1 1 247.386 2.333 20 30 BEEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000514792002 388644431 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CC1=C(C)C[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000619517023 411172697 /nfs/dbraw/zinc/17/26/97/411172697.db2.gz RYLCYQJPBKKUKR-UHFFFAOYSA-N 1 1 227.311 2.495 20 30 BEEDMO CC(C)[N@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000163440876 411182899 /nfs/dbraw/zinc/18/28/99/411182899.db2.gz XTPZSZQFVBPXQC-UHFFFAOYSA-N 1 1 232.327 2.303 20 30 BEEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000163440876 411182901 /nfs/dbraw/zinc/18/29/01/411182901.db2.gz XTPZSZQFVBPXQC-UHFFFAOYSA-N 1 1 232.327 2.303 20 30 BEEDMO C=CCCn1cc(C[N@H+](CCC)C(C)C)nn1 ZINC000653799160 411183726 /nfs/dbraw/zinc/18/37/26/411183726.db2.gz OVMRMWMYHOSSLY-UHFFFAOYSA-N 1 1 236.363 2.475 20 30 BEEDMO CC#CC[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000183406337 411186189 /nfs/dbraw/zinc/18/61/89/411186189.db2.gz PJNUZARZJWKKNH-CYBMUJFWSA-N 1 1 239.265 2.265 20 30 BEEDMO C=CCC(C)(C)C[NH2+]Cc1cn[nH]c1C ZINC000292899371 411221083 /nfs/dbraw/zinc/22/10/83/411221083.db2.gz GNVSKWVHOVFXOH-UHFFFAOYSA-N 1 1 207.321 2.410 20 30 BEEDMO C=CC(C)(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000448706028 411303419 /nfs/dbraw/zinc/30/34/19/411303419.db2.gz FJEYYZPBBNHULB-GFCCVEGCSA-N 1 1 238.375 2.047 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1 ZINC000662083550 411357638 /nfs/dbraw/zinc/35/76/38/411357638.db2.gz FWBUWSWNQAERBO-TXEJJXNPSA-N 1 1 204.273 2.358 20 30 BEEDMO C=CCCn1cc(C[N@@H+](CCC)CC2CC2)nn1 ZINC000653481773 411358511 /nfs/dbraw/zinc/35/85/11/411358511.db2.gz RYLDXZPLQCHNQV-UHFFFAOYSA-N 1 1 248.374 2.476 20 30 BEEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628993 411361173 /nfs/dbraw/zinc/36/11/73/411361173.db2.gz YEIIBMUGSUCHPB-HIFRSBDPSA-N 1 1 246.354 2.198 20 30 BEEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cn[nH]c1 ZINC000662090959 411361246 /nfs/dbraw/zinc/36/12/46/411361246.db2.gz UVYPVHSGRZELMV-BETUJISGSA-N 1 1 217.316 2.135 20 30 BEEDMO C=CCCn1cc(CNc2[nH+]cccc2C)nn1 ZINC000656766868 411348157 /nfs/dbraw/zinc/34/81/57/411348157.db2.gz FRBAFZMZOKKBRJ-UHFFFAOYSA-N 1 1 243.314 2.170 20 30 BEEDMO CCC(=O)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000190172901 168200286 /nfs/dbraw/zinc/20/02/86/168200286.db2.gz ISLGUMBNYIHCCS-UHFFFAOYSA-N 1 1 230.311 2.359 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2C(C)C)nn1 ZINC000653506832 411414930 /nfs/dbraw/zinc/41/49/30/411414930.db2.gz NFKAIJGRZGVGLK-CQSZACIVSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C(C)C)nn1 ZINC000653506831 411415036 /nfs/dbraw/zinc/41/50/36/411415036.db2.gz NFKAIJGRZGVGLK-AWEZNQCLSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2C2CC2)nn1 ZINC000653541985 411419223 /nfs/dbraw/zinc/41/92/23/411419223.db2.gz BRYRNMQNJCFEOL-AWEZNQCLSA-N 1 1 246.358 2.229 20 30 BEEDMO Cc1occc1C[NH+]1CCC(F)(C#N)CC1 ZINC000414442781 411419431 /nfs/dbraw/zinc/41/94/31/411419431.db2.gz QXPLXTMOSVPZIE-UHFFFAOYSA-N 1 1 222.263 2.416 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](CC)C2)nn1 ZINC000653568047 411423333 /nfs/dbraw/zinc/42/33/33/411423333.db2.gz JKKAFOLGCHHWCA-GFCCVEGCSA-N 1 1 234.347 2.086 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2[C@H](C)CC[C@@H]2C)nn1 ZINC000653568753 411424667 /nfs/dbraw/zinc/42/46/67/411424667.db2.gz IPRMSVCDIRWZJV-TXEJJXNPSA-N 1 1 234.347 2.227 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H](C)C2)nn1 ZINC000653621442 411446344 /nfs/dbraw/zinc/44/63/44/411446344.db2.gz NBAWPOKFWFOEPS-ZDUSSCGKSA-N 1 1 248.374 2.476 20 30 BEEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@H]2CC)nn1 ZINC000653621491 411446459 /nfs/dbraw/zinc/44/64/59/411446459.db2.gz OXEJMILNECIBMY-GXTWGEPZSA-N 1 1 248.374 2.475 20 30 BEEDMO C=CCCC[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000659940924 411504544 /nfs/dbraw/zinc/50/45/44/411504544.db2.gz JLFQYBAMYRGNIS-SNVBAGLBSA-N 1 1 219.275 2.309 20 30 BEEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(CC)C1=O ZINC000659946749 411507510 /nfs/dbraw/zinc/50/75/10/411507510.db2.gz IXXMIAWBUDDFFP-CYBMUJFWSA-N 1 1 238.375 2.285 20 30 BEEDMO C=CCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657454790 411515705 /nfs/dbraw/zinc/51/57/05/411515705.db2.gz MAYVDVJGOAUQHL-UHFFFAOYSA-N 1 1 242.326 2.323 20 30 BEEDMO C=C(CC)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657484139 411528779 /nfs/dbraw/zinc/52/87/79/411528779.db2.gz KWUIIEUVGWVASN-UHFFFAOYSA-N 1 1 242.326 2.323 20 30 BEEDMO C=C(C)C[N@@H+](CC)CCO[C@@H]1CC1(F)F ZINC000659828464 411466133 /nfs/dbraw/zinc/46/61/33/411466133.db2.gz DXKCGBDXBJRKBN-SNVBAGLBSA-N 1 1 219.275 2.309 20 30 BEEDMO CC[N@@H+](C)C1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172508965 974863225 /nfs/dbraw/zinc/86/32/25/974863225.db2.gz IFPFLOABOKAVRL-ZDUSSCGKSA-N 1 1 237.391 2.485 20 30 BEEDMO CCOC1CC([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000290358074 170328500 /nfs/dbraw/zinc/32/85/00/170328500.db2.gz GPSBEVHVGZRXNF-UHFFFAOYSA-N 1 1 234.299 2.151 20 30 BEEDMO CC[N@H+](C)C1CCN([C@@H](C)CCCC#N)CC1 ZINC001172508965 974863231 /nfs/dbraw/zinc/86/32/31/974863231.db2.gz IFPFLOABOKAVRL-ZDUSSCGKSA-N 1 1 237.391 2.485 20 30 BEEDMO CC[N@@H+](C)C1CCN([C@@H](C)CCCC#N)CC1 ZINC001172508965 974863236 /nfs/dbraw/zinc/86/32/36/974863236.db2.gz IFPFLOABOKAVRL-ZDUSSCGKSA-N 1 1 237.391 2.485 20 30 BEEDMO 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C=C[C@@H]1CCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000660429397 411583855 /nfs/dbraw/zinc/58/38/55/411583855.db2.gz LLXDRIHSDGKGNN-MNOVXSKESA-N 1 1 231.286 2.451 20 30 BEEDMO CC#CC[N@H+](C)C[C@@H](OC)C1CCCC1 ZINC000660643838 411611257 /nfs/dbraw/zinc/61/12/57/411611257.db2.gz DPJWWGFZYFQIHU-CYBMUJFWSA-N 1 1 209.333 2.147 20 30 BEEDMO CCC#C[C@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660221 411614542 /nfs/dbraw/zinc/61/45/42/411614542.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO CCC#C[C@H](C)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660660221 411614547 /nfs/dbraw/zinc/61/45/47/411614547.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO CCC#C[C@H](C)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660660221 411614548 /nfs/dbraw/zinc/61/45/48/411614548.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 1 1 234.387 2.206 20 30 BEEDMO C=C(C)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094035 411705066 /nfs/dbraw/zinc/70/50/66/411705066.db2.gz QMQBTQAABMWKRD-CQSZACIVSA-N 1 1 219.328 2.098 20 30 BEEDMO C=CCCn1cc(C[N@H+](CC)[C@H](C)CC)nn1 ZINC000661104556 411708776 /nfs/dbraw/zinc/70/87/76/411708776.db2.gz QITCEMMGZMJNHM-GFCCVEGCSA-N 1 1 236.363 2.475 20 30 BEEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H](C)CC ZINC000661108238 411710717 /nfs/dbraw/zinc/71/07/17/411710717.db2.gz XFIYQBNTBBRYFB-CYBMUJFWSA-N 1 1 238.375 2.307 20 30 BEEDMO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000680099597 487536246 /nfs/dbraw/zinc/53/62/46/487536246.db2.gz YGZVRNMZVSUFCC-CHWSQXEVSA-N 1 1 209.333 2.212 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1CCCCO1)[C@@H](C)COC ZINC000661244653 411737731 /nfs/dbraw/zinc/73/77/31/411737731.db2.gz XCFPZIKHBWERAR-STQMWFEESA-N 1 1 227.348 2.078 20 30 BEEDMO C=CC[N@H+](CC[C@@H]1CCCCO1)[C@@H](C)COC ZINC000661238323 411739330 /nfs/dbraw/zinc/73/93/30/411739330.db2.gz BDCLPJNJYDFBOB-KBPBESRZSA-N 1 1 241.375 2.469 20 30 BEEDMO C=CC[N@H+](Cc1cc(C)no1)[C@@H](C)COC ZINC000661241475 411740394 /nfs/dbraw/zinc/74/03/94/411740394.db2.gz YXNLKGVYPNEAAY-NSHDSACASA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[N@@H+](Cc1cc(C)no1)[C@@H](C)COC ZINC000661241475 411740400 /nfs/dbraw/zinc/74/04/00/411740400.db2.gz YXNLKGVYPNEAAY-NSHDSACASA-N 1 1 224.304 2.006 20 30 BEEDMO C=CC[N@@H+](C[C@H](O)CCC(C)C)[C@@H](C)COC ZINC000661240609 411740969 /nfs/dbraw/zinc/74/09/69/411740969.db2.gz OYULAXNPJHNTAL-UONOGXRCSA-N 1 1 243.391 2.306 20 30 BEEDMO C=CC[N@H+](CCc1cccnc1)[C@H](C)COC ZINC000661239476 411741249 /nfs/dbraw/zinc/74/12/49/411741249.db2.gz GNDHXEHSMIMECK-CYBMUJFWSA-N 1 1 234.343 2.147 20 30 BEEDMO C=CC[N@H+](CCC[C@@H]1CCOC1)[C@@H](C)COC ZINC000661241082 411741750 /nfs/dbraw/zinc/74/17/50/411741750.db2.gz WPLYKOCOSADBOR-UONOGXRCSA-N 1 1 241.375 2.326 20 30 BEEDMO C=CC[N@@H+](Cc1ccncc1)[C@@H](C)COC ZINC000661244668 411743847 /nfs/dbraw/zinc/74/38/47/411743847.db2.gz XGHFZOVGYOIVJX-LBPRGKRZSA-N 1 1 220.316 2.105 20 30 BEEDMO C=CC[C@H]1CCC[N@H+](CCCCCO)C1 ZINC000661379166 411752834 /nfs/dbraw/zinc/75/28/34/411752834.db2.gz VHSGKWCRJMONDD-ZDUSSCGKSA-N 1 1 211.349 2.437 20 30 BEEDMO 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GDOKNUCFVFWKCI-UHFFFAOYSA-N 1 1 238.360 2.240 20 30 BEEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1csc(C#N)c1 ZINC000894640693 583499611 /nfs/dbraw/zinc/49/96/11/583499611.db2.gz HRURVDFFVDMRDJ-LBPRGKRZSA-N 1 1 249.383 2.146 20 30 BEEDMO C(#Cc1ccccc1)C[NH+]1CC2(C1)CCOCC2 ZINC000894830619 583527688 /nfs/dbraw/zinc/52/76/88/583527688.db2.gz PIOFPASDCCPANN-UHFFFAOYSA-N 1 1 241.334 2.151 20 30 BEEDMO C[C@@H](NN=C1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000793114633 583553633 /nfs/dbraw/zinc/55/36/33/583553633.db2.gz IDBKZUTZOLQRAW-WDEREUQCSA-N 1 1 225.380 2.481 20 30 BEEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)s2)C1 ZINC000895010835 583567001 /nfs/dbraw/zinc/56/70/01/583567001.db2.gz VZHAIPMGXQZFSC-SCZZXKLOSA-N 1 1 248.355 2.197 20 30 BEEDMO C#C[C@H]1CC[C@H](Nc2cc(NC)[nH+]cn2)CC1 ZINC000895091315 583586958 /nfs/dbraw/zinc/58/69/58/583586958.db2.gz DHNPNPWSXRYLTC-XYPYZODXSA-N 1 1 230.315 2.122 20 30 BEEDMO C#C[C@H]1CC[C@H](Nc2nccn3c[nH+]cc23)CC1 ZINC000895092579 583587134 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583887506 /nfs/dbraw/zinc/88/75/06/583887506.db2.gz YWBUEEWMOSLQGM-QWHCGFSZSA-N 1 1 209.333 2.147 20 30 BEEDMO CC#CC[N@@H+](C)CCCc1ccc(C)nc1 ZINC000897167969 583887557 /nfs/dbraw/zinc/88/75/57/583887557.db2.gz YOPGSZLNZHTIOK-UHFFFAOYSA-N 1 1 216.328 2.278 20 30 BEEDMO C#CC[N@@H+](Cc1ccnn1CCC)C(C)C ZINC000897171401 583889304 /nfs/dbraw/zinc/88/93/04/583889304.db2.gz XXMHTWGGMBMBIJ-UHFFFAOYSA-N 1 1 219.332 2.137 20 30 BEEDMO C#CC[N@H+](Cc1ccnn1CCC)C(C)C ZINC000897171401 583889306 /nfs/dbraw/zinc/88/93/06/583889306.db2.gz XXMHTWGGMBMBIJ-UHFFFAOYSA-N 1 1 219.332 2.137 20 30 BEEDMO CN(C)c1ccc(C=[NH+]NCC(F)F)cc1F ZINC000740617069 583929972 /nfs/dbraw/zinc/92/99/72/583929972.db2.gz ASVLCZCQVZFIOC-UHFFFAOYSA-N 1 1 245.248 2.080 20 30 BEEDMO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000872140427 583947702 /nfs/dbraw/zinc/94/77/02/583947702.db2.gz MRHULAIYOBERHW-VGWMRTNUSA-N 1 1 248.414 2.498 20 30 BEEDMO CC[N@H+](C)Cc1cc(C#N)c(F)cc1F ZINC000669379691 583949065 /nfs/dbraw/zinc/94/90/65/583949065.db2.gz JIMAPQACDPQUKH-UHFFFAOYSA-N 1 1 210.227 2.288 20 30 BEEDMO CC[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC000669379691 583949067 /nfs/dbraw/zinc/94/90/67/583949067.db2.gz JIMAPQACDPQUKH-UHFFFAOYSA-N 1 1 210.227 2.288 20 30 BEEDMO c1cnn([NH+]=C2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000863163976 583979646 /nfs/dbraw/zinc/97/96/46/583979646.db2.gz VHMGAXBWLOZJLE-VXGBXAGGSA-N 1 1 233.315 2.314 20 30 BEEDMO CC(C)O[C@@H]1CC(=[NH+]n2cccn2)C1(C)C ZINC000863165053 583979787 /nfs/dbraw/zinc/97/97/87/583979787.db2.gz ZNBWWVBTYKLTQY-LLVKDONJSA-N 1 1 221.304 2.311 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932350 584030284 /nfs/dbraw/zinc/03/02/84/584030284.db2.gz ZGUIBWMMCUWENV-LLVKDONJSA-N 1 1 225.723 2.273 20 30 BEEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1 ZINC000897685292 584040235 /nfs/dbraw/zinc/04/02/35/584040235.db2.gz IGDJBTBBSRHGHO-SWLSCSKDSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1 ZINC000897685291 584040668 /nfs/dbraw/zinc/04/06/68/584040668.db2.gz IGDJBTBBSRHGHO-IUODEOHRSA-N 1 1 247.338 2.064 20 30 BEEDMO C=CCCON=C(N)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000842049204 584118477 /nfs/dbraw/zinc/11/84/77/584118477.db2.gz PQCDCSSSUPOFMQ-TXEJJXNPSA-N 1 1 239.363 2.324 20 30 BEEDMO C=CC(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000898460666 584138251 /nfs/dbraw/zinc/13/82/51/584138251.db2.gz RASVLJIREJLYFF-UHFFFAOYSA-N 1 1 207.302 2.069 20 30 BEEDMO C=C1C[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000899900119 584248732 /nfs/dbraw/zinc/24/87/32/584248732.db2.gz IXMZWWBFYVDNET-GXTWGEPZSA-N 1 1 217.312 2.023 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000899921447 584256407 /nfs/dbraw/zinc/25/64/07/584256407.db2.gz XBPZEYDURSLDPV-KBPBESRZSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CCN(CC=C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000899921450 584256630 /nfs/dbraw/zinc/25/66/30/584256630.db2.gz XBPZEYDURSLDPV-ZIAGYGMSSA-N 1 1 248.370 2.204 20 30 BEEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC000900010846 584265562 /nfs/dbraw/zinc/26/55/62/584265562.db2.gz XPIZALJQELFSRH-SNVBAGLBSA-N 1 1 244.298 2.488 20 30 BEEDMO C#CC[C@H](CCOC)Nc1cc(C)[nH+]c(CC)n1 ZINC000858855589 588979266 /nfs/dbraw/zinc/97/92/66/588979266.db2.gz CCLCICXDYRGGDY-GFCCVEGCSA-N 1 1 247.342 2.188 20 30 BEEDMO C#CC[C@H](CCOC)Nc1cc(C)cc[nH+]1 ZINC000858857228 588979381 /nfs/dbraw/zinc/97/93/81/588979381.db2.gz LOPJOCDKJONDNE-GFCCVEGCSA-N 1 1 218.300 2.230 20 30 BEEDMO CC1(C)CC2(CC(=[NH+]n3cccn3)C2)CO1 ZINC000901266873 584418377 /nfs/dbraw/zinc/41/83/77/584418377.db2.gz BYBIAYYKHJMCAT-UHFFFAOYSA-N 1 1 219.288 2.066 20 30 BEEDMO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1N2 ZINC000902472963 584601294 /nfs/dbraw/zinc/60/12/94/584601294.db2.gz MJFZQHROLWTPGI-RXGFPQBGSA-N 1 1 208.349 2.070 20 30 BEEDMO C=CC[C@@H](C)[C@H](C)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472963 584601295 /nfs/dbraw/zinc/60/12/95/584601295.db2.gz MJFZQHROLWTPGI-RXGFPQBGSA-N 1 1 208.349 2.070 20 30 BEEDMO C#Cc1ccc(C[NH2+]Cc2cn(CC)cn2)cc1 ZINC000902578358 584637965 /nfs/dbraw/zinc/63/79/65/584637965.db2.gz PYOATLOOTGFVLY-UHFFFAOYSA-N 1 1 239.322 2.174 20 30 BEEDMO CC(=O)C(C)=NOC[C@H]1CCCC[N@@H+]1C(C)C ZINC000902760214 584665875 /nfs/dbraw/zinc/66/58/75/584665875.db2.gz BLORCNWWLLXDRC-CYBMUJFWSA-N 1 1 240.347 2.231 20 30 BEEDMO CC(=O)C(C)=NOC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000902760215 584665912 /nfs/dbraw/zinc/66/59/12/584665912.db2.gz BLORCNWWLLXDRC-ZDUSSCGKSA-N 1 1 240.347 2.231 20 30 BEEDMO C#CC[N@H+](CC)Cc1cc(C)ccc1OC ZINC000746456857 584708834 /nfs/dbraw/zinc/70/88/34/584708834.db2.gz ODHGCICCPMUDBS-UHFFFAOYSA-N 1 1 217.312 2.459 20 30 BEEDMO C#CC[N@@H+](CC)CCCOc1ccc(OC)cc1 ZINC000746457463 584712468 /nfs/dbraw/zinc/71/24/68/584712468.db2.gz DMTWKVJCKLIMIK-UHFFFAOYSA-N 1 1 247.338 2.419 20 30 BEEDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903032595 584718590 /nfs/dbraw/zinc/71/85/90/584718590.db2.gz KKLSSHYFLUAGCQ-GFCCVEGCSA-N 1 1 244.342 2.081 20 30 BEEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000903035671 584719686 /nfs/dbraw/zinc/71/96/86/584719686.db2.gz SHJLDOUYLTWMIZ-RDBSUJKOSA-N 1 1 247.386 2.143 20 30 BEEDMO C[C@@H]([NH2+]CC(C)(C)F)c1cc(C#N)ccn1 ZINC000903072454 584726080 /nfs/dbraw/zinc/72/60/80/584726080.db2.gz LTKKMHFPOQIKHI-SECBINFHSA-N 1 1 221.279 2.352 20 30 BEEDMO Cc1cncc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903106475 584728435 /nfs/dbraw/zinc/72/84/35/584728435.db2.gz RDMSODRSABJJNO-NSHDSACASA-N 1 1 215.300 2.344 20 30 BEEDMO N#CC1CCC(C[NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000903460157 584766790 /nfs/dbraw/zinc/76/67/90/584766790.db2.gz YJAFVERZTZHBPH-NWINJMCUSA-N 1 1 235.375 2.176 20 30 BEEDMO N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@]3(N)C2)CC1 ZINC000903464614 584771673 /nfs/dbraw/zinc/77/16/73/584771673.db2.gz UEFWQJTVZVOLBH-WUCCLRPBSA-N 1 1 247.386 2.130 20 30 BEEDMO N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3(N)C2)CC1 ZINC000903464614 584771675 /nfs/dbraw/zinc/77/16/75/584771675.db2.gz UEFWQJTVZVOLBH-WUCCLRPBSA-N 1 1 247.386 2.130 20 30 BEEDMO C[C@@H](CN)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903716934 584792314 /nfs/dbraw/zinc/79/23/14/584792314.db2.gz VVNSSGOCUZXNSL-LBPRGKRZSA-N 1 1 223.364 2.130 20 30 BEEDMO C[C@@H](C[NH3+])N(C)CCCCC1(C#N)CCC1 ZINC000903716934 584792315 /nfs/dbraw/zinc/79/23/15/584792315.db2.gz VVNSSGOCUZXNSL-LBPRGKRZSA-N 1 1 223.364 2.130 20 30 BEEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903956034 584831905 /nfs/dbraw/zinc/83/19/05/584831905.db2.gz FTKOUTIMWHPKDQ-QWRGUYRKSA-N 1 1 232.318 2.176 20 30 BEEDMO CC[C@@H]1CCCC[C@H]1C=NN1CC[NH+](C)CC1 ZINC000842521834 584898077 /nfs/dbraw/zinc/89/80/77/584898077.db2.gz GBNYPACKNMGIFK-KGLIPLIRSA-N 1 1 237.391 2.436 20 30 BEEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761099121 584909883 /nfs/dbraw/zinc/90/98/83/584909883.db2.gz VGSTVFLGDFEQPL-TVQRCGJNSA-N 1 1 216.259 2.292 20 30 BEEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2C[C@H]21 ZINC000761099121 584909884 /nfs/dbraw/zinc/90/98/84/584909884.db2.gz VGSTVFLGDFEQPL-TVQRCGJNSA-N 1 1 216.259 2.292 20 30 BEEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761099117 584909895 /nfs/dbraw/zinc/90/98/95/584909895.db2.gz VGSTVFLGDFEQPL-RNCFNFMXSA-N 1 1 216.259 2.292 20 30 BEEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2C[C@@H]21 ZINC000761099117 584909896 /nfs/dbraw/zinc/90/98/96/584909896.db2.gz VGSTVFLGDFEQPL-RNCFNFMXSA-N 1 1 216.259 2.292 20 30 BEEDMO C=CCON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000835014861 584918623 /nfs/dbraw/zinc/91/86/23/584918623.db2.gz AZMCDKJABXFZCC-UHFFFAOYSA-N 1 1 245.326 2.236 20 30 BEEDMO C#CCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000766901921 584944511 /nfs/dbraw/zinc/94/45/11/584944511.db2.gz AFQVLLCTGMXLCB-ZJUUUORDSA-N 1 1 235.249 2.051 20 30 BEEDMO C#CCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000766901921 584944512 /nfs/dbraw/zinc/94/45/12/584944512.db2.gz AFQVLLCTGMXLCB-ZJUUUORDSA-N 1 1 235.249 2.051 20 30 BEEDMO C=CCCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000735490833 584977968 /nfs/dbraw/zinc/97/79/68/584977968.db2.gz RXZZMAMCCLCHDO-LBPRGKRZSA-N 1 1 225.332 2.180 20 30 BEEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)C#CC1CC1 ZINC000838366058 585054682 /nfs/dbraw/zinc/05/46/82/585054682.db2.gz HAJMMVYWGZHVDL-CQSZACIVSA-N 1 1 249.354 2.206 20 30 BEEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)C1CC1 ZINC000838799911 585068993 /nfs/dbraw/zinc/06/89/93/585068993.db2.gz IJLRGZMASOSIHV-HNNXBMFYSA-N 1 1 247.313 2.032 20 30 BEEDMO C=CCCC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788117458 585073520 /nfs/dbraw/zinc/07/35/20/585073520.db2.gz LLTHUOYEUYRNMK-RYUDHWBXSA-N 1 1 223.316 2.123 20 30 BEEDMO C#CCC[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000839044060 585090100 /nfs/dbraw/zinc/09/01/00/585090100.db2.gz XPCWEGCBIYRWOS-OLZOCXBDSA-N 1 1 237.343 2.206 20 30 BEEDMO C#CCC[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000839044060 585090101 /nfs/dbraw/zinc/09/01/01/585090101.db2.gz XPCWEGCBIYRWOS-OLZOCXBDSA-N 1 1 237.343 2.206 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1CCCCc1ccccc1 ZINC000839199574 585099135 /nfs/dbraw/zinc/09/91/35/585099135.db2.gz OUABOHSURSWIJK-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1CCCCc1ccccc1 ZINC000839199574 585099136 /nfs/dbraw/zinc/09/91/36/585099136.db2.gz OUABOHSURSWIJK-MRXNPFEDSA-N 1 1 243.350 2.343 20 30 BEEDMO C#C[C@@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC000839198558 585099242 /nfs/dbraw/zinc/09/92/42/585099242.db2.gz PSEBKPFZUCAVPX-CQSZACIVSA-N 1 1 219.328 2.211 20 30 BEEDMO C#C[C@@H]1COCC[N@H+]1CCC1=CCCCC1 ZINC000839198558 585099243 /nfs/dbraw/zinc/09/92/43/585099243.db2.gz PSEBKPFZUCAVPX-CQSZACIVSA-N 1 1 219.328 2.211 20 30 BEEDMO C#C[C@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC000839198557 585099387 /nfs/dbraw/zinc/09/93/87/585099387.db2.gz PSEBKPFZUCAVPX-AWEZNQCLSA-N 1 1 219.328 2.211 20 30 BEEDMO C#C[C@H]1COCC[N@H+]1CCC1=CCCCC1 ZINC000839198557 585099388 /nfs/dbraw/zinc/09/93/88/585099388.db2.gz PSEBKPFZUCAVPX-AWEZNQCLSA-N 1 1 219.328 2.211 20 30 BEEDMO C[C@@H]1C[C@@H](/N=C\c2ccccc2O)CC[N@H+]1C ZINC000741464290 585114398 /nfs/dbraw/zinc/11/43/98/585114398.db2.gz NMTGZTFFERXBEF-UQZAJDFTSA-N 1 1 232.327 2.294 20 30 BEEDMO C=CC[N@H+](C(C)C)[C@H](C)C(=O)OCCC ZINC000741777012 585118082 /nfs/dbraw/zinc/11/80/82/585118082.db2.gz IDUFCEHWELATPX-LLVKDONJSA-N 1 1 213.321 2.225 20 30 BEEDMO C=CC[N@@H+](C(C)C)[C@H](C)C(=O)OCCC ZINC000741777012 585118083 /nfs/dbraw/zinc/11/80/83/585118083.db2.gz IDUFCEHWELATPX-LLVKDONJSA-N 1 1 213.321 2.225 20 30 BEEDMO CCCCCCC[N@@H+](CC)CC(=O)NC ZINC000741788053 585118941 /nfs/dbraw/zinc/11/89/41/585118941.db2.gz XCULLJXQEULPJA-UHFFFAOYSA-N 1 1 214.353 2.025 20 30 BEEDMO CCCCCCCC[N@@H+](CC)CC(=O)NC ZINC000741787039 585119090 /nfs/dbraw/zinc/11/90/90/585119090.db2.gz LRBQMVYNIGTKJN-UHFFFAOYSA-N 1 1 228.380 2.415 20 30 BEEDMO C#CC[C@H]1CC[N@@H+](CC(=O)c2ccccc2F)C1 ZINC000886366189 585134364 /nfs/dbraw/zinc/13/43/64/585134364.db2.gz ZAMXCGWLXODKON-LBPRGKRZSA-N 1 1 245.297 2.354 20 30 BEEDMO C#CC[C@H]1CC[N@H+](CC(=O)c2ccccc2F)C1 ZINC000886366189 585134365 /nfs/dbraw/zinc/13/43/65/585134365.db2.gz ZAMXCGWLXODKON-LBPRGKRZSA-N 1 1 245.297 2.354 20 30 BEEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)ccn2)C1 ZINC000886363945 585134468 /nfs/dbraw/zinc/13/44/68/585134468.db2.gz JSNVIERCTNLXSP-ZDUSSCGKSA-N 1 1 214.312 2.235 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](CCC(C)(C)OC)C1 ZINC000886363946 585134647 /nfs/dbraw/zinc/13/46/47/585134647.db2.gz JUQBWEKUBBHFLK-GFCCVEGCSA-N 1 1 209.333 2.147 20 30 BEEDMO C#CC[C@@H]1CC[N@H+](C[C@H](OCC)C2CC2)C1 ZINC000886366026 585134911 /nfs/dbraw/zinc/13/49/11/585134911.db2.gz VLETVTHSBLTVLT-OCCSQVGLSA-N 1 1 221.344 2.147 20 30 BEEDMO C=CC[N@@H+](CN1C[C@@H](CCC)CC1=O)C(C)C ZINC000743350521 585135463 /nfs/dbraw/zinc/13/54/63/585135463.db2.gz JZDBUEDSTOINBB-ZDUSSCGKSA-N 1 1 238.375 2.489 20 30 BEEDMO C=CC[N@H+](CN1C[C@@H](CCC)CC1=O)C(C)C ZINC000743350521 585135464 /nfs/dbraw/zinc/13/54/64/585135464.db2.gz JZDBUEDSTOINBB-ZDUSSCGKSA-N 1 1 238.375 2.489 20 30 BEEDMO C#CC[N@H+](CC#CC)CCOc1cccc(F)c1 ZINC000743854515 585141253 /nfs/dbraw/zinc/14/12/53/585141253.db2.gz AMGNGRLROCWOQL-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCOc1cccc(F)c1 ZINC000743854515 585141254 /nfs/dbraw/zinc/14/12/54/585141254.db2.gz AMGNGRLROCWOQL-UHFFFAOYSA-N 1 1 245.297 2.163 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCc1ccc(C)cc1 ZINC000744410695 585149783 /nfs/dbraw/zinc/14/97/83/585149783.db2.gz SYLPLKXPEAEAJS-UHFFFAOYSA-N 1 1 225.335 2.496 20 30 BEEDMO C#CC[N@@H+](CC#CC)CCc1ccc(OC)cc1 ZINC000744409731 585150112 /nfs/dbraw/zinc/15/01/12/585150112.db2.gz FVWVZRLMSZTTTA-UHFFFAOYSA-N 1 1 241.334 2.196 20 30 BEEDMO C#CC[N@@H+](CC)CCOc1cccc(C)c1 ZINC000746457618 585168066 /nfs/dbraw/zinc/16/80/66/585168066.db2.gz MYIHKWSOOQYWIS-UHFFFAOYSA-N 1 1 217.312 2.329 20 30 BEEDMO C#CC[N@@H+](CC)CCOc1cccc(F)c1 ZINC000746457828 585168559 /nfs/dbraw/zinc/16/85/59/585168559.db2.gz RHJAYUYOOGQJQQ-UHFFFAOYSA-N 1 1 221.275 2.160 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)CC1=NOCc1cccnc1 ZINC000746585853 585170242 /nfs/dbraw/zinc/17/02/42/585170242.db2.gz MRLATGALPDUGSQ-LLVKDONJSA-N 1 1 245.326 2.068 20 30 BEEDMO CCCCCCCC[N@H+]1CCn2cnnc2C1 ZINC000746666085 585171722 /nfs/dbraw/zinc/17/17/22/585171722.db2.gz MCKKLICFOQRXMP-UHFFFAOYSA-N 1 1 236.363 2.454 20 30 BEEDMO C=CC[N@@H+](CC(=O)Nc1ccc(O)cc1)C(C)C ZINC000747524008 585180503 /nfs/dbraw/zinc/18/05/03/585180503.db2.gz CFOYBBOIHVJMCU-UHFFFAOYSA-N 1 1 248.326 2.227 20 30 BEEDMO C#CC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747966490 585186314 /nfs/dbraw/zinc/18/63/14/585186314.db2.gz ABTGJAFOOJQHNA-HNNXBMFYSA-N 1 1 242.366 2.447 20 30 BEEDMO CC[N@H+](CCC#N)CCCCCCCO ZINC000747963269 585186453 /nfs/dbraw/zinc/18/64/53/585186453.db2.gz URYUXIXOYYXYFE-UHFFFAOYSA-N 1 1 212.337 2.165 20 30 BEEDMO CC[N@H+]1CCC(=NOCC(C)C)[C@@H](C)C1 ZINC000749631662 585204813 /nfs/dbraw/zinc/20/48/13/585204813.db2.gz NUENFOIAFJELMF-NSHDSACASA-N 1 1 212.337 2.377 20 30 BEEDMO COc1ccc(N=NC2C[C@@H](C)[N@@H+](C)C2)cc1 ZINC000750922388 585222087 /nfs/dbraw/zinc/22/20/87/585222087.db2.gz OQZDGMWHDGNXIL-SNVBAGLBSA-N 1 1 233.315 2.187 20 30 BEEDMO C#CC[NH+](CC#C)CCSc1ccccc1F ZINC000752074450 585241177 /nfs/dbraw/zinc/24/11/77/585241177.db2.gz BKIKVQKCXHTPNC-UHFFFAOYSA-N 1 1 247.338 2.486 20 30 BEEDMO C#CC[NH+](CC#C)Cc1c(C)cccc1C ZINC000752075801 585241436 /nfs/dbraw/zinc/24/14/36/585241436.db2.gz PXRQDDLEMFHNJL-UHFFFAOYSA-N 1 1 211.308 2.372 20 30 BEEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cc(F)cc(F)c1 ZINC000752163981 585243165 /nfs/dbraw/zinc/24/31/65/585243165.db2.gz HVPAPCSMAMGRPS-MRVPVSSYSA-N 1 1 239.269 2.314 20 30 BEEDMO COc1cccc(N=NC2C[N@@H+](C)C[C@H]2C)c1 ZINC000752163505 585243230 /nfs/dbraw/zinc/24/32/30/585243230.db2.gz ZGTXQDQDJCIYDD-SNVBAGLBSA-N 1 1 233.315 2.045 20 30 BEEDMO C[C@H]1CC(N=Nc2ccccn2)C[N@H+]1C1CC1 ZINC000753954704 585273240 /nfs/dbraw/zinc/27/32/40/585273240.db2.gz FXPZDLLYEKEHIJ-JTQLQIEISA-N 1 1 230.315 2.106 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000754239368 585281023 /nfs/dbraw/zinc/28/10/23/585281023.db2.gz ZCDXKEJOMNKZJF-QWHCGFSZSA-N 1 1 223.360 2.129 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(C)CCCC1 ZINC000756552858 585320854 /nfs/dbraw/zinc/32/08/54/585320854.db2.gz LMMPBGYTNPOTCZ-CYBMUJFWSA-N 1 1 249.354 2.208 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000839537912 585330074 /nfs/dbraw/zinc/33/00/74/585330074.db2.gz XRFCGVAKKSIRSS-NSHDSACASA-N 1 1 217.740 2.366 20 30 BEEDMO C=C(Cl)C[N@H+](C)[C@H](CO)CC(C)C ZINC000839558585 585330890 /nfs/dbraw/zinc/33/08/90/585330890.db2.gz CVUQKNYZNKPFGW-JTQLQIEISA-N 1 1 205.729 2.078 20 30 BEEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(=C)C ZINC000839601921 585331472 /nfs/dbraw/zinc/33/14/72/585331472.db2.gz OPKSPGKYQCWKTH-HNNXBMFYSA-N 1 1 229.323 2.059 20 30 BEEDMO CC[N@@H+](CCO[C@@H](C)C#N)C1CC(C)(C)C1 ZINC000839663408 585334417 /nfs/dbraw/zinc/33/44/17/585334417.db2.gz FSUURTNZYZRTFV-NSHDSACASA-N 1 1 224.348 2.426 20 30 BEEDMO C#CCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000757906285 585346754 /nfs/dbraw/zinc/34/67/54/585346754.db2.gz MQXHUQDBFKDFBR-UHFFFAOYSA-N 1 1 242.322 2.338 20 30 BEEDMO C[N@H+]1CCCC(N=Nc2ccc(C#N)cc2)CC1 ZINC000758106144 585349261 /nfs/dbraw/zinc/34/92/61/585349261.db2.gz FFYDLUYRTQJGMD-UHFFFAOYSA-N 1 1 242.326 2.442 20 30 BEEDMO C[N@H+]1CCCC(=NNCc2cccc(F)c2)CC1 ZINC000758106369 585349333 /nfs/dbraw/zinc/34/93/33/585349333.db2.gz IIVBMHILUSUVQZ-UHFFFAOYSA-N 1 1 249.333 2.387 20 30 BEEDMO C=CC[N@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC000759783939 585380166 /nfs/dbraw/zinc/38/01/66/585380166.db2.gz MTNZLAFSSOSXGS-UHFFFAOYSA-N 1 1 242.363 2.408 20 30 BEEDMO C=CC[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000759788358 585380354 /nfs/dbraw/zinc/38/03/54/585380354.db2.gz YFCQOEVXKSVLSE-UHFFFAOYSA-N 1 1 228.336 2.019 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000760846062 585398942 /nfs/dbraw/zinc/39/89/42/585398942.db2.gz ZLBRNGBULMBNLC-JTQLQIEISA-N 1 1 235.249 2.053 20 30 BEEDMO C#CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000760843515 585399049 /nfs/dbraw/zinc/39/90/49/585399049.db2.gz LATXZTZNYCNNII-INIZCTEOSA-N 1 1 243.350 2.343 20 30 BEEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761090553 585407921 /nfs/dbraw/zinc/40/79/21/585407921.db2.gz HTTXQDGETURMTK-OCCSQVGLSA-N 1 1 215.271 2.271 20 30 BEEDMO C[C@H]1CC(N=Nc2c(F)cccc2F)C[N@H+]1C ZINC000761812757 585418737 /nfs/dbraw/zinc/41/87/37/585418737.db2.gz OLVHSENCNMOBJQ-QMMMGPOBSA-N 1 1 239.269 2.457 20 30 BEEDMO COc1cccc(N=NC2C[C@@H](C)[N@@H+](C)C2)c1 ZINC000761804523 585419067 /nfs/dbraw/zinc/41/90/67/585419067.db2.gz POHRXQRSEFDMDM-SNVBAGLBSA-N 1 1 233.315 2.187 20 30 BEEDMO C[C@@H]1CC(N=Nc2cc(F)cc(F)c2)C[N@H+]1C ZINC000761810816 585419175 /nfs/dbraw/zinc/41/91/75/585419175.db2.gz DCPOPXGDXIVLGQ-MRVPVSSYSA-N 1 1 239.269 2.457 20 30 BEEDMO COCC#CC[N@H+]1CCc2c(C)cccc2C1 ZINC000762918895 585439418 /nfs/dbraw/zinc/43/94/18/585439418.db2.gz QHYYCISCMHMSQS-UHFFFAOYSA-N 1 1 229.323 2.003 20 30 BEEDMO C=C(Cl)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000763433334 585448377 /nfs/dbraw/zinc/44/83/77/585448377.db2.gz QPJMRIXTBBDFLZ-UHFFFAOYSA-N 1 1 246.701 2.048 20 30 BEEDMO Cc1cccc(CNN=C2C[N@@H+](C)C[C@H]2C)c1 ZINC000764715568 585471797 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/nfs/dbraw/zinc/50/47/86/585504786.db2.gz QBPPJJKRKFSVNY-LBPRGKRZSA-N 1 1 217.312 2.463 20 30 BEEDMO C#CCCC[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000766894365 585509447 /nfs/dbraw/zinc/50/94/47/585509447.db2.gz BRSPDYOCFWBPGZ-UHFFFAOYSA-N 1 1 236.403 2.454 20 30 BEEDMO C#CC[N@H+](C[C@H](C)CO)[C@@H]1CCc2ccccc21 ZINC000766896080 585509993 /nfs/dbraw/zinc/50/99/93/585509993.db2.gz PBONUXPGLYMVOU-XJKSGUPXSA-N 1 1 243.350 2.238 20 30 BEEDMO C#CCCCOC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000766898548 585510001 /nfs/dbraw/zinc/51/00/01/585510001.db2.gz DKFOGIMSANSPHA-FRRDWIJNSA-N 1 1 237.343 2.204 20 30 BEEDMO C#CCCC[N@H+](CCCO)CC(C)(C)C ZINC000766901423 585510387 /nfs/dbraw/zinc/51/03/87/585510387.db2.gz YFEXHOWTQYOPSZ-UHFFFAOYSA-N 1 1 211.349 2.130 20 30 BEEDMO C#CCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000766905255 585510925 /nfs/dbraw/zinc/51/09/25/585510925.db2.gz IPZBJQNDQXDQFS-LBPRGKRZSA-N 1 1 237.343 2.063 20 30 BEEDMO C#CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000766908904 585511371 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/nfs/dbraw/zinc/55/73/70/585557370.db2.gz LDZMEPGPVCKKDV-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OC)cc1 ZINC000769451343 585557371 /nfs/dbraw/zinc/55/73/71/585557371.db2.gz LDZMEPGPVCKKDV-UHFFFAOYSA-N 1 1 227.307 2.154 20 30 BEEDMO Cc1ccc(C[N@@H+]2CCOCC[C@H]2C)cc1C#N ZINC000859236422 589023308 /nfs/dbraw/zinc/02/33/08/589023308.db2.gz FHFXREODSKHXAD-CYBMUJFWSA-N 1 1 244.338 2.478 20 30 BEEDMO CC[C@H]1C[C@H](C)CCC1=NN1CC[NH+](C)CC1 ZINC000769568283 585559856 /nfs/dbraw/zinc/55/98/56/585559856.db2.gz YCWKMECABKHXFO-OLZOCXBDSA-N 1 1 237.391 2.436 20 30 BEEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000769897280 585566372 /nfs/dbraw/zinc/56/63/72/585566372.db2.gz IIXJSGDVGVEYNP-MNOVXSKESA-N 1 1 249.276 2.035 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOc1cccc(C)c1 ZINC000769961160 585567401 /nfs/dbraw/zinc/56/74/01/585567401.db2.gz PCNWMUZWBBMEGX-CYBMUJFWSA-N 1 1 217.312 2.327 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1C ZINC000769960948 585567680 /nfs/dbraw/zinc/56/76/80/585567680.db2.gz GWUUPUYJDPOTTG-CYBMUJFWSA-N 1 1 217.312 2.327 20 30 BEEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc2nsnc21 ZINC000769960668 585567762 /nfs/dbraw/zinc/56/77/62/585567762.db2.gz GDKFUAWCFBIXBU-SECBINFHSA-N 1 1 231.324 2.145 20 30 BEEDMO C=CCCCCNC(=O)CCCn1cc[nH+]c1C ZINC000770082728 585570610 /nfs/dbraw/zinc/57/06/10/585570610.db2.gz QJRABOCQQPIRQK-UHFFFAOYSA-N 1 1 249.358 2.444 20 30 BEEDMO C=C(CC)CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000773178243 585633302 /nfs/dbraw/zinc/63/33/02/585633302.db2.gz WCRFQVALODGZGW-UHFFFAOYSA-N 1 1 246.310 2.225 20 30 BEEDMO C=C(CC)C[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000773428282 585636776 /nfs/dbraw/zinc/63/67/76/585636776.db2.gz HOBAOVHUDXWZTE-UHFFFAOYSA-N 1 1 247.404 2.098 20 30 BEEDMO CC(C)C1(O)C[NH+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000773895991 585645842 /nfs/dbraw/zinc/64/58/42/585645842.db2.gz FDSRMTIODDEOHQ-GFCCVEGCSA-N 1 1 244.338 2.322 20 30 BEEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)cn1 ZINC000774399664 585657567 /nfs/dbraw/zinc/65/75/67/585657567.db2.gz QKSRJWNOMHONGE-UHFFFAOYSA-N 1 1 246.701 2.388 20 30 BEEDMO CCC(CC)CNN=C1CC[N@H+]2CCC[C@H]12 ZINC000774460364 585658608 /nfs/dbraw/zinc/65/86/08/585658608.db2.gz GGCOJXJXKHWWKF-CYBMUJFWSA-N 1 1 223.364 2.236 20 30 BEEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(F)cn1)[C@H]1CCCO1 ZINC000775572017 585680293 /nfs/dbraw/zinc/68/02/93/585680293.db2.gz NVFLVKOXQACSEW-SCDSUCTJSA-N 1 1 248.301 2.052 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@H]1CCCO1 ZINC000775572223 585680355 /nfs/dbraw/zinc/68/03/55/585680355.db2.gz PRGIRTXUVIPOQQ-LEWSCRJBSA-N 1 1 248.301 2.052 20 30 BEEDMO C#C[C@H]([NH2+][C@@H](C)c1cncc(F)c1)[C@@H]1CCCO1 ZINC000775572221 585680475 /nfs/dbraw/zinc/68/04/75/585680475.db2.gz PRGIRTXUVIPOQQ-BPNCWPANSA-N 1 1 248.301 2.052 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CC[C@@H](C)C1 ZINC000776518302 585699618 /nfs/dbraw/zinc/69/96/18/585699618.db2.gz UDGJFRHBXBGELK-HZSPNIEDSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776518306 585699675 /nfs/dbraw/zinc/69/96/75/585699675.db2.gz UDGJFRHBXBGELK-MGPQQGTHSA-N 1 1 249.354 2.063 20 30 BEEDMO C#CCCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777742718 585719518 /nfs/dbraw/zinc/71/95/18/585719518.db2.gz IZCLUEIECWCBEV-CQSZACIVSA-N 1 1 221.344 2.291 20 30 BEEDMO CC(C)CC(N)=[NH+]OCCC(C)(C)C#N ZINC000777752188 585719597 /nfs/dbraw/zinc/71/95/97/585719597.db2.gz XYMCURKMEFCBAC-UHFFFAOYSA-N 1 1 211.309 2.471 20 30 BEEDMO C=CC[N@H+](C)Cc1cccc2nsnc21 ZINC000778160857 585726542 /nfs/dbraw/zinc/72/65/42/585726542.db2.gz GZUZMGDDMZRYPE-UHFFFAOYSA-N 1 1 219.313 2.309 20 30 BEEDMO CCCCCCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000778254352 585729947 /nfs/dbraw/zinc/72/99/47/585729947.db2.gz XLWLWTLURFSEGN-LBPRGKRZSA-N 1 1 226.364 2.119 20 30 BEEDMO C[C@H](C#N)OC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000779123858 585745451 /nfs/dbraw/zinc/74/54/51/585745451.db2.gz YCBODNUEWVNQKV-SNVBAGLBSA-N 1 1 238.331 2.095 20 30 BEEDMO COCc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779809482 585765675 /nfs/dbraw/zinc/76/56/75/585765675.db2.gz XXWSLRBQPMBNNN-UHFFFAOYSA-N 1 1 241.294 2.096 20 30 BEEDMO CCc1ccc(C=NNc2cc[nH+]cc2)o1 ZINC000779809818 585766113 /nfs/dbraw/zinc/76/61/13/585766113.db2.gz VHLSFMYOMUEVPZ-UHFFFAOYSA-N 1 1 215.256 2.105 20 30 BEEDMO CCc1cnccc1C(C)=NNc1cc[nH+]cc1 ZINC000779810519 585766253 /nfs/dbraw/zinc/76/62/53/585766253.db2.gz FGJXQTMUGOJEQA-UHFFFAOYSA-N 1 1 240.310 2.297 20 30 BEEDMO C(=NNc1cc[nH+]cc1)c1cncc2ccccc12 ZINC000779812373 585766554 /nfs/dbraw/zinc/76/65/54/585766554.db2.gz RUPOISWFOVQQKP-UHFFFAOYSA-N 1 1 248.289 2.498 20 30 BEEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccncc1 ZINC000780328252 585777778 /nfs/dbraw/zinc/77/77/78/585777778.db2.gz AODGZIMZWPFVJK-NSHDSACASA-N 1 1 238.294 2.199 20 30 BEEDMO C[C@H]1C(=NN2CC[NH+](C)CC2)CCC[C@@H]1C ZINC000781114744 585790437 /nfs/dbraw/zinc/79/04/37/585790437.db2.gz BHENGYAOBSGCGO-NWDGAFQWSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccnc(F)c1 ZINC000781124806 585790788 /nfs/dbraw/zinc/79/07/88/585790788.db2.gz LSFYJFKZDZFXFE-SECBINFHSA-N 1 1 248.305 2.103 20 30 BEEDMO C[C@@H]1CC(N=Nc2ccnc(F)c2)CC[N@H+]1C ZINC000781127294 585791040 /nfs/dbraw/zinc/79/10/40/585791040.db2.gz LVMVLQQVACNBEL-SECBINFHSA-N 1 1 236.294 2.103 20 30 BEEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748658 585838712 /nfs/dbraw/zinc/83/87/12/585838712.db2.gz QTIRMCBEXBEQOY-GXTWGEPZSA-N 1 1 245.326 2.147 20 30 BEEDMO CC[C@H]1CCC[C@@H](C=NN2CC[NH+](C)CC2)C1 ZINC000783774386 585842782 /nfs/dbraw/zinc/84/27/82/585842782.db2.gz UZLZWGORWSJPSR-UONOGXRCSA-N 1 1 237.391 2.436 20 30 BEEDMO C[C@H]1CCCC[C@@H]1C=NN1CC[NH+](C)CC1 ZINC000783774693 585842821 /nfs/dbraw/zinc/84/28/21/585842821.db2.gz ZIJMBWLTFNRGEK-QWHCGFSZSA-N 1 1 223.364 2.046 20 30 BEEDMO C[C@H]1CCOCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000784265929 585853747 /nfs/dbraw/zinc/85/37/47/585853747.db2.gz BNWBDRKMJFNIRA-ZDUSSCGKSA-N 1 1 244.338 2.363 20 30 BEEDMO 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C=CC(C)(C)CCCNC(=O)Cn1cc[nH+]c1C ZINC000832714957 587679087 /nfs/dbraw/zinc/67/90/87/587679087.db2.gz UGDQVOXGRVBCLR-UHFFFAOYSA-N 1 1 249.358 2.300 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@H](COC)CC1 ZINC000832740852 587681875 /nfs/dbraw/zinc/68/18/75/587681875.db2.gz YNKBUOTUVCESCH-NSHDSACASA-N 1 1 217.740 2.487 20 30 BEEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](COC)CC1 ZINC000832740850 587682021 /nfs/dbraw/zinc/68/20/21/587682021.db2.gz YNKBUOTUVCESCH-LLVKDONJSA-N 1 1 217.740 2.487 20 30 BEEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000834383494 587753865 /nfs/dbraw/zinc/75/38/65/587753865.db2.gz UFZZXIJGMATRBH-CABCVRRESA-N 1 1 242.322 2.076 20 30 BEEDMO Nc1ccc2c(n1)CCCC2=[NH+]OC1CCC1 ZINC000834979911 587775496 /nfs/dbraw/zinc/77/54/96/587775496.db2.gz SOGBVHJPXJFTPF-UHFFFAOYSA-N 1 1 231.299 2.273 20 30 BEEDMO CC(=[NH+]OC(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000835001376 587776785 /nfs/dbraw/zinc/77/67/85/587776785.db2.gz FWVPMOFRXKBEBL-UHFFFAOYSA-N 1 1 237.259 2.326 20 30 BEEDMO C=CCCCCCCNC(=O)Cn1cc[nH+]c1C ZINC000837652453 587887772 /nfs/dbraw/zinc/88/77/72/587887772.db2.gz YJJZDDRIEAJSIV-UHFFFAOYSA-N 1 1 249.358 2.444 20 30 BEEDMO CC(C)C[C@@H]1CCCC(N=NC2=[NH+]CCN2)C1 ZINC000841659263 587969005 /nfs/dbraw/zinc/96/90/05/587969005.db2.gz ILMSGPBSFOHCOI-NSHDSACASA-N 1 1 236.363 2.128 20 30 BEEDMO C1CC(N=NC2=[NH+]CCN2)C2(C1)CCCCC2 ZINC000841660790 587970022 /nfs/dbraw/zinc/97/00/22/587970022.db2.gz UMPYXPBWZQBCLU-UHFFFAOYSA-N 1 1 234.347 2.026 20 30 BEEDMO CC(C)=CCC[C@@H](C)CCN=NC1=[NH+]CCN1 ZINC000841661582 587970511 /nfs/dbraw/zinc/97/05/11/587970511.db2.gz MMUFDPNCALTDRW-GFCCVEGCSA-N 1 1 236.363 2.294 20 30 BEEDMO CC1(C)CC(N=NC2=[NH+]CCN2)CC(C)(C)C1 ZINC000841662559 587970662 /nfs/dbraw/zinc/97/06/62/587970662.db2.gz YLLQYJGLYXZJJM-UHFFFAOYSA-N 1 1 236.363 2.128 20 30 BEEDMO CC(C)CC(N)=[NH+]OCC1(C#N)CCC1 ZINC000842025359 587990227 /nfs/dbraw/zinc/99/02/27/587990227.db2.gz NGMRUJAUEIMHHT-UHFFFAOYSA-N 1 1 209.293 2.225 20 30 BEEDMO N#CC1(CONC(=[NH2+])c2ccccc2F)CCC1 ZINC000842064568 587995179 /nfs/dbraw/zinc/99/51/79/587995179.db2.gz YDOYLIWHRKFNFQ-UHFFFAOYSA-N 1 1 247.273 2.366 20 30 BEEDMO CCCON=Cc1[nH+]c(C)n2ccccc12 ZINC000842565363 588042635 /nfs/dbraw/zinc/04/26/35/588042635.db2.gz GFQCJLDSQFQNOG-UHFFFAOYSA-N 1 1 217.272 2.403 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cn2cccnc2=S)C1 ZINC000842630186 588046640 /nfs/dbraw/zinc/04/66/40/588046640.db2.gz ZKOOMIAORVKEDZ-GFCCVEGCSA-N 1 1 247.367 2.305 20 30 BEEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)n[nH]c2C)C1 ZINC000843423686 588108001 /nfs/dbraw/zinc/10/80/01/588108001.db2.gz IDYOBQIEIIGFLD-CYBMUJFWSA-N 1 1 231.343 2.262 20 30 BEEDMO N#CCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437729 588192967 /nfs/dbraw/zinc/19/29/67/588192967.db2.gz VXODTTQCPIRDAD-VIFPVBQESA-N 1 1 200.232 2.021 20 30 BEEDMO N#CCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437729 588192968 /nfs/dbraw/zinc/19/29/68/588192968.db2.gz VXODTTQCPIRDAD-VIFPVBQESA-N 1 1 200.232 2.021 20 30 BEEDMO FC1(F)[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000844455837 588196300 /nfs/dbraw/zinc/19/63/00/588196300.db2.gz CJUYNDODEDOEFD-BETUJISGSA-N 1 1 233.261 2.235 20 30 BEEDMO FC1(F)[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000844455837 588196301 /nfs/dbraw/zinc/19/63/01/588196301.db2.gz CJUYNDODEDOEFD-BETUJISGSA-N 1 1 233.261 2.235 20 30 BEEDMO CC[C@]1(C)CCCC1=NN1CC[NH+](C)CC1 ZINC000844564693 588203232 /nfs/dbraw/zinc/20/32/32/588203232.db2.gz CSYFWCOYTMKBLI-CYBMUJFWSA-N 1 1 223.364 2.190 20 30 BEEDMO C=CCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000844642200 588211819 /nfs/dbraw/zinc/21/18/19/588211819.db2.gz HXRUUUZKJAQBTD-JHJVBQTASA-N 1 1 238.375 2.282 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1cc2cnccc2o1 ZINC000845909829 588250235 /nfs/dbraw/zinc/25/02/35/588250235.db2.gz GPRMOEDNHRBDQX-UHFFFAOYSA-N 1 1 238.290 2.286 20 30 BEEDMO C#CC[N@H+](CC#CC)Cc1cc2cnccc2o1 ZINC000845909829 588250236 /nfs/dbraw/zinc/25/02/36/588250236.db2.gz GPRMOEDNHRBDQX-UHFFFAOYSA-N 1 1 238.290 2.286 20 30 BEEDMO CC[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011770 588253541 /nfs/dbraw/zinc/25/35/41/588253541.db2.gz ZBMNSWXDQFJBBN-KBPBESRZSA-N 1 1 249.402 2.390 20 30 BEEDMO CC(C)Cc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000846770262 588287201 /nfs/dbraw/zinc/28/72/01/588287201.db2.gz ORVBNZHDMBOMOI-SNVBAGLBSA-N 1 1 236.319 2.352 20 30 BEEDMO C=CCCn1cc(C[N@@H+](CC=C)C(C)C)nn1 ZINC000846775869 588287642 /nfs/dbraw/zinc/28/76/42/588287642.db2.gz DMVFRAQBPAUPPJ-UHFFFAOYSA-N 1 1 234.347 2.251 20 30 BEEDMO C=CCCn1cc(C[N@H+](CC=C)C(C)C)nn1 ZINC000846775869 588287643 /nfs/dbraw/zinc/28/76/43/588287643.db2.gz DMVFRAQBPAUPPJ-UHFFFAOYSA-N 1 1 234.347 2.251 20 30 BEEDMO C=CC[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846861230 588294111 /nfs/dbraw/zinc/29/41/11/588294111.db2.gz KDQHKWDHGKGMGG-UHFFFAOYSA-N 1 1 214.671 2.492 20 30 BEEDMO C=CC[N@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846861230 588294112 /nfs/dbraw/zinc/29/41/12/588294112.db2.gz KDQHKWDHGKGMGG-UHFFFAOYSA-N 1 1 214.671 2.492 20 30 BEEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846873607 588294848 /nfs/dbraw/zinc/29/48/48/588294848.db2.gz CXUVTBHAOCKUOD-UHFFFAOYSA-N 1 1 229.283 2.066 20 30 BEEDMO C[N@H+](Cc1ccc2nonc2c1)CC(C)(C)C#N ZINC000846921620 588296666 /nfs/dbraw/zinc/29/66/66/588296666.db2.gz BQFPVOXAPCGNRS-UHFFFAOYSA-N 1 1 244.298 2.204 20 30 BEEDMO C[N@@H+](Cc1ccc2nonc2c1)CC(C)(C)C#N ZINC000846921620 588296667 /nfs/dbraw/zinc/29/66/67/588296667.db2.gz BQFPVOXAPCGNRS-UHFFFAOYSA-N 1 1 244.298 2.204 20 30 BEEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000846995036 588301009 /nfs/dbraw/zinc/30/10/09/588301009.db2.gz RFGTXTSMEYQREI-OLZOCXBDSA-N 1 1 236.290 2.141 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2oc(CC)nc2C)C1 ZINC000847018479 588301917 /nfs/dbraw/zinc/30/19/17/588301917.db2.gz KIMPTKSRLLUJOK-LBPRGKRZSA-N 1 1 232.327 2.391 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000847019450 588302029 /nfs/dbraw/zinc/30/20/29/588302029.db2.gz QMAFIGOOSVCIPH-LBPRGKRZSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000847019047 588302173 /nfs/dbraw/zinc/30/21/73/588302173.db2.gz NYDMAYVJEGDMEV-LLVKDONJSA-N 1 1 218.275 2.066 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000847019047 588302174 /nfs/dbraw/zinc/30/21/74/588302174.db2.gz NYDMAYVJEGDMEV-LLVKDONJSA-N 1 1 218.275 2.066 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2oc(C)nc2C)C1 ZINC000847019572 588302312 /nfs/dbraw/zinc/30/23/12/588302312.db2.gz RRDAVVGCPJWWCZ-LBPRGKRZSA-N 1 1 218.300 2.137 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000847019531 588302402 /nfs/dbraw/zinc/30/24/02/588302402.db2.gz RCMZFWXCLWZHIT-SECBINFHSA-N 1 1 205.223 2.284 20 30 BEEDMO C#C[C@H]1CCC[N@H+](CCc2c(C)noc2C)C1 ZINC000847021350 588302551 /nfs/dbraw/zinc/30/25/51/588302551.db2.gz JUVQSOOLCKCRIS-ZDUSSCGKSA-N 1 1 232.327 2.179 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCC)n2)C1 ZINC000847021913 588302584 /nfs/dbraw/zinc/30/25/84/588302584.db2.gz QLASDSNFHGYNLP-ZDUSSCGKSA-N 1 1 244.338 2.326 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000847022094 588302896 /nfs/dbraw/zinc/30/28/96/588302896.db2.gz SCEDHSWASOBQCC-OAHLLOKOSA-N 1 1 234.387 2.208 20 30 BEEDMO C#C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000847022094 588302897 /nfs/dbraw/zinc/30/28/97/588302897.db2.gz SCEDHSWASOBQCC-OAHLLOKOSA-N 1 1 234.387 2.208 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC000847021018 588302938 /nfs/dbraw/zinc/30/29/38/588302938.db2.gz HPIXKNJFGGOVMK-CHWSQXEVSA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2cccnc2)C1 ZINC000847025113 588303567 /nfs/dbraw/zinc/30/35/67/588303567.db2.gz VDZGHLDKAGIVRY-CHWSQXEVSA-N 1 1 214.312 2.488 20 30 BEEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000847025762 588303773 /nfs/dbraw/zinc/30/37/73/588303773.db2.gz WUQNFBXTSNGGJA-MNOVXSKESA-N 1 1 233.315 2.038 20 30 BEEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000847025762 588303774 /nfs/dbraw/zinc/30/37/74/588303774.db2.gz WUQNFBXTSNGGJA-MNOVXSKESA-N 1 1 233.315 2.038 20 30 BEEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000847032979 588304388 /nfs/dbraw/zinc/30/43/88/588304388.db2.gz ZMCBCWQSSWITDL-WFASDCNBSA-N 1 1 247.313 2.204 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000847032628 588304455 /nfs/dbraw/zinc/30/44/55/588304455.db2.gz DEZVFBWVCVVXBY-CYBMUJFWSA-N 1 1 243.354 2.065 20 30 BEEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000847032628 588304456 /nfs/dbraw/zinc/30/44/56/588304456.db2.gz DEZVFBWVCVVXBY-CYBMUJFWSA-N 1 1 243.354 2.065 20 30 BEEDMO C(ON=C1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000848409521 588379560 /nfs/dbraw/zinc/37/95/60/588379560.db2.gz BECJMMYVJBXEJR-ZDUSSCGKSA-N 1 1 222.332 2.417 20 30 BEEDMO CC(C)ON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848412668 588380453 /nfs/dbraw/zinc/38/04/53/588380453.db2.gz YQSTZSCXJISJPG-LBPRGKRZSA-N 1 1 210.321 2.416 20 30 BEEDMO CCCON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848412832 588381096 /nfs/dbraw/zinc/38/10/96/588381096.db2.gz DAJYGMGTILBRBX-LBPRGKRZSA-N 1 1 210.321 2.417 20 30 BEEDMO C=C(Cl)C[NH2+][C@H](C)c1cncnc1C ZINC000848534064 588393993 /nfs/dbraw/zinc/39/39/93/588393993.db2.gz OYWFUVRBDNKNIS-MRVPVSSYSA-N 1 1 211.696 2.188 20 30 BEEDMO CC(C)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848617810 588401940 /nfs/dbraw/zinc/40/19/40/588401940.db2.gz NDIYLMZKHNTKEF-SECBINFHSA-N 1 1 222.292 2.277 20 30 BEEDMO C[C@@H]1C[C@H]1c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848624250 588402765 /nfs/dbraw/zinc/40/27/65/588402765.db2.gz SQYAIDZDBMZKCW-BBBLOLIVSA-N 1 1 234.303 2.277 20 30 BEEDMO C=C(Br)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107800757 588409581 /nfs/dbraw/zinc/40/95/81/588409581.db2.gz BOXJJFURVULVCH-JTQLQIEISA-N 1 1 248.164 2.253 20 30 BEEDMO C#CC[N@@H+](CC#CC)Cc1cccc(CC)c1O ZINC000848887359 588417086 /nfs/dbraw/zinc/41/70/86/588417086.db2.gz UOOQYWSXEKVBFO-UHFFFAOYSA-N 1 1 241.334 2.413 20 30 BEEDMO C=CCC[N@H+](C)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848905185 588418633 /nfs/dbraw/zinc/41/86/33/588418633.db2.gz IEGQQSGLRWJLBG-HJWRWDBZSA-N 1 1 249.310 2.474 20 30 BEEDMO C#C[C@H]1CCC[N@H+](Cc2cncn2C(C)C)C1 ZINC000848923406 588421281 /nfs/dbraw/zinc/42/12/81/588421281.db2.gz DJFYXBQWZFSAOK-ZDUSSCGKSA-N 1 1 231.343 2.309 20 30 BEEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000848923159 588421379 /nfs/dbraw/zinc/42/13/79/588421379.db2.gz ACRCFZBOZQLXIN-GFCCVEGCSA-N 1 1 215.296 2.237 20 30 BEEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000851712716 588615726 /nfs/dbraw/zinc/61/57/26/588615726.db2.gz SEPCTZZFPWBMOP-ZDUSSCGKSA-N 1 1 247.338 2.338 20 30 BEEDMO C#CCOCC[N@H+](CC=C)Cc1ccccc1 ZINC000851713882 588615756 /nfs/dbraw/zinc/61/57/56/588615756.db2.gz CIVOIKUGSACNEZ-UHFFFAOYSA-N 1 1 229.323 2.324 20 30 BEEDMO C#CCOCC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000851720597 588617260 /nfs/dbraw/zinc/61/72/60/588617260.db2.gz OKHNOKDXJUCVFD-CYBMUJFWSA-N 1 1 229.323 2.256 20 30 BEEDMO C#CCOCC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000851727554 588618750 /nfs/dbraw/zinc/61/87/50/588618750.db2.gz QSPOBHHAEIDJPG-STQMWFEESA-N 1 1 209.333 2.147 20 30 BEEDMO C#CCOCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC000851729787 588619048 /nfs/dbraw/zinc/61/90/48/588619048.db2.gz HGLDRJDXKPBRLY-UHFFFAOYSA-N 1 1 247.338 2.167 20 30 BEEDMO C=CC[N@@H+](C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851731514 588619669 /nfs/dbraw/zinc/61/96/69/588619669.db2.gz SNXFEFWRZBBAJV-LLVKDONJSA-N 1 1 213.321 2.034 20 30 BEEDMO C#CCOCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000851773443 588625857 /nfs/dbraw/zinc/62/58/57/588625857.db2.gz VGCXSQDIRJTKQZ-HNNXBMFYSA-N 1 1 233.355 2.459 20 30 BEEDMO C#CCOCC[N@@H+]1CCC[C@H](CC)CC1 ZINC000851776104 588626485 /nfs/dbraw/zinc/62/64/85/588626485.db2.gz GSUYGSRYSWNPQL-ZDUSSCGKSA-N 1 1 209.333 2.148 20 30 BEEDMO C#CCOCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000851779362 588626715 /nfs/dbraw/zinc/62/67/15/588626715.db2.gz SMDXZUNVIBHIFC-GFCCVEGCSA-N 1 1 247.313 2.395 20 30 BEEDMO C#CCOCC[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000851800718 588630762 /nfs/dbraw/zinc/63/07/62/588630762.db2.gz PHZDJAOWDNDPHA-ZFWWWQNUSA-N 1 1 229.323 2.329 20 30 BEEDMO 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