smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000079318188 185164953 /nfs/dbraw/zinc/16/49/53/185164953.db2.gz CRCOVQHKXVZOOY-UHFFFAOYSA-N 1 1 305.834 4.079 20 30 DIEDMO CC(C)[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000079318188 185164954 /nfs/dbraw/zinc/16/49/54/185164954.db2.gz CRCOVQHKXVZOOY-UHFFFAOYSA-N 1 1 305.834 4.079 20 30 DIEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000097006613 185396544 /nfs/dbraw/zinc/39/65/44/185396544.db2.gz ZDRNKDRAVRHTEJ-UHFFFAOYSA-N 1 1 315.244 4.220 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2cocn2)C(C)(C)C)cc1 ZINC000191922727 335017734 /nfs/dbraw/zinc/01/77/34/335017734.db2.gz AOMMMKMYPSUUGI-UHFFFAOYSA-N 1 1 300.402 4.040 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2cocn2)C(C)(C)C)cc1 ZINC000191922727 335017736 /nfs/dbraw/zinc/01/77/36/335017736.db2.gz AOMMMKMYPSUUGI-UHFFFAOYSA-N 1 1 300.402 4.040 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccc(OC)cc1OC)c1ccco1 ZINC000285986993 335031336 /nfs/dbraw/zinc/03/13/36/335031336.db2.gz HXGWVMBBALDOGT-INIZCTEOSA-N 1 1 301.386 4.094 20 30 DIEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000193314320 335048785 /nfs/dbraw/zinc/04/87/85/335048785.db2.gz FJIQIQQVCDIDRL-GOSISDBHSA-N 1 1 311.429 4.224 20 30 DIEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000193314320 335048786 /nfs/dbraw/zinc/04/87/86/335048786.db2.gz FJIQIQQVCDIDRL-GOSISDBHSA-N 1 1 311.429 4.224 20 30 DIEDMO N#Cc1ccc(C[N@@H+](CCCCOc2ccccc2)C2CC2)cc1 ZINC000525866818 335050960 /nfs/dbraw/zinc/05/09/60/335050960.db2.gz OXNZZBKXLXVEEF-UHFFFAOYSA-N 1 1 320.436 4.382 20 30 DIEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275701871 130366504 /nfs/dbraw/zinc/36/65/04/130366504.db2.gz QNAGJQRJGAKXAS-MAUKXSAKSA-N 1 1 306.409 4.117 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550167 335075267 /nfs/dbraw/zinc/07/52/67/335075267.db2.gz MMSMUPHYJYTBSG-IAGOWNOFSA-N 1 1 320.864 4.168 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc(C#N)c3ccccc3n2)C1 ZINC000522902718 434935449 /nfs/dbraw/zinc/93/54/49/434935449.db2.gz DPKAJZPJQDWURV-MRXNPFEDSA-N 1 1 322.456 4.030 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1cccs1 ZINC000311233760 331835654 /nfs/dbraw/zinc/83/56/54/331835654.db2.gz YLWDSHJEQLQEGC-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(Cl)c1Cl ZINC000558236383 331885994 /nfs/dbraw/zinc/88/59/94/331885994.db2.gz WDCGAZSRYHEQNL-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000520042376 332030822 /nfs/dbraw/zinc/03/08/22/332030822.db2.gz CPQNRPWQJYKBQI-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000409446905 332032481 /nfs/dbraw/zinc/03/24/81/332032481.db2.gz WMZQHSUJKUIUKX-KRWDZBQOSA-N 1 1 302.487 4.497 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000409447945 332033398 /nfs/dbraw/zinc/03/33/98/332033398.db2.gz HPOHXKDMQUOHHL-LJQANCHMSA-N 1 1 314.473 4.078 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000409447943 332033613 /nfs/dbraw/zinc/03/36/13/332033613.db2.gz DKXVKQWLFQDYDS-LJQANCHMSA-N 1 1 314.473 4.040 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc2ccccc2c1 ZINC000410332359 332112098 /nfs/dbraw/zinc/11/20/98/332112098.db2.gz JLQUGDUPKGOUSR-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)c1ccc(F)cc1 ZINC000410332559 332112105 /nfs/dbraw/zinc/11/21/05/332112105.db2.gz LAAYGZHNXIWAJY-MRXNPFEDSA-N 1 1 318.436 4.309 20 30 DIEDMO CC[N@@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C[C@H](C)C#N ZINC000091983553 332116598 /nfs/dbraw/zinc/11/65/98/332116598.db2.gz JKGZZYUHCJUNOD-OAHLLOKOSA-N 1 1 309.413 4.164 20 30 DIEDMO CC[N@H+](Cc1ccc(Oc2cccnc2)c(C)c1)C[C@H](C)C#N ZINC000091983553 332116600 /nfs/dbraw/zinc/11/66/00/332116600.db2.gz JKGZZYUHCJUNOD-OAHLLOKOSA-N 1 1 309.413 4.164 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C1CC1)C1CC1 ZINC000427019855 332164561 /nfs/dbraw/zinc/16/45/61/332164561.db2.gz NWMPTECQAHVCSQ-UHFFFAOYSA-N 1 1 307.359 4.177 20 30 DIEDMO CSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426993571 332164811 /nfs/dbraw/zinc/16/48/11/332164811.db2.gz DAHKQLPASXXZFS-CYBMUJFWSA-N 1 1 315.404 4.130 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)cc1 ZINC000181650526 332205865 /nfs/dbraw/zinc/20/58/65/332205865.db2.gz UZQHUUPLMCMYER-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccno1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363710999 332226765 /nfs/dbraw/zinc/22/67/65/332226765.db2.gz IBQKPAKNNSNLNY-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000187755674 332260637 /nfs/dbraw/zinc/26/06/37/332260637.db2.gz CSDUZJDSNJWLPI-SFHVURJKSA-N 1 1 316.326 4.383 20 30 DIEDMO N#CCSCCC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC000152500725 332303718 /nfs/dbraw/zinc/30/37/18/332303718.db2.gz KRSRERVNGYXCDE-ROUUACIJSA-N 1 1 300.471 4.035 20 30 DIEDMO C=CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000560514000 332348525 /nfs/dbraw/zinc/34/85/25/332348525.db2.gz ATLVUIXRODPQGU-ROUUACIJSA-N 1 1 304.478 4.389 20 30 DIEDMO C=CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000560513998 332348621 /nfs/dbraw/zinc/34/86/21/332348621.db2.gz ATLVUIXRODPQGU-QZTJIDSGSA-N 1 1 304.478 4.389 20 30 DIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)cc1 ZINC000560543375 332356090 /nfs/dbraw/zinc/35/60/90/332356090.db2.gz ZQJAYFQZMVFEOI-FQEVSTJZSA-N 1 1 320.436 4.022 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCC[C@@H]21 ZINC000560621677 332369832 /nfs/dbraw/zinc/36/98/32/332369832.db2.gz YFTUVMRNMSGRDA-OALUTQOASA-N 1 1 312.457 4.380 20 30 DIEDMO N#CCCCC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153634941 332398704 /nfs/dbraw/zinc/39/87/04/332398704.db2.gz NYKBPGGVUPWRDA-UHFFFAOYSA-N 1 1 308.347 4.488 20 30 DIEDMO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000169287209 332628309 /nfs/dbraw/zinc/62/83/09/332628309.db2.gz LBTMYYNOZJPYKB-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO CC(C)C[N@@H+](CCCC(C)(C)C#N)C[C@H](O)c1ccc(F)cc1 ZINC000174867036 333092098 /nfs/dbraw/zinc/09/20/98/333092098.db2.gz KEIQLFIWYKPGPV-SFHVURJKSA-N 1 1 320.452 4.147 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000184096092 333192153 /nfs/dbraw/zinc/19/21/53/333192153.db2.gz GBMXLJPRFDHUAN-GOSISDBHSA-N 1 1 323.440 4.059 20 30 DIEDMO C=CC(C)(C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000294473857 335123238 /nfs/dbraw/zinc/12/32/38/335123238.db2.gz NNXGOYFDHATMIR-UHFFFAOYSA-N 1 1 311.429 4.206 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+]1Cc2cccc(Br)c2C1 ZINC000186582296 333220537 /nfs/dbraw/zinc/22/05/37/333220537.db2.gz YVQRWPMFVZVVRG-UHFFFAOYSA-N 1 1 307.235 4.095 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1Cc2cccc(Br)c2C1 ZINC000186582296 333220538 /nfs/dbraw/zinc/22/05/38/333220538.db2.gz YVQRWPMFVZVVRG-UHFFFAOYSA-N 1 1 307.235 4.095 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590815 333266564 /nfs/dbraw/zinc/26/65/64/333266564.db2.gz OFNZIEXSFKGWMU-INIZCTEOSA-N 1 1 324.424 4.029 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000497597004 333267203 /nfs/dbraw/zinc/26/72/03/333267203.db2.gz RASRVTCAKATXDN-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000525779394 333301403 /nfs/dbraw/zinc/30/14/03/333301403.db2.gz GHDBTKGHVAPQCL-GOSISDBHSA-N 1 1 308.450 4.172 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccsc1Br)c1cccc(C#N)c1 ZINC000388547135 333325168 /nfs/dbraw/zinc/32/51/68/333325168.db2.gz IUFFFWOFJMBAOC-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000188523427 333370645 /nfs/dbraw/zinc/37/06/45/333370645.db2.gz YNNBKZPADOTYFB-FXAWDEMLSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000337185247 333442733 /nfs/dbraw/zinc/44/27/33/333442733.db2.gz OSPXOIPTZBXSKO-IBGZPJMESA-N 1 1 318.424 4.064 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nc2c(s1)CCC2 ZINC000414157121 333914196 /nfs/dbraw/zinc/91/41/96/333914196.db2.gz RFGLMGQOYYTBJA-QWRGUYRKSA-N 1 1 315.417 4.054 20 30 DIEDMO C=CC[C@H](Cc1ccccc1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000414309671 333937230 /nfs/dbraw/zinc/93/72/30/333937230.db2.gz VJIVCABEEGOSJT-LJQANCHMSA-N 1 1 300.490 4.026 20 30 DIEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000414525880 334007155 /nfs/dbraw/zinc/00/71/55/334007155.db2.gz NHLIALRCPRVYIO-INIZCTEOSA-N 1 1 322.456 4.084 20 30 DIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000270088291 334007333 /nfs/dbraw/zinc/00/73/33/334007333.db2.gz AGXQONQZHLEZCJ-KRWDZBQOSA-N 1 1 324.472 4.139 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000270317251 334011107 /nfs/dbraw/zinc/01/11/07/334011107.db2.gz JUUNYHVFOLIATG-UHFFFAOYSA-N 1 1 324.424 4.008 20 30 DIEDMO CC[N@@H+](Cc1occc1C)Cc1cccc(OCCCC#N)c1 ZINC000414553091 334016179 /nfs/dbraw/zinc/01/61/79/334016179.db2.gz SITKVQMUVUKYJO-UHFFFAOYSA-N 1 1 312.413 4.293 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271993220 334029402 /nfs/dbraw/zinc/02/94/02/334029402.db2.gz FMXUSPIZQPMTGI-HZPDHXFCSA-N 1 1 320.502 4.356 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273434375 334047046 /nfs/dbraw/zinc/04/70/46/334047046.db2.gz MAIYRNSYTWYZHZ-QZTJIDSGSA-N 1 1 318.436 4.308 20 30 DIEDMO CCn1nc(C[NH2+][C@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000274479187 334061826 /nfs/dbraw/zinc/06/18/26/334061826.db2.gz XDFCZAKUIQSLJK-GOSISDBHSA-N 1 1 318.424 4.191 20 30 DIEDMO N#CCCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276412372 334077352 /nfs/dbraw/zinc/07/73/52/334077352.db2.gz HDYZCLHMOGUEMY-GOSISDBHSA-N 1 1 308.429 4.298 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000277778269 334090780 /nfs/dbraw/zinc/09/07/80/334090780.db2.gz ROCIFBBVFMCGGL-UHFFFAOYSA-N 1 1 310.445 4.229 20 30 DIEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277830731 334091385 /nfs/dbraw/zinc/09/13/85/334091385.db2.gz WCOWTVFPGHZRDC-IVZQSRNASA-N 1 1 320.502 4.137 20 30 DIEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277830737 334091399 /nfs/dbraw/zinc/09/13/99/334091399.db2.gz WCOWTVFPGHZRDC-QRQCRPRQSA-N 1 1 320.502 4.137 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000277881975 334091702 /nfs/dbraw/zinc/09/17/02/334091702.db2.gz ZFZIEGAQHZYYAG-JKSUJKDBSA-N 1 1 320.502 4.356 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000278109286 334092916 /nfs/dbraw/zinc/09/29/16/334092916.db2.gz KWKJPTXCXALJSX-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000278812776 334101746 /nfs/dbraw/zinc/10/17/46/334101746.db2.gz BQYDBIUBWGFYER-MRXNPFEDSA-N 1 1 308.853 4.289 20 30 DIEDMO CC1(c2cccc(Cl)c2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000280653126 334118827 /nfs/dbraw/zinc/11/88/27/334118827.db2.gz ZHFFFUHVPFZDGB-HNNXBMFYSA-N 1 1 315.848 4.137 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151071 334123552 /nfs/dbraw/zinc/12/35/52/334123552.db2.gz BGURKGLWPWDHQW-HNNXBMFYSA-N 1 1 320.864 4.433 20 30 DIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(F)c1 ZINC000282043557 334130809 /nfs/dbraw/zinc/13/08/09/334130809.db2.gz RCLFOSGSOILQRW-UHFFFAOYSA-N 1 1 318.436 4.137 20 30 DIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000282070473 334130961 /nfs/dbraw/zinc/13/09/61/334130961.db2.gz SVGMRGBQHSWIEG-UHFFFAOYSA-N 1 1 318.436 4.137 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)c1 ZINC000282136166 334131814 /nfs/dbraw/zinc/13/18/14/334131814.db2.gz ZDLKMKXNEJZPLW-UHFFFAOYSA-N 1 1 324.468 4.185 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(F)cncc1F ZINC000285817480 334150324 /nfs/dbraw/zinc/15/03/24/334150324.db2.gz VIVZHGLWLDOPEQ-GFCCVEGCSA-N 1 1 315.367 4.012 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289357036 334164566 /nfs/dbraw/zinc/16/45/66/334164566.db2.gz NQVNGBABXRHACF-GOSISDBHSA-N 1 1 319.452 4.262 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H](C)c1cccnc1 ZINC000290392325 334172550 /nfs/dbraw/zinc/17/25/50/334172550.db2.gz IYESRKBJYRCYIV-QGZVFWFLSA-N 1 1 322.456 4.015 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296307570 334231674 /nfs/dbraw/zinc/23/16/74/334231674.db2.gz NVXLCRKXGRTCHQ-MRXNPFEDSA-N 1 1 308.853 4.025 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1Cl ZINC000303900954 334341991 /nfs/dbraw/zinc/34/19/91/334341991.db2.gz LJZHGUHPIFGBLB-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1Cl ZINC000303900954 334341992 /nfs/dbraw/zinc/34/19/92/334341992.db2.gz LJZHGUHPIFGBLB-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961998 334350474 /nfs/dbraw/zinc/35/04/74/334350474.db2.gz ZYWAUSYCEPUNDD-MOPGFXCFSA-N 1 1 312.457 4.118 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC(C)(C)CCC#N)c1 ZINC000535080330 334365610 /nfs/dbraw/zinc/36/56/10/334365610.db2.gz SNXZOEVFTJNRDF-QGZVFWFLSA-N 1 1 300.446 4.032 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C[C@@H]2CCCOC2)C(C)(C)C)cc1 ZINC000532021978 334376594 /nfs/dbraw/zinc/37/65/94/334376594.db2.gz HNUBKNOYTGBVFC-SFHVURJKSA-N 1 1 317.473 4.279 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc2cccnc12 ZINC000346117048 335376037 /nfs/dbraw/zinc/37/60/37/335376037.db2.gz APISHHOTROHCCF-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO C[C@@H](CCC#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494375 336038399 /nfs/dbraw/zinc/03/83/99/336038399.db2.gz RBPSUDCVGFDZPR-ZDUSSCGKSA-N 1 1 321.262 4.105 20 30 DIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000329714711 336067053 /nfs/dbraw/zinc/06/70/53/336067053.db2.gz TZBWVSUWJQBQMI-FQEVSTJZSA-N 1 1 323.440 4.359 20 30 DIEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000329714712 336067084 /nfs/dbraw/zinc/06/70/84/336067084.db2.gz 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N#Cc1ccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000378600835 337076437 /nfs/dbraw/zinc/07/64/37/337076437.db2.gz YYRGJKKEXSTFOG-LJQANCHMSA-N 1 1 320.440 4.037 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000023356111 337130561 /nfs/dbraw/zinc/13/05/61/337130561.db2.gz RPYJJPHLUZEEAQ-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000023356111 337130562 /nfs/dbraw/zinc/13/05/62/337130562.db2.gz RPYJJPHLUZEEAQ-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCOc1ccccc1Cl ZINC000532897921 337134048 /nfs/dbraw/zinc/13/40/48/337134048.db2.gz WMKUMIXQMRDOPC-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179705986 337169094 /nfs/dbraw/zinc/16/90/94/337169094.db2.gz UZIFNUIRQYJOSM-FQEVSTJZSA-N 1 1 323.440 4.045 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000582794255 337171278 /nfs/dbraw/zinc/17/12/78/337171278.db2.gz 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/nfs/dbraw/zinc/27/30/70/337273070.db2.gz GIXFMHFIJJNXIQ-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583640 337368416 /nfs/dbraw/zinc/36/84/16/337368416.db2.gz MMGBQOZWTMEADB-MRXNPFEDSA-N 1 1 308.347 4.342 20 30 DIEDMO C#CC[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1ccccc1 ZINC000271408255 337644269 /nfs/dbraw/zinc/64/42/69/337644269.db2.gz AIMXSKYAPYRBPO-HOCLYGCPSA-N 1 1 310.466 4.437 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000532990369 337804209 /nfs/dbraw/zinc/80/42/09/337804209.db2.gz UMWHOUMNMWOBHT-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1F ZINC000090117414 337878124 /nfs/dbraw/zinc/87/81/24/337878124.db2.gz YZSKJDGYJOXBTK-QGZVFWFLSA-N 1 1 304.315 4.216 20 30 DIEDMO N#Cc1ccc(CNc2cc(CCc3ccccc3)cc[nH+]2)cc1 ZINC000537399545 337935427 /nfs/dbraw/zinc/93/54/27/337935427.db2.gz WJAWWPXBJBTOJP-UHFFFAOYSA-N 1 1 313.404 4.351 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cccc(C#N)c1F ZINC000516329128 338010909 /nfs/dbraw/zinc/01/09/09/338010909.db2.gz MIPFIEQZQAFXSX-QGZVFWFLSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000516329128 338010910 /nfs/dbraw/zinc/01/09/10/338010910.db2.gz MIPFIEQZQAFXSX-QGZVFWFLSA-N 1 1 312.388 4.289 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000426422977 338031852 /nfs/dbraw/zinc/03/18/52/338031852.db2.gz XOERKVIDSNUGKC-KRWDZBQOSA-N 1 1 318.342 4.222 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)Cc1ccsc1 ZINC000426481598 338033386 /nfs/dbraw/zinc/03/33/86/338033386.db2.gz GZQKKJVUTGJSHI-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000426580048 338035095 /nfs/dbraw/zinc/03/50/95/338035095.db2.gz PCYMDFNEWJPBMA-ZDUSSCGKSA-N 1 1 323.362 4.133 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000426580048 338035096 /nfs/dbraw/zinc/03/50/96/338035096.db2.gz PCYMDFNEWJPBMA-ZDUSSCGKSA-N 1 1 323.362 4.133 20 30 DIEDMO CC(C)O[C@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000428218764 338042660 /nfs/dbraw/zinc/04/26/60/338042660.db2.gz CFXLLTCKSCSBRF-GOSISDBHSA-N 1 1 302.462 4.414 20 30 DIEDMO CC(C)O[C@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000428218764 338042661 /nfs/dbraw/zinc/04/26/61/338042661.db2.gz CFXLLTCKSCSBRF-GOSISDBHSA-N 1 1 302.462 4.414 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](CCC(C)C)c2ccoc2)CC1 ZINC000428231931 338043346 /nfs/dbraw/zinc/04/33/46/338043346.db2.gz MCLUSKJVYZGYOJ-LJQANCHMSA-N 1 1 304.478 4.387 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)s1 ZINC000428246204 338044191 /nfs/dbraw/zinc/04/41/91/338044191.db2.gz RBTBOSIMWGAEIP-MRXNPFEDSA-N 1 1 300.402 4.404 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)s1 ZINC000428246204 338044192 /nfs/dbraw/zinc/04/41/92/338044192.db2.gz RBTBOSIMWGAEIP-MRXNPFEDSA-N 1 1 300.402 4.404 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cccc(F)c1C#N ZINC000428331027 338047634 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CS[C@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000134592453 341219272 /nfs/dbraw/zinc/21/92/72/341219272.db2.gz WNWLZLYLHOVSSW-INIZCTEOSA-N 1 1 302.487 4.205 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000135177710 341232891 /nfs/dbraw/zinc/23/28/91/341232891.db2.gz DOOFSXPNQHYIPY-LJQANCHMSA-N 1 1 319.452 4.174 20 30 DIEDMO Clc1ccccc1C#CC[NH2+]C1(c2nccs2)CCCC1 ZINC000135203676 341233223 /nfs/dbraw/zinc/23/32/23/341233223.db2.gz FFXMIGCDUGVSNC-UHFFFAOYSA-N 1 1 316.857 4.207 20 30 DIEDMO N#CCSCCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000080632856 341274305 /nfs/dbraw/zinc/27/43/05/341274305.db2.gz VPUAVPYNJQADRU-UHFFFAOYSA-N 1 1 302.487 4.121 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000548787013 341275670 /nfs/dbraw/zinc/27/56/70/341275670.db2.gz UUCRHACMXUFORU-HNNXBMFYSA-N 1 1 323.371 4.151 20 30 DIEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137124 341286660 /nfs/dbraw/zinc/28/66/60/341286660.db2.gz KTUIJBVMNHFIEF-LBPRGKRZSA-N 1 1 305.422 4.303 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137124 341286661 /nfs/dbraw/zinc/28/66/61/341286661.db2.gz KTUIJBVMNHFIEF-LBPRGKRZSA-N 1 1 305.422 4.303 20 30 DIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000549527941 341296425 /nfs/dbraw/zinc/29/64/25/341296425.db2.gz YNHKDIPNYYDUKC-RDJZCZTQSA-N 1 1 305.425 4.258 20 30 DIEDMO C=CCOCC[N@H+](C)[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000549866102 341305526 /nfs/dbraw/zinc/30/55/26/341305526.db2.gz MGNQSEPBVRPOAF-HNNXBMFYSA-N 1 1 316.470 4.314 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246445564 341349048 /nfs/dbraw/zinc/34/90/48/341349048.db2.gz BOWMKTOZKKBFEP-OXQOHEQNSA-N 1 1 305.425 4.196 20 30 DIEDMO COCCc1cc[nH+]c(N[C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000552087382 341368692 /nfs/dbraw/zinc/36/86/92/341368692.db2.gz GOFAETXOMWYAAI-LJQANCHMSA-N 1 1 321.424 4.022 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2conc2CC)cc1Cl ZINC000552124181 341371118 /nfs/dbraw/zinc/37/11/18/341371118.db2.gz DNJHTAPIQNBYOD-UHFFFAOYSA-N 1 1 320.820 4.087 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2conc2CC)cc1Cl ZINC000552124181 341371119 /nfs/dbraw/zinc/37/11/19/341371119.db2.gz DNJHTAPIQNBYOD-UHFFFAOYSA-N 1 1 320.820 4.087 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000552315088 341385909 /nfs/dbraw/zinc/38/59/09/341385909.db2.gz CSLOGWPTHVWNMR-LJQANCHMSA-N 1 1 306.384 4.425 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)c(F)c1 ZINC000552315088 341385910 /nfs/dbraw/zinc/38/59/10/341385910.db2.gz CSLOGWPTHVWNMR-LJQANCHMSA-N 1 1 306.384 4.425 20 30 DIEDMO CSc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000552323544 341386536 /nfs/dbraw/zinc/38/65/36/341386536.db2.gz LDTLDRZKPAOJTQ-NSHDSACASA-N 1 1 318.392 4.409 20 30 DIEDMO CSc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000552323543 341386553 /nfs/dbraw/zinc/38/65/53/341386553.db2.gz LDTLDRZKPAOJTQ-LLVKDONJSA-N 1 1 318.392 4.409 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000552586427 341399827 /nfs/dbraw/zinc/39/98/27/341399827.db2.gz HAFGKANXQKUYOP-GOSISDBHSA-N 1 1 308.400 4.152 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000554589441 341459203 /nfs/dbraw/zinc/45/92/03/341459203.db2.gz UEURPZOGXRJGNY-QMTHXVAHSA-N 1 1 308.212 4.014 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1c(F)cccc1F ZINC000264895068 341580853 /nfs/dbraw/zinc/58/08/53/341580853.db2.gz UPLNBSGPBOLXPO-QWHCGFSZSA-N 1 1 316.351 4.279 20 30 DIEDMO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000574766623 341768270 /nfs/dbraw/zinc/76/82/70/341768270.db2.gz UMVCBNVRVLENIE-QSGSBWRWSA-N 1 1 317.845 4.155 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc(C(C)(C)C)cs1 ZINC000177697896 341924305 /nfs/dbraw/zinc/92/43/05/341924305.db2.gz SEFHEVLAVSDCJE-JTQLQIEISA-N 1 1 305.472 4.225 20 30 DIEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546140 522403335 /nfs/dbraw/zinc/40/33/35/522403335.db2.gz RNHLXMAPBJJPOZ-RHSMWYFYSA-N 1 1 324.428 4.009 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000180031615 522472471 /nfs/dbraw/zinc/47/24/71/522472471.db2.gz ASOQUVAXJUOXQA-AWEZNQCLSA-N 1 1 317.483 4.148 20 30 DIEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)c2cccc(C#N)c2)o1 ZINC000190035704 523023074 /nfs/dbraw/zinc/02/30/74/523023074.db2.gz FYCJOLNJHIUACM-RDTXWAMCSA-N 1 1 310.397 4.196 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]c2nccc(Br)c12)C(C)(C)C ZINC001139945709 1046554677 /nfs/dbraw/zinc/55/46/77/1046554677.db2.gz OFCJBZWGTCTHQI-UHFFFAOYSA-N 1 1 322.250 4.112 20 30 DIEDMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccccc1C(C)(C)C#N ZINC000154004255 1035679439 /nfs/dbraw/zinc/67/94/39/1035679439.db2.gz KHAGTPJHWKCHSK-UHFFFAOYSA-N 1 1 319.408 4.261 20 30 DIEDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccccc1C(C)(C)C#N ZINC000154004255 1035679448 /nfs/dbraw/zinc/67/94/48/1035679448.db2.gz KHAGTPJHWKCHSK-UHFFFAOYSA-N 1 1 319.408 4.261 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610216073 1035748411 /nfs/dbraw/zinc/74/84/11/1035748411.db2.gz IYYMCWXMWVCDAB-FOIQADDNSA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1c1ccccc1 ZINC000610216074 1035749344 /nfs/dbraw/zinc/74/93/44/1035749344.db2.gz IYYMCWXMWVCDAB-MGPUTAFESA-N 1 1 308.400 4.323 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217597 1035760356 /nfs/dbraw/zinc/76/03/56/1035760356.db2.gz NJBAHJACFAMDGZ-UZLBHIALSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217597 1035760369 /nfs/dbraw/zinc/76/03/69/1035760369.db2.gz NJBAHJACFAMDGZ-UZLBHIALSA-N 1 1 306.409 4.001 20 30 DIEDMO CC1CCC([N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)CC1 ZINC001167073053 1035773350 /nfs/dbraw/zinc/77/33/50/1035773350.db2.gz ZBCBQJSGUJSQMS-UHFFFAOYSA-N 1 1 313.401 4.010 20 30 DIEDMO CC1CCC([N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C2CC2)CC1 ZINC001167073053 1035773359 /nfs/dbraw/zinc/77/33/59/1035773359.db2.gz ZBCBQJSGUJSQMS-UHFFFAOYSA-N 1 1 313.401 4.010 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167083862 1035878358 /nfs/dbraw/zinc/87/83/58/1035878358.db2.gz JLVKRALDBSBYCL-GOSISDBHSA-N 1 1 321.380 4.112 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167083862 1035878372 /nfs/dbraw/zinc/87/83/72/1035878372.db2.gz JLVKRALDBSBYCL-GOSISDBHSA-N 1 1 321.380 4.112 20 30 DIEDMO C=CC[N@H+](CCC(C)(C)CC(=O)OCC)Cc1ccccc1F ZINC001167137829 1036171995 /nfs/dbraw/zinc/17/19/95/1036171995.db2.gz HZHXRRYNZXKWSI-UHFFFAOYSA-N 1 1 321.436 4.183 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC001167139264 1036179335 /nfs/dbraw/zinc/17/93/35/1036179335.db2.gz ZVAYLBSLNMDNJD-GOSISDBHSA-N 1 1 321.380 4.112 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2c(C#N)cccc2[N+](=O)[O-])c1 ZINC001167139264 1036179338 /nfs/dbraw/zinc/17/93/38/1036179338.db2.gz ZVAYLBSLNMDNJD-GOSISDBHSA-N 1 1 321.380 4.112 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001209439755 1036184641 /nfs/dbraw/zinc/18/46/41/1036184641.db2.gz XVGQZXKDPWMVQW-HXUWFJFHSA-N 1 1 320.521 4.236 20 30 DIEDMO C=CCCCCCCCC[N@H+]1CCc2onc(COC)c2C1 ZINC001209444316 1036192203 /nfs/dbraw/zinc/19/22/03/1036192203.db2.gz PGMPMDMYSKCAQE-UHFFFAOYSA-N 1 1 306.450 4.096 20 30 DIEDMO COc1cccc(C[N@@H+](CCc2ccc(C#N)cc2)CC(C)C)c1 ZINC001167199629 1036265149 /nfs/dbraw/zinc/26/51/49/1036265149.db2.gz QRZDVISVCPUNJV-UHFFFAOYSA-N 1 1 322.452 4.268 20 30 DIEDMO C=CCC[C@H]([NH2+][C@H]1CCOc2c(OC)cccc21)c1ccco1 ZINC000655850403 1036600908 /nfs/dbraw/zinc/60/09/08/1036600908.db2.gz IDQMIGMDRRHVTA-HOTGVXAUSA-N 1 1 313.397 4.409 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001167361031 1036979527 /nfs/dbraw/zinc/97/95/27/1036979527.db2.gz YLBBCBUHZLAHIK-MRXNPFEDSA-N 1 1 312.498 4.146 20 30 DIEDMO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000379680255 1037066194 /nfs/dbraw/zinc/06/61/94/1037066194.db2.gz LODXPNXSHICLBW-UZLBHIALSA-N 1 1 305.425 4.023 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000579788616 1037262274 /nfs/dbraw/zinc/26/22/74/1037262274.db2.gz UCIWPBLAPSEFCJ-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000579788616 1037262291 /nfs/dbraw/zinc/26/22/91/1037262291.db2.gz UCIWPBLAPSEFCJ-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)nc1 ZINC000580750756 1037285126 /nfs/dbraw/zinc/28/51/26/1037285126.db2.gz NYQYZNQXCLOQSI-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC2CCC(C#N)CC2)c1 ZINC001167439541 1037371091 /nfs/dbraw/zinc/37/10/91/1037371091.db2.gz ZGZCUPBACQCWJM-LBXVMSDZSA-N 1 1 311.473 4.219 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000580981045 1037397193 /nfs/dbraw/zinc/39/71/93/1037397193.db2.gz NZYGVEHCWJUVQY-IIBYNOLFSA-N 1 1 318.420 4.089 20 30 DIEDMO CCN(CC)c1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC001203155866 1037400362 /nfs/dbraw/zinc/40/03/62/1037400362.db2.gz KSWUCNCWFRWVTF-UHFFFAOYSA-N 1 1 317.452 4.236 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000581443739 1037643421 /nfs/dbraw/zinc/64/34/21/1037643421.db2.gz LJWJTFULPWMNBE-SFHVURJKSA-N 1 1 302.487 4.121 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001167465163 1037669252 /nfs/dbraw/zinc/66/92/52/1037669252.db2.gz VKAJPGLUIYFCDK-NHCUHLMSSA-N 1 1 320.436 4.046 20 30 DIEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834893703 1037718861 /nfs/dbraw/zinc/71/88/61/1037718861.db2.gz PTEZCNZDZQYTNJ-PKPZWWHKSA-N 1 1 316.228 4.083 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132811 1037819061 /nfs/dbraw/zinc/81/90/61/1037819061.db2.gz VGGOQHJLYJSGFH-LEWJYISDSA-N 1 1 320.436 4.158 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000581647643 1037829951 /nfs/dbraw/zinc/82/99/51/1037829951.db2.gz IEVGJZWMROAYDE-RBUKOAKNSA-N 1 1 317.392 4.100 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000581647643 1037829968 /nfs/dbraw/zinc/82/99/68/1037829968.db2.gz IEVGJZWMROAYDE-RBUKOAKNSA-N 1 1 317.392 4.100 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](C2CC2)C2CCCC2)c1O ZINC000754725803 1037832459 /nfs/dbraw/zinc/83/24/59/1037832459.db2.gz GNBQMRIADRNZNO-UHFFFAOYSA-N 1 1 301.430 4.036 20 30 DIEDMO C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000051150540 1037883900 /nfs/dbraw/zinc/88/39/00/1037883900.db2.gz WPXKHFVDMPTONO-NSHDSACASA-N 1 1 321.471 4.192 20 30 DIEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)C1 ZINC000051150540 1037883920 /nfs/dbraw/zinc/88/39/20/1037883920.db2.gz WPXKHFVDMPTONO-NSHDSACASA-N 1 1 321.471 4.192 20 30 DIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000477287363 1037885194 /nfs/dbraw/zinc/88/51/94/1037885194.db2.gz ZPIUKQKQGCXYGW-MRXNPFEDSA-N 1 1 324.424 4.116 20 30 DIEDMO CC[C@@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078573931 1037931559 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ZINC000135236402 1039667137 /nfs/dbraw/zinc/66/71/37/1039667137.db2.gz NJNXOCIGVZOPFC-UHFFFAOYSA-N 1 1 313.470 4.278 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC(F)F)c1 ZINC000491330356 1039779463 /nfs/dbraw/zinc/77/94/63/1039779463.db2.gz SFJRBHINNGDWIG-UHFFFAOYSA-N 1 1 307.340 4.112 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)ncn2C)[C@H](C)c1ccc(C#N)cc1 ZINC000271753181 1039806696 /nfs/dbraw/zinc/80/66/96/1039806696.db2.gz WJTPSFHAJXHVJP-OAHLLOKOSA-N 1 1 318.424 4.028 20 30 DIEDMO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000542164615 1039807980 /nfs/dbraw/zinc/80/79/80/1039807980.db2.gz AFTDHPKKCXFTOM-LZQZEXGQSA-N 1 1 310.466 4.451 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C)nc2ccccc12 ZINC000491356870 1039836464 /nfs/dbraw/zinc/83/64/64/1039836464.db2.gz SEHDYPTYUPTSEW-UHFFFAOYSA-N 1 1 306.409 4.367 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000491809067 1039880749 /nfs/dbraw/zinc/88/07/49/1039880749.db2.gz FWMSHLRKSGGGRK-KUHUBIRLSA-N 1 1 324.811 4.095 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N#Cc1ccc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)s1 ZINC000180015615 1040694384 /nfs/dbraw/zinc/69/43/84/1040694384.db2.gz OMWHPXWJEIGJJO-AWEZNQCLSA-N 1 1 314.479 4.234 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378281 1040770600 /nfs/dbraw/zinc/77/06/00/1040770600.db2.gz BPBAYMIXQACQCU-OLZOCXBDSA-N 1 1 303.431 4.147 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(C(C)(C)C)s1 ZINC000448336903 1040777990 /nfs/dbraw/zinc/77/79/90/1040777990.db2.gz JSYYMLNKZVURSB-UHFFFAOYSA-N 1 1 304.459 4.264 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(C(C)(C)C)s1 ZINC000448336903 1040778002 /nfs/dbraw/zinc/77/80/02/1040778002.db2.gz JSYYMLNKZVURSB-UHFFFAOYSA-N 1 1 304.459 4.264 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467993 1041042895 /nfs/dbraw/zinc/04/28/95/1041042895.db2.gz AERHIHAZXUREQA-CYBMUJFWSA-N 1 1 312.335 4.019 20 30 DIEDMO CC[N@@H+](CCCCCn1cc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170884473 1041074272 /nfs/dbraw/zinc/07/42/72/1041074272.db2.gz 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1041248560 /nfs/dbraw/zinc/24/85/60/1041248560.db2.gz PZGWHJFFTGTPCE-LJQANCHMSA-N 1 1 307.441 4.125 20 30 DIEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000756061504 1041296317 /nfs/dbraw/zinc/29/63/17/1041296317.db2.gz JEJDISWHEGOVPB-OAHLLOKOSA-N 1 1 307.846 4.036 20 30 DIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000756061504 1041296327 /nfs/dbraw/zinc/29/63/27/1041296327.db2.gz JEJDISWHEGOVPB-OAHLLOKOSA-N 1 1 307.846 4.036 20 30 DIEDMO COc1ccc2cc([C@H](C)[NH2+]Cc3nc(C#N)cs3)ccc2c1 ZINC000810137785 1041319165 /nfs/dbraw/zinc/31/91/65/1041319165.db2.gz XEJZUKHDAILECY-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811479636 1041528811 /nfs/dbraw/zinc/52/88/11/1041528811.db2.gz KPKBAIHTDMBMEN-UHFFFAOYSA-N 1 1 323.223 4.243 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC)c(F)c1)c1ccc(Cl)cc1 ZINC000811516768 1041528968 /nfs/dbraw/zinc/52/89/68/1041528968.db2.gz AZOAPEUGJQOYJM-KRWDZBQOSA-N 1 1 317.791 4.342 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccncc1 ZINC000811481365 1041528997 /nfs/dbraw/zinc/52/89/97/1041528997.db2.gz YTNWGXOMFLBBAC-CYBMUJFWSA-N 1 1 308.212 4.190 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC001170639551 1041546461 /nfs/dbraw/zinc/54/64/61/1041546461.db2.gz QGKNKXSICKJGJY-SXGZJXTBSA-N 1 1 308.400 4.464 20 30 DIEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NOC/C=C/Cl)CC1 ZINC000811669401 1041552480 /nfs/dbraw/zinc/55/24/80/1041552480.db2.gz DOQOPXDBLMFESY-SLEUQVBISA-N 1 1 306.837 4.186 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650701 1041583352 /nfs/dbraw/zinc/58/33/52/1041583352.db2.gz PPZNYIPKZOQUME-VCBZYWHSSA-N 1 1 308.400 4.464 20 30 DIEDMO COc1cc(C[NH2+]Cc2ccc(Cl)cc2Cl)ccc1C#N ZINC000584689905 1041643212 /nfs/dbraw/zinc/64/32/12/1041643212.db2.gz LFVJMHAXYXQYPY-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812792557 1041645590 /nfs/dbraw/zinc/64/55/90/1041645590.db2.gz BQAWZHXFUMSPQO-MRXNPFEDSA-N 1 1 307.290 4.309 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000812793542 1041650755 /nfs/dbraw/zinc/65/07/55/1041650755.db2.gz UMDTXNFPWHPHIY-MRXNPFEDSA-N 1 1 318.189 4.052 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(-c2ccccn2)c1)c1ccc(F)cc1 ZINC000812793362 1041651332 /nfs/dbraw/zinc/65/13/32/1041651332.db2.gz QTMBZPQDUCODMN-HXUWFJFHSA-N 1 1 316.379 4.352 20 30 DIEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CCC1 ZINC000418139130 1041730702 /nfs/dbraw/zinc/73/07/02/1041730702.db2.gz HNJQHNGHWFCZLC-UHFFFAOYSA-N 1 1 317.845 4.247 20 30 DIEDMO COc1cc(-c2ccccc2)ccc1C[NH2+]CC1(C#N)CCC1 ZINC000418144378 1041730730 /nfs/dbraw/zinc/73/07/30/1041730730.db2.gz SZQHKYSKKQXECR-UHFFFAOYSA-N 1 1 306.409 4.146 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1(C)C ZINC000759923421 1041841405 /nfs/dbraw/zinc/84/14/05/1041841405.db2.gz QOPCBDIQABHJSF-ZDUSSCGKSA-N 1 1 306.837 4.110 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000814640309 1041846964 /nfs/dbraw/zinc/84/69/64/1041846964.db2.gz BDPKCAUMFYOWDS-FQEVSTJZSA-N 1 1 320.436 4.141 20 30 DIEDMO CC(N=Nc1ccccc1Cl)c1ccc(C[NH+](C)C)cc1 ZINC000814690886 1041854518 /nfs/dbraw/zinc/85/45/18/1041854518.db2.gz CSLPRJILYFOGMN-UHFFFAOYSA-N 1 1 301.821 4.238 20 30 DIEDMO CCC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1cccc(N)c1 ZINC000814793052 1041867608 /nfs/dbraw/zinc/86/76/08/1041867608.db2.gz VXWMITSSXKOFPT-UHFFFAOYSA-N 1 1 323.318 4.394 20 30 DIEDMO Clc1cccc(CN[NH+]=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000814867552 1041878943 /nfs/dbraw/zinc/87/89/43/1041878943.db2.gz JRMRJXZDPFZZDG-CYBMUJFWSA-N 1 1 311.816 4.137 20 30 DIEDMO CCc1cccc(C)c1N[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814923312 1041890954 /nfs/dbraw/zinc/89/09/54/1041890954.db2.gz OZBPLGVRRAVSPF-UHFFFAOYSA-N 1 1 303.356 4.254 20 30 DIEDMO C=CC[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H](C)COC ZINC000661246865 1041910660 /nfs/dbraw/zinc/91/06/60/1041910660.db2.gz KRTUREIMSBTSFN-ZDUSSCGKSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)[C@@H](C)COC ZINC000661246865 1041910666 /nfs/dbraw/zinc/91/06/66/1041910666.db2.gz KRTUREIMSBTSFN-ZDUSSCGKSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199928 1041929116 /nfs/dbraw/zinc/92/91/16/1041929116.db2.gz FFMCQNITECEOEI-SJORKVTESA-N 1 1 322.493 4.064 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381017 1041929373 /nfs/dbraw/zinc/92/93/73/1041929373.db2.gz SXRLDILULXFKRQ-RDJZCZTQSA-N 1 1 311.429 4.010 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378534 1041929956 /nfs/dbraw/zinc/92/99/56/1041929956.db2.gz IGMXRVDSMVNOQU-HZPDHXFCSA-N 1 1 311.429 4.394 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201358 1041934067 /nfs/dbraw/zinc/93/40/67/1041934067.db2.gz LHRQXWOKKOQRGY-IAGOWNOFSA-N 1 1 322.493 4.064 20 30 DIEDMO 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20 30 DIEDMO CC(C)(C#N)CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000267401610 1043307641 /nfs/dbraw/zinc/30/76/41/1043307641.db2.gz IYMXXULXWRUKAH-LJQANCHMSA-N 1 1 314.473 4.078 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC001202528279 1043318049 /nfs/dbraw/zinc/31/80/49/1043318049.db2.gz BDEJEZYUROSPNY-FXAWDEMLSA-N 1 1 320.436 4.158 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268399510 1043318260 /nfs/dbraw/zinc/31/82/60/1043318260.db2.gz ULDWDFPUNZVQOC-IAGOWNOFSA-N 1 1 318.461 4.278 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268399509 1043318647 /nfs/dbraw/zinc/31/86/47/1043318647.db2.gz ULDWDFPUNZVQOC-DLBZAZTESA-N 1 1 318.461 4.278 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000795106262 1043339904 /nfs/dbraw/zinc/33/99/04/1043339904.db2.gz JKCDRDVUEZNIGJ-UYAOXDASSA-N 1 1 322.537 4.317 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC001202530717 1043346696 /nfs/dbraw/zinc/34/66/96/1043346696.db2.gz UMCXVJVPNZUFCF-YLJYHZDGSA-N 1 1 320.436 4.158 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)c(F)c1 ZINC000339108031 1043353888 /nfs/dbraw/zinc/35/38/88/1043353888.db2.gz UCSNCZACVXYJAQ-IBGZPJMESA-N 1 1 309.388 4.210 20 30 DIEDMO C=CC1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000521118576 1043361551 /nfs/dbraw/zinc/36/15/51/1043361551.db2.gz BUEYOEVBUHAADR-UHFFFAOYSA-N 1 1 317.230 4.400 20 30 DIEDMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)ccc1C#N ZINC000442807084 1043421510 /nfs/dbraw/zinc/42/15/10/1043421510.db2.gz DKYWNGHFIMMQMI-LJQANCHMSA-N 1 1 321.424 4.079 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1cccc(OC)c1 ZINC000442796682 1043425600 /nfs/dbraw/zinc/42/56/00/1043425600.db2.gz GKPKGQHCWDEYMN-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)c(F)c2)ccc1C#N ZINC000442817207 1043428532 /nfs/dbraw/zinc/42/85/32/1043428532.db2.gz XTGPPKKDWHATSX-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccc1C#N ZINC000442809758 1043429569 /nfs/dbraw/zinc/42/95/69/1043429569.db2.gz LJRIFOGUAHOVBC-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925566310 1043430847 /nfs/dbraw/zinc/43/08/47/1043430847.db2.gz ATYIZSYVDGBCAJ-KDOFPFPSSA-N 1 1 312.413 4.296 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1CC1CCC1 ZINC000925601439 1043435190 /nfs/dbraw/zinc/43/51/90/1043435190.db2.gz LMOTXJPTFZEBGY-LPHOPBHVSA-N 1 1 322.456 4.379 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C2CCC2)c1 ZINC000925601573 1043436420 /nfs/dbraw/zinc/43/64/20/1043436420.db2.gz LWSLEPRTOKOHCZ-BEFAXECRSA-N 1 1 308.429 4.304 20 30 DIEDMO C[C@@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602807 1043436452 /nfs/dbraw/zinc/43/64/52/1043436452.db2.gz XYMLOWHCNLSQLW-DYESRHJHSA-N 1 1 321.468 4.444 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889689 1043450969 /nfs/dbraw/zinc/45/09/69/1043450969.db2.gz FVFWWEKTVWSBHW-KKSFZXQISA-N 1 1 318.420 4.141 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891508 1043451433 /nfs/dbraw/zinc/45/14/33/1043451433.db2.gz NJKXIBVWMYWGLC-XJKSGUPXSA-N 1 1 312.363 4.387 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000558180047 1043452423 /nfs/dbraw/zinc/45/24/23/1043452423.db2.gz MHNAJKRTBITAOX-SFHVURJKSA-N 1 1 324.424 4.159 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000442900942 1043453492 /nfs/dbraw/zinc/45/34/92/1043453492.db2.gz SPWGVUQVRPDLLD-SJLPKXTDSA-N 1 1 306.409 4.020 20 30 DIEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000339153791 1043454890 /nfs/dbraw/zinc/45/48/90/1043454890.db2.gz VIRRMNMDPAYDAA-INIZCTEOSA-N 1 1 302.466 4.150 20 30 DIEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000872113737 1043463307 /nfs/dbraw/zinc/46/33/07/1043463307.db2.gz SADVSZKHCIZBHM-AWEZNQCLSA-N 1 1 317.845 4.225 20 30 DIEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 ZINC000872174118 1043483839 /nfs/dbraw/zinc/48/38/39/1043483839.db2.gz DQHOPWLPNUKCNU-FZMZJTMJSA-N 1 1 321.808 4.056 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000521822478 1043488043 /nfs/dbraw/zinc/48/80/43/1043488043.db2.gz RTHDRRVVURRHGO-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccc1F ZINC000521822478 1043488050 /nfs/dbraw/zinc/48/80/50/1043488050.db2.gz RTHDRRVVURRHGO-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCc2ccccc21 ZINC000521822005 1043488385 /nfs/dbraw/zinc/48/83/85/1043488385.db2.gz PCDNLMMQFJXELH-IBGZPJMESA-N 1 1 312.457 4.096 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000124087031 1043499617 /nfs/dbraw/zinc/49/96/17/1043499617.db2.gz UPQZOCKCADXFQO-UHFFFAOYSA-N 1 1 312.438 4.270 20 30 DIEDMO Cc1ccsc1C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000349578091 1043514246 /nfs/dbraw/zinc/51/42/46/1043514246.db2.gz OSLJNCYDGHGGMW-UHFFFAOYSA-N 1 1 314.454 4.371 20 30 DIEDMO C[C@H]1CCCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350122510 1043538995 /nfs/dbraw/zinc/53/89/95/1043538995.db2.gz JMKSBIFRHWKPHL-INIZCTEOSA-N 1 1 323.440 4.002 20 30 DIEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c1 ZINC001143589801 1043558109 /nfs/dbraw/zinc/55/81/09/1043558109.db2.gz FYSNGANBIFFJEE-FQEVSTJZSA-N 1 1 324.399 4.049 20 30 DIEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CCC=C(C)C ZINC001275069379 1043569853 /nfs/dbraw/zinc/56/98/53/1043569853.db2.gz ORAZDGWZHNPICS-GUDVDZBRSA-N 1 1 318.505 4.010 20 30 DIEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC=C(C)C ZINC001275067110 1043571273 /nfs/dbraw/zinc/57/12/73/1043571273.db2.gz OGAYUIQMEHYFSJ-QUCCMNQESA-N 1 1 318.505 4.012 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001275114103 1043575875 /nfs/dbraw/zinc/57/58/75/1043575875.db2.gz JRIUESDYBXIECC-IEBWSBKVSA-N 1 1 308.510 4.070 20 30 DIEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926478769 1043583242 /nfs/dbraw/zinc/58/32/42/1043583242.db2.gz CNVKXRUGECAHCH-SJORKVTESA-N 1 1 309.413 4.385 20 30 DIEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000353420374 1043607183 /nfs/dbraw/zinc/60/71/83/1043607183.db2.gz GBOASTZLKVKECE-UHFFFAOYSA-N 1 1 310.445 4.147 20 30 DIEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000353420374 1043607192 /nfs/dbraw/zinc/60/71/92/1043607192.db2.gz GBOASTZLKVKECE-UHFFFAOYSA-N 1 1 310.445 4.147 20 30 DIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000926617069 1043607875 /nfs/dbraw/zinc/60/78/75/1043607875.db2.gz WKNVVBBJKMKUHN-FDQGKXFDSA-N 1 1 311.816 4.106 20 30 DIEDMO CC(C)[N@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000353475560 1043608236 /nfs/dbraw/zinc/60/82/36/1043608236.db2.gz YPFFEIUMBKCHLY-UHFFFAOYSA-N 1 1 309.438 4.283 20 30 DIEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cn2ccccc2c1C#N ZINC000353475560 1043608242 /nfs/dbraw/zinc/60/82/42/1043608242.db2.gz YPFFEIUMBKCHLY-UHFFFAOYSA-N 1 1 309.438 4.283 20 30 DIEDMO Cc1cc([NH2+]CC(C)(C)CCC#N)ccc1N1CCSCC1 ZINC000125557855 1043634979 /nfs/dbraw/zinc/63/49/79/1043634979.db2.gz IYYPXWOBVQENNW-UHFFFAOYSA-N 1 1 317.502 4.290 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cscc1Cl)c1cccc(C#N)c1O ZINC000926865682 1043646404 /nfs/dbraw/zinc/64/64/04/1043646404.db2.gz PVPJNWDGJLOMRA-CQSZACIVSA-N 1 1 306.818 4.220 20 30 DIEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCCC/C=C\CC)C2)C1=O ZINC001275277810 1043648162 /nfs/dbraw/zinc/64/81/62/1043648162.db2.gz UCHBDPZEIFCJBS-PRPIBZDOSA-N 1 1 318.505 4.014 20 30 DIEDMO COc1ccc(Nc2cc[nH+]c(-c3ccccc3)c2)c(C#N)c1 ZINC001212779719 1043708656 /nfs/dbraw/zinc/70/86/56/1043708656.db2.gz AFQZICPCBUIYQZ-UHFFFAOYSA-N 1 1 301.349 4.372 20 30 DIEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c(C)s1 ZINC000876914675 1043723077 /nfs/dbraw/zinc/72/30/77/1043723077.db2.gz VGAFEARDPHFNHY-JTQLQIEISA-N 1 1 305.834 4.136 20 30 DIEDMO C[C@H](CC[N@@H+](CCC#N)CC(C)(C)C)OCc1ccccc1 ZINC000354917520 1043729285 /nfs/dbraw/zinc/72/92/85/1043729285.db2.gz MMNWYQZADBWUGD-QGZVFWFLSA-N 1 1 302.462 4.244 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC000355213365 1043752783 /nfs/dbraw/zinc/75/27/83/1043752783.db2.gz FPPJOFWBMWFQCN-QFIPXVFZSA-N 1 1 313.466 4.002 20 30 DIEDMO CCSc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877547234 1043773373 /nfs/dbraw/zinc/77/33/73/1043773373.db2.gz QREBWKDLCBIFEM-UHFFFAOYSA-N 1 1 317.845 4.008 20 30 DIEDMO CC1(C)C[C@@]1([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877643580 1043784352 /nfs/dbraw/zinc/78/43/52/1043784352.db2.gz GVFBAAMAQVDHQN-GOSISDBHSA-N 1 1 311.816 4.022 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877665562 1043789225 /nfs/dbraw/zinc/78/92/25/1043789225.db2.gz BGUWCFWOYQFCBG-QGZVFWFLSA-N 1 1 317.795 4.161 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)[nH]n1 ZINC000877783971 1043797637 /nfs/dbraw/zinc/79/76/37/1043797637.db2.gz LZNXXVBKAQOENQ-HNNXBMFYSA-N 1 1 302.466 4.042 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)n[nH]1 ZINC000877783971 1043797642 /nfs/dbraw/zinc/79/76/42/1043797642.db2.gz LZNXXVBKAQOENQ-HNNXBMFYSA-N 1 1 302.466 4.042 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)n[nH]1 ZINC000877783971 1043797649 /nfs/dbraw/zinc/79/76/49/1043797649.db2.gz LZNXXVBKAQOENQ-HNNXBMFYSA-N 1 1 302.466 4.042 20 30 DIEDMO CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000929334669 1043810841 /nfs/dbraw/zinc/81/08/41/1043810841.db2.gz WRIJLOVOTVWCGZ-QIJZBDPFSA-N 1 1 304.384 4.232 20 30 DIEDMO C=CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919997 1043823666 /nfs/dbraw/zinc/82/36/66/1043823666.db2.gz AKENBNRVLGFFRK-LLVKDONJSA-N 1 1 315.244 4.218 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)s1 ZINC000929602360 1043827611 /nfs/dbraw/zinc/82/76/11/1043827611.db2.gz ZHAUTABVCOWIMW-NSHDSACASA-N 1 1 319.861 4.478 20 30 DIEDMO C=CC[N@H+](Cc1nnc(-c2cccc3ccccc32)o1)C(C)C ZINC000877977529 1043832304 /nfs/dbraw/zinc/83/23/04/1043832304.db2.gz ZLVHPTUTTCBJOJ-UHFFFAOYSA-N 1 1 307.397 4.286 20 30 DIEDMO C=CC[N@@H+](Cc1nnc(-c2cccc3ccccc32)o1)C(C)C ZINC000877977529 1043832322 /nfs/dbraw/zinc/83/23/22/1043832322.db2.gz ZLVHPTUTTCBJOJ-UHFFFAOYSA-N 1 1 307.397 4.286 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)CCC1 ZINC000929832986 1043844337 /nfs/dbraw/zinc/84/43/37/1043844337.db2.gz WSWPHCNSAIPMCA-IRXDYDNUSA-N 1 1 316.445 4.032 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)CCC1 ZINC000929832984 1043844570 /nfs/dbraw/zinc/84/45/70/1043844570.db2.gz WSWPHCNSAIPMCA-IAGOWNOFSA-N 1 1 316.445 4.032 20 30 DIEDMO C=CCCC1(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)CC1 ZINC000356512507 1043845540 /nfs/dbraw/zinc/84/55/40/1043845540.db2.gz ICCOCEURMCCNCN-UHFFFAOYSA-N 1 1 312.457 4.343 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000929872527 1043848711 /nfs/dbraw/zinc/84/87/11/1043848711.db2.gz HISIKICUNRYJQM-WIXQSORDSA-N 1 1 319.452 4.223 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000878134378 1043852275 /nfs/dbraw/zinc/85/22/75/1043852275.db2.gz PCBYTBUOWDGSMB-XRULBBBTSA-N 1 1 324.468 4.080 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC000930096442 1043876133 /nfs/dbraw/zinc/87/61/33/1043876133.db2.gz QFSSEKDKFBIAQT-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930096442 1043876149 /nfs/dbraw/zinc/87/61/49/1043876149.db2.gz QFSSEKDKFBIAQT-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)sc1C(C)(C)C ZINC000930203453 1043893030 /nfs/dbraw/zinc/89/30/30/1043893030.db2.gz VFLOAAPYUGNDCT-GFCCVEGCSA-N 1 1 313.470 4.472 20 30 DIEDMO CCC[C@H]1CCCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878428658 1043893458 /nfs/dbraw/zinc/89/34/58/1043893458.db2.gz VZXRRUGHULIQFQ-PMACEKPBSA-N 1 1 312.457 4.082 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nc(C(C)C)ns1)c1ccccc1 ZINC000930230336 1043901731 /nfs/dbraw/zinc/90/17/31/1043901731.db2.gz WMLGQBRQZLJWEY-HNNXBMFYSA-N 1 1 301.459 4.459 20 30 DIEDMO C#CCCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000878615491 1043905021 /nfs/dbraw/zinc/90/50/21/1043905021.db2.gz DTYCZMZNMCAYSN-INIZCTEOSA-N 1 1 301.434 4.058 20 30 DIEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000878660892 1043911240 /nfs/dbraw/zinc/91/12/40/1043911240.db2.gz ONYZPKUICYOFPZ-VLIAUNLRSA-N 1 1 319.408 4.342 20 30 DIEDMO CCC[N@@H+](Cc1cc(Br)ccc1C#N)[C@@H](C)CC ZINC001141894727 1043923198 /nfs/dbraw/zinc/92/31/98/1043923198.db2.gz RLMVHXXJRXQTQI-LBPRGKRZSA-N 1 1 309.251 4.331 20 30 DIEDMO CC(C)([NH2+]Cc1c(Cl)cncc1Cl)c1cccc(C#N)c1 ZINC000878888113 1043927251 /nfs/dbraw/zinc/92/72/51/1043927251.db2.gz LXUFKAGFOJTNPA-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CC3CCC(C#N)CC3)nc2c1 ZINC000930487840 1043932239 /nfs/dbraw/zinc/93/22/39/1043932239.db2.gz XAYIHISFHORIJP-LADRWXRNSA-N 1 1 322.456 4.338 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CC3CCC(C#N)CC3)[nH]c2c1 ZINC000930487840 1043932244 /nfs/dbraw/zinc/93/22/44/1043932244.db2.gz XAYIHISFHORIJP-LADRWXRNSA-N 1 1 322.456 4.338 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CC3CCC(C#N)CC3)[nH]c2c1 ZINC000930487840 1043932250 /nfs/dbraw/zinc/93/22/50/1043932250.db2.gz XAYIHISFHORIJP-LADRWXRNSA-N 1 1 322.456 4.338 20 30 DIEDMO Cc1cnc([C@@H](C)[NH+]2CCC(NC(=O)C3CCCCC3)CC2)o1 ZINC000329158080 1043947273 /nfs/dbraw/zinc/94/72/73/1043947273.db2.gz WRYIOKVOGLTNKX-CQSZACIVSA-N 1 1 319.449 4.045 20 30 DIEDMO Cc1cnc([C@H](C)[NH+]2CCC(NC(=O)C3CCCCC3)CC2)o1 ZINC000329158079 1043947767 /nfs/dbraw/zinc/94/77/67/1043947767.db2.gz WRYIOKVOGLTNKX-AWEZNQCLSA-N 1 1 319.449 4.045 20 30 DIEDMO CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1C#N ZINC001141903115 1043956351 /nfs/dbraw/zinc/95/63/51/1043956351.db2.gz QSRKYFKRMQQLNA-HNNXBMFYSA-N 1 1 307.235 4.085 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1C#N ZINC001141903115 1043956366 /nfs/dbraw/zinc/95/63/66/1043956366.db2.gz QSRKYFKRMQQLNA-HNNXBMFYSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CC1(CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCCCC1 ZINC000930710003 1043957958 /nfs/dbraw/zinc/95/79/58/1043957958.db2.gz LXQHUIPUBHWUAJ-UHFFFAOYSA-N 1 1 320.521 4.092 20 30 DIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000879563846 1043974708 /nfs/dbraw/zinc/97/47/08/1043974708.db2.gz DZBNESNQURERCQ-QGZVFWFLSA-N 1 1 315.848 4.038 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000896661737 1043975342 /nfs/dbraw/zinc/97/53/42/1043975342.db2.gz VUYOUFDTCVFNRF-UHFFFAOYSA-N 1 1 319.452 4.295 20 30 DIEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cc(Br)ccc2C#N)CC1 ZINC001141907598 1043987920 /nfs/dbraw/zinc/98/79/20/1043987920.db2.gz HDXWXAGDBZJCEC-YGUOUDRMSA-N 1 1 321.262 4.331 20 30 DIEDMO C=C1CCC(c2nc(CCCCn3c[nH+]c(C)c3C)no2)CC1 ZINC000896762255 1044003408 /nfs/dbraw/zinc/00/34/08/1044003408.db2.gz GQMAESNCFIRSPA-UHFFFAOYSA-N 1 1 314.433 4.120 20 30 DIEDMO Cc1csc([C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)n1 ZINC000880011154 1044007195 /nfs/dbraw/zinc/00/71/95/1044007195.db2.gz ICGQCVDFCGGJNZ-OAHLLOKOSA-N 1 1 303.475 4.105 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)c(Br)cc1F ZINC001141915452 1044012625 /nfs/dbraw/zinc/01/26/25/1044012625.db2.gz BJKRTGSZYUCLBX-UHFFFAOYSA-N 1 1 304.178 4.125 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(Br)cc1F ZINC001141915452 1044012637 /nfs/dbraw/zinc/01/26/37/1044012637.db2.gz BJKRTGSZYUCLBX-UHFFFAOYSA-N 1 1 304.178 4.125 20 30 DIEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000475024140 1044035181 /nfs/dbraw/zinc/03/51/81/1044035181.db2.gz QBUSGHHTRAPQPN-RTBURBONSA-N 1 1 314.473 4.353 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1 ZINC000880387807 1044037896 /nfs/dbraw/zinc/03/78/96/1044037896.db2.gz DUOKYSQQYWWXDA-OAHLLOKOSA-N 1 1 303.837 4.261 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2cccs2)C(C)C)cc1C#N ZINC000087833262 1044048718 /nfs/dbraw/zinc/04/87/18/1044048718.db2.gz VXWJXCZOKKAJCT-UHFFFAOYSA-N 1 1 300.427 4.039 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC(F)F)cc1 ZINC000428318280 1044074271 /nfs/dbraw/zinc/07/42/71/1044074271.db2.gz AOKUTWYYTFQVAP-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000562202106 1044081686 /nfs/dbraw/zinc/08/16/86/1044081686.db2.gz KDBQIJFXTMGFKW-NWDGAFQWSA-N 1 1 319.861 4.292 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000562202108 1044082510 /nfs/dbraw/zinc/08/25/10/1044082510.db2.gz KDBQIJFXTMGFKW-RYUDHWBXSA-N 1 1 319.861 4.292 20 30 DIEDMO FC(F)(F)CCCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931917880 1044085602 /nfs/dbraw/zinc/08/56/02/1044085602.db2.gz MHXXHPNBYIAYIN-VIFPVBQESA-N 1 1 307.253 4.085 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199485 1044109629 /nfs/dbraw/zinc/10/96/29/1044109629.db2.gz ROUUPQOOFAKWAM-GOEBONIOSA-N 1 1 311.454 4.030 20 30 DIEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295142 1044153250 /nfs/dbraw/zinc/15/32/50/1044153250.db2.gz OIOHBLHMDXRJLI-YLJYHZDGSA-N 1 1 312.457 4.381 20 30 DIEDMO Cc1csc(C[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000933125062 1044187073 /nfs/dbraw/zinc/18/70/73/1044187073.db2.gz FBASDWXLFOPFBF-HNNXBMFYSA-N 1 1 305.491 4.036 20 30 DIEDMO N#Cc1ccc(C2CC[NH+](Cc3csc(C4CC4)n3)CC2)cc1 ZINC000933609238 1044202401 /nfs/dbraw/zinc/20/24/01/1044202401.db2.gz GPUYXTTVWKMRFO-UHFFFAOYSA-N 1 1 323.465 4.272 20 30 DIEDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000130801213 1044215568 /nfs/dbraw/zinc/21/55/68/1044215568.db2.gz HNBNDBPPUZELIE-DLBZAZTESA-N 1 1 308.425 4.479 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000347243959 1044215471 /nfs/dbraw/zinc/21/54/71/1044215471.db2.gz CXUJLWDMVLHNHW-YOEHRIQHSA-N 1 1 310.397 4.133 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccs1)C(C)C ZINC000347264491 1044221295 /nfs/dbraw/zinc/22/12/95/1044221295.db2.gz JVMYGQQWPGYUQK-UHFFFAOYSA-N 1 1 300.427 4.039 20 30 DIEDMO CCC[N@@H+](CCCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000934191616 1044230894 /nfs/dbraw/zinc/23/08/94/1044230894.db2.gz SQFCPQUJDXCZFI-UHFFFAOYSA-N 1 1 313.489 4.057 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1cc(COC)on1)c1ccccc1 ZINC000883325127 1044273361 /nfs/dbraw/zinc/27/33/61/1044273361.db2.gz PDPYYTBVOJXOLU-SFHVURJKSA-N 1 1 300.402 4.008 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000883382216 1044294139 /nfs/dbraw/zinc/29/41/39/1044294139.db2.gz BQAUVOZHBRXJAL-JSNMRZPZSA-N 1 1 324.399 4.093 20 30 DIEDMO N#CC1(c2ccc(C[NH2+][C@H]3c4ccccc4CC[C@H]3F)cc2)CC1 ZINC000883381955 1044294737 /nfs/dbraw/zinc/29/47/37/1044294737.db2.gz WZEGRQONLJJBGQ-UXHICEINSA-N 1 1 320.411 4.357 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000186187134 1044301434 /nfs/dbraw/zinc/30/14/34/1044301434.db2.gz WMDLBPGCYXNGKX-UHFFFAOYSA-N 1 1 303.409 4.149 20 30 DIEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000523008068 1044303191 /nfs/dbraw/zinc/30/31/91/1044303191.db2.gz FFONGOYGDPTEHR-UHFFFAOYSA-N 1 1 322.452 4.118 20 30 DIEDMO N#Cc1ccccc1OCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000523008138 1044306537 /nfs/dbraw/zinc/30/65/37/1044306537.db2.gz HYXHAAKXLUMTBF-QGZVFWFLSA-N 1 1 310.397 4.147 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186239754 1044309351 /nfs/dbraw/zinc/30/93/51/1044309351.db2.gz BOYUDXPRCIJPSC-CQSZACIVSA-N 1 1 313.470 4.387 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC000475286668 1044347858 /nfs/dbraw/zinc/34/78/58/1044347858.db2.gz RUMGAVUZDHNGHD-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000564168611 1044351916 /nfs/dbraw/zinc/35/19/16/1044351916.db2.gz BVUMJMZYSJHWQO-INIZCTEOSA-N 1 1 317.477 4.047 20 30 DIEDMO Cc1cccc(C[N@H+](Cc2cc(C#N)n(C)c2)Cc2ccco2)c1 ZINC000361501665 1044409387 /nfs/dbraw/zinc/40/93/87/1044409387.db2.gz SNFJXWIHNWOUER-UHFFFAOYSA-N 1 1 319.408 4.001 20 30 DIEDMO Cc1cccc(C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ccco2)c1 ZINC000361501665 1044409396 /nfs/dbraw/zinc/40/93/96/1044409396.db2.gz SNFJXWIHNWOUER-UHFFFAOYSA-N 1 1 319.408 4.001 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552272 1044417168 /nfs/dbraw/zinc/41/71/68/1044417168.db2.gz KJPFAMALMIQZIQ-KSSFIOAISA-N 1 1 311.429 4.025 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(-n2ccnc2)cc1C ZINC000361861837 1044453345 /nfs/dbraw/zinc/45/33/45/1044453345.db2.gz IFGCBJOWYRIZJR-UHFFFAOYSA-N 1 1 321.424 4.004 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000565747568 1044454669 /nfs/dbraw/zinc/45/46/69/1044454669.db2.gz MZQWRWIQPUEYCY-SFHVURJKSA-N 1 1 306.453 4.322 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860212 1044460835 /nfs/dbraw/zinc/46/08/35/1044460835.db2.gz LYLCWVGZXHUIIO-WOJBJXKFSA-N 1 1 320.436 4.281 20 30 DIEDMO C=CCOc1cccc(C[NH2+]C(C)(C)c2nc(C)cs2)c1 ZINC000116381421 1044470583 /nfs/dbraw/zinc/47/05/83/1044470583.db2.gz MWJTZGYGCCOUOT-UHFFFAOYSA-N 1 1 302.443 4.041 20 30 DIEDMO C=CCCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000117871790 1044479735 /nfs/dbraw/zinc/47/97/35/1044479735.db2.gz NPYMETZBNFCJKY-UHFFFAOYSA-N 1 1 315.244 4.220 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000566474652 1044491179 /nfs/dbraw/zinc/49/11/79/1044491179.db2.gz HAJWRZNVSNELGO-RDJZCZTQSA-N 1 1 304.397 4.030 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1OC(F)F ZINC000119520557 1044496784 /nfs/dbraw/zinc/49/67/84/1044496784.db2.gz DAFPULKQCDVPNB-MRXNPFEDSA-N 1 1 316.351 4.401 20 30 DIEDMO N#CCCC1CC[NH+](Cc2cscc2Br)CC1 ZINC000566797091 1044518439 /nfs/dbraw/zinc/51/84/39/1044518439.db2.gz UZMFQTJVCSQEML-UHFFFAOYSA-N 1 1 313.264 4.026 20 30 DIEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000566945103 1044530845 /nfs/dbraw/zinc/53/08/45/1044530845.db2.gz RHVGIRBFSOJJRQ-UHFFFAOYSA-N 1 1 322.452 4.472 20 30 DIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567120987 1044543990 /nfs/dbraw/zinc/54/39/90/1044543990.db2.gz VNVXJWJVTRJBSH-WOJBJXKFSA-N 1 1 305.425 4.111 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)Cc2ccccc2)c1O ZINC000216156565 1044549077 /nfs/dbraw/zinc/54/90/77/1044549077.db2.gz IQIFOVPHBMJAKV-UHFFFAOYSA-N 1 1 311.425 4.151 20 30 DIEDMO C[C@H](C#N)C[N@@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000567205586 1044551211 /nfs/dbraw/zinc/55/12/11/1044551211.db2.gz QMTBZJDTUQYORB-GOSISDBHSA-N 1 1 306.453 4.179 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1c(O)ccc2ccccc21 ZINC000778587653 1044563307 /nfs/dbraw/zinc/56/33/07/1044563307.db2.gz AWNFBYDIGWGYRL-UHFFFAOYSA-N 1 1 307.393 4.369 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)CCCOc1ccc(F)cc1 ZINC000444587464 1044571044 /nfs/dbraw/zinc/57/10/44/1044571044.db2.gz AUJQMSRNOVILAI-UHFFFAOYSA-N 1 1 306.425 4.246 20 30 DIEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362963957 1044572146 /nfs/dbraw/zinc/57/21/46/1044572146.db2.gz QXDGPTLWSNABJR-QGZVFWFLSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)[C@H](CO)[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444650774 1044582491 /nfs/dbraw/zinc/58/24/91/1044582491.db2.gz NMOJMQDTRKBYSR-IBGZPJMESA-N 1 1 316.489 4.226 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000444647707 1044583252 /nfs/dbraw/zinc/58/32/52/1044583252.db2.gz LXDXGCJCZAYNDP-LJQANCHMSA-N 1 1 313.489 4.307 20 30 DIEDMO COc1cncc(/C=C\CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000567790200 1044585254 /nfs/dbraw/zinc/58/52/54/1044585254.db2.gz RTKSTOOIAIYZCW-HQQUCIOCSA-N 1 1 321.424 4.058 20 30 DIEDMO C[C@@]1(F)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444675010 1044598017 /nfs/dbraw/zinc/59/80/17/1044598017.db2.gz QDXCKYHKELDMRL-HXUWFJFHSA-N 1 1 322.427 4.320 20 30 DIEDMO COc1cc(C)cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1OC ZINC000886041071 1044601876 /nfs/dbraw/zinc/60/18/76/1044601876.db2.gz JZSHVOIDSYBUPR-SFHVURJKSA-N 1 1 324.424 4.147 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000444718974 1044612686 /nfs/dbraw/zinc/61/26/86/1044612686.db2.gz XMVCHEBUELXTKW-IBGZPJMESA-N 1 1 314.473 4.342 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)cc1 ZINC000444718974 1044612691 /nfs/dbraw/zinc/61/26/91/1044612691.db2.gz XMVCHEBUELXTKW-IBGZPJMESA-N 1 1 314.473 4.342 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444781217 1044619743 /nfs/dbraw/zinc/61/97/43/1044619743.db2.gz GKLYQEMRZFZACW-SFHVURJKSA-N 1 1 300.446 4.212 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nc(C3CCCC3)no2)CCCC1(C)C ZINC000444781255 1044620798 /nfs/dbraw/zinc/62/07/98/1044620798.db2.gz HCYKRKIFKIYNKK-OAHLLOKOSA-N 1 1 303.450 4.294 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2csc([C@@H](C)OC)n2)CCCC1(C)C ZINC000444786992 1044630704 /nfs/dbraw/zinc/63/07/04/1044630704.db2.gz PPBCWQVAOPRVHM-UKRRQHHQSA-N 1 1 308.491 4.417 20 30 DIEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360570 1044634164 /nfs/dbraw/zinc/63/41/64/1044634164.db2.gz YBXOTFNJVRSIQI-CQSZACIVSA-N 1 1 314.816 4.149 20 30 DIEDMO Cc1cccc(C([NH2+]C[C@H](C#N)CCC#N)c2cccc(C)c2)c1 ZINC000568750990 1044645823 /nfs/dbraw/zinc/64/58/23/1044645823.db2.gz SUCGFABYPONPOP-SFHVURJKSA-N 1 1 317.436 4.426 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000367173655 1044658522 /nfs/dbraw/zinc/65/85/22/1044658522.db2.gz MMXPGWJHEBOLOF-ZDUSSCGKSA-N 1 1 302.384 4.371 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000886542488 1044659329 /nfs/dbraw/zinc/65/93/29/1044659329.db2.gz AWMQWSOJRINYME-MJGOQNOKSA-N 1 1 312.457 4.170 20 30 DIEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275888720 1044660859 /nfs/dbraw/zinc/66/08/59/1044660859.db2.gz KKAUYGBEQWITKO-YLJYHZDGSA-N 1 1 320.521 4.092 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(F)c(F)c1 ZINC000886593902 1044666806 /nfs/dbraw/zinc/66/68/06/1044666806.db2.gz BKWNTJJGPQOXTO-IAGOWNOFSA-N 1 1 300.352 4.254 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000155230242 1044684797 /nfs/dbraw/zinc/68/47/97/1044684797.db2.gz QUFKKAWXVBOQKG-HNNXBMFYSA-N 1 1 324.399 4.281 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1C(F)(F)F ZINC000043643651 1044699249 /nfs/dbraw/zinc/69/92/49/1044699249.db2.gz CIIBJQSMKABKFP-UHFFFAOYSA-N 1 1 304.315 4.209 20 30 DIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799360 1044702778 /nfs/dbraw/zinc/70/27/78/1044702778.db2.gz MFYJDGUBPMXCFY-YRXWBPOGSA-N 1 1 320.521 4.358 20 30 DIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799359 1044703696 /nfs/dbraw/zinc/70/36/96/1044703696.db2.gz MFYJDGUBPMXCFY-XWSJACJDSA-N 1 1 320.521 4.358 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(n1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000569806778 1044713827 /nfs/dbraw/zinc/71/38/27/1044713827.db2.gz ABWTUHSVECEXOC-OAHLLOKOSA-N 1 1 305.425 4.025 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173816 1044737569 /nfs/dbraw/zinc/73/75/69/1044737569.db2.gz PIDCREFGVMULIR-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173816 1044737584 /nfs/dbraw/zinc/73/75/84/1044737584.db2.gz PIDCREFGVMULIR-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO Cc1nsc(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000570813150 1044784259 /nfs/dbraw/zinc/78/42/59/1044784259.db2.gz MWAPELYQHWGGTK-SJLPKXTDSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nsc(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000570813150 1044784266 /nfs/dbraw/zinc/78/42/66/1044784266.db2.gz MWAPELYQHWGGTK-SJLPKXTDSA-N 1 1 311.454 4.032 20 30 DIEDMO C=CCCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000263710766 1044819552 /nfs/dbraw/zinc/81/95/52/1044819552.db2.gz WCHWQESASLSJFP-UHFFFAOYSA-N 1 1 300.446 4.356 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3sccc3[C@@H]2C)cc1 ZINC000371392983 1044872214 /nfs/dbraw/zinc/87/22/14/1044872214.db2.gz WSJQUVMKBLJXDJ-KGLIPLIRSA-N 1 1 312.438 4.158 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000572796945 1044877843 /nfs/dbraw/zinc/87/78/43/1044877843.db2.gz CFXIJEQESVGFNZ-GOSISDBHSA-N 1 1 312.388 4.289 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000264558889 1044893052 /nfs/dbraw/zinc/89/30/52/1044893052.db2.gz NQXAMGVDMMYZBD-LJQANCHMSA-N 1 1 310.372 4.065 20 30 DIEDMO C=CCC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000524812008 1044927114 /nfs/dbraw/zinc/92/71/14/1044927114.db2.gz WWEMUJQUZMWYGG-UHFFFAOYSA-N 1 1 315.436 4.437 20 30 DIEDMO N#CC1(CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CCCCC1 ZINC000411138605 1044978301 /nfs/dbraw/zinc/97/83/01/1044978301.db2.gz UNBIKPPPJQGKGU-UHFFFAOYSA-N 1 1 310.441 4.345 20 30 DIEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135316302 1044978827 /nfs/dbraw/zinc/97/88/27/1044978827.db2.gz ZFMORTSNPOUIDL-QGZVFWFLSA-N 1 1 324.428 4.009 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cccc(C#N)c1 ZINC000411164130 1044981730 /nfs/dbraw/zinc/98/17/30/1044981730.db2.gz GTEURQNNZASLOK-MRXNPFEDSA-N 1 1 303.409 4.403 20 30 DIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411330162 1044998057 /nfs/dbraw/zinc/99/80/57/1044998057.db2.gz SIEXWFQDEHDZEP-MRXNPFEDSA-N 1 1 300.446 4.119 20 30 DIEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692595 1045022557 /nfs/dbraw/zinc/02/25/57/1045022557.db2.gz KWGOPRBPKBUSAC-WFASDCNBSA-N 1 1 314.326 4.268 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692595 1045022570 /nfs/dbraw/zinc/02/25/70/1045022570.db2.gz KWGOPRBPKBUSAC-WFASDCNBSA-N 1 1 314.326 4.268 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccc(F)cc1 ZINC000446764673 1045033834 /nfs/dbraw/zinc/03/38/34/1045033834.db2.gz KCJAAJTWWNGWIP-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cc1Cl ZINC000576677585 1045073153 /nfs/dbraw/zinc/07/31/53/1045073153.db2.gz XOAHCYHHWXXVDX-LBPRGKRZSA-N 1 1 315.791 4.382 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1Cl ZINC000576677585 1045073165 /nfs/dbraw/zinc/07/31/65/1045073165.db2.gz XOAHCYHHWXXVDX-LBPRGKRZSA-N 1 1 315.791 4.382 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576904585 1045087536 /nfs/dbraw/zinc/08/75/36/1045087536.db2.gz XAJYWKISFCSQMS-OKILXGFUSA-N 1 1 314.326 4.250 20 30 DIEDMO CCCCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000441190613 1045095389 /nfs/dbraw/zinc/09/53/89/1045095389.db2.gz ABDDMQBNWKAQKE-UHFFFAOYSA-N 1 1 312.417 4.009 20 30 DIEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1 ZINC000600779217 1045136907 /nfs/dbraw/zinc/13/69/07/1045136907.db2.gz QFTAOBKZKMCOMD-CQSZACIVSA-N 1 1 316.408 4.086 20 30 DIEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnc3[nH]cc(C#N)c3c2)c1 ZINC000600779718 1045137078 /nfs/dbraw/zinc/13/70/78/1045137078.db2.gz YWNMCERWGQDFBC-AWEZNQCLSA-N 1 1 316.408 4.086 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258044265 1045156367 /nfs/dbraw/zinc/15/63/67/1045156367.db2.gz KUNSMSAMGGNMNE-ILXRZTDVSA-N 1 1 309.416 4.371 20 30 DIEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)ccc1C ZINC000447726241 1045168186 /nfs/dbraw/zinc/16/81/86/1045168186.db2.gz DZSIQEKLXAASTD-UHFFFAOYSA-N 1 1 318.420 4.165 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000577857544 1045179231 /nfs/dbraw/zinc/17/92/31/1045179231.db2.gz UJQLCKVNUAYZRW-CFLQYTFWSA-N 1 1 317.392 4.199 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2CCC2CCCCC2)n1 ZINC000578056920 1045201802 /nfs/dbraw/zinc/20/18/02/1045201802.db2.gz CEBDLYAJSLUWFW-INIZCTEOSA-N 1 1 303.475 4.340 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2CCC2CCCCC2)n1 ZINC000578056920 1045201815 /nfs/dbraw/zinc/20/18/15/1045201815.db2.gz CEBDLYAJSLUWFW-INIZCTEOSA-N 1 1 303.475 4.340 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000578056921 1045201836 /nfs/dbraw/zinc/20/18/36/1045201836.db2.gz CEBDLYAJSLUWFW-MRXNPFEDSA-N 1 1 303.475 4.340 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2CCC2CCCCC2)n1 ZINC000578056921 1045201847 /nfs/dbraw/zinc/20/18/47/1045201847.db2.gz CEBDLYAJSLUWFW-MRXNPFEDSA-N 1 1 303.475 4.340 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(C#N)c1O ZINC000924813797 1045202158 /nfs/dbraw/zinc/20/21/58/1045202158.db2.gz NLZMUICCVDVMTA-CYBMUJFWSA-N 1 1 306.818 4.220 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000578170141 1045217160 /nfs/dbraw/zinc/21/71/60/1045217160.db2.gz RNRGUVGDQSSQCV-JNCYCUAHSA-N 1 1 302.421 4.430 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000448252465 1045223049 /nfs/dbraw/zinc/22/30/49/1045223049.db2.gz PDRWLLLOEJXVHE-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000448252465 1045223058 /nfs/dbraw/zinc/22/30/58/1045223058.db2.gz PDRWLLLOEJXVHE-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000448257752 1045223816 /nfs/dbraw/zinc/22/38/16/1045223816.db2.gz WQSYJADBWKYJFA-CYBMUJFWSA-N 1 1 303.327 4.148 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000448257752 1045223827 /nfs/dbraw/zinc/22/38/27/1045223827.db2.gz WQSYJADBWKYJFA-CYBMUJFWSA-N 1 1 303.327 4.148 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000578316349 1045230387 /nfs/dbraw/zinc/23/03/87/1045230387.db2.gz XNNNUZRZPMUAKD-XLIONFOSSA-N 1 1 321.399 4.143 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1Cl ZINC000448369939 1045239458 /nfs/dbraw/zinc/23/94/58/1045239458.db2.gz DBQBPPNUOWJEQB-HOCLYGCPSA-N 1 1 323.864 4.030 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449011917 1045333686 /nfs/dbraw/zinc/33/36/86/1045333686.db2.gz WKHBQZJUIMPPRE-UHFFFAOYSA-N 1 1 320.440 4.034 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449011917 1045333690 /nfs/dbraw/zinc/33/36/90/1045333690.db2.gz WKHBQZJUIMPPRE-UHFFFAOYSA-N 1 1 320.440 4.034 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528737816 1045406582 /nfs/dbraw/zinc/40/65/82/1045406582.db2.gz XNKITKSJMCHURZ-FQEVSTJZSA-N 1 1 312.457 4.176 20 30 DIEDMO Cc1cc(Cl)ccc1C1=CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000528740501 1045406647 /nfs/dbraw/zinc/40/66/47/1045406647.db2.gz AHVGJOHKLRXUHB-PBHICJAKSA-N 1 1 300.833 4.430 20 30 DIEDMO N#CC1(C[NH2+]C2(c3ccc(Br)cc3)CCC2)CCC1 ZINC000450522372 1045516757 /nfs/dbraw/zinc/51/67/57/1045516757.db2.gz XFYKIVHCTHCEOC-UHFFFAOYSA-N 1 1 319.246 4.112 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000450643081 1045532610 /nfs/dbraw/zinc/53/26/10/1045532610.db2.gz DGGDNZLHKZSGOV-HNNXBMFYSA-N 1 1 302.368 4.083 20 30 DIEDMO N#Cc1cccc([C@@H]2C[N@H+](CC/C=C\c3ccccc3)CCO2)c1 ZINC000450653226 1045536726 /nfs/dbraw/zinc/53/67/26/1045536726.db2.gz VNBGAGOTZSDNEA-UNBRIUBXSA-N 1 1 318.420 4.035 20 30 DIEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC/C=C\c3ccccc3)CCO2)c1 ZINC000450653226 1045536738 /nfs/dbraw/zinc/53/67/38/1045536738.db2.gz VNBGAGOTZSDNEA-UNBRIUBXSA-N 1 1 318.420 4.035 20 30 DIEDMO CCC(CC)[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC#CCOC ZINC001460047433 1045552684 /nfs/dbraw/zinc/55/26/84/1045552684.db2.gz ROQBSCGIBQRKNP-SFHVURJKSA-N 1 1 307.865 4.399 20 30 DIEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(Br)cc2)C1 ZINC001460288997 1045590374 /nfs/dbraw/zinc/59/03/74/1045590374.db2.gz HLCZXNZNZGZZNZ-KGLIPLIRSA-N 1 1 306.247 4.245 20 30 DIEDMO C=C(C)C[N@@H+](CC/C=C/c1ccccc1)Cc1ccc(CO)o1 ZINC000450983587 1045605483 /nfs/dbraw/zinc/60/54/83/1045605483.db2.gz RKXGUOFGUBHBLJ-UXBLZVDNSA-N 1 1 311.425 4.254 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2c(F)cccc2F)cc1 ZINC000751515114 1045608489 /nfs/dbraw/zinc/60/84/89/1045608489.db2.gz ZRNJWVXQGYUKCH-MDZDMXLPSA-N 1 1 324.330 4.355 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 ZINC000751512684 1045608652 /nfs/dbraw/zinc/60/86/52/1045608652.db2.gz FEXMWHOJLDBMMI-OQFOIZHKSA-N 1 1 324.330 4.355 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(Cl)nc2)cc1 ZINC000751512117 1045608722 /nfs/dbraw/zinc/60/87/22/1045608722.db2.gz BFJFIPBJFMYYDW-WAPJZHGLSA-N 1 1 323.783 4.125 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2c(F)cccc2F)cc1 ZINC000751515110 1045609342 /nfs/dbraw/zinc/60/93/42/1045609342.db2.gz ZRNJWVXQGYUKCH-KTKRTIGZSA-N 1 1 324.330 4.355 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(F)c2F)cc1 ZINC000751518759 1045610660 /nfs/dbraw/zinc/61/06/60/1045610660.db2.gz YZEGORRDAFBNKN-YFHOEESVSA-N 1 1 324.330 4.355 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000451143193 1045629453 /nfs/dbraw/zinc/62/94/53/1045629453.db2.gz HMMWKYJMFNZCNO-MISXGVKJSA-N 1 1 314.326 4.249 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159388 1045634992 /nfs/dbraw/zinc/63/49/92/1045634992.db2.gz QDIXPPHVEBKRHX-IIBYNOLFSA-N 1 1 302.421 4.404 20 30 DIEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159386 1045636127 /nfs/dbraw/zinc/63/61/27/1045636127.db2.gz QDIXPPHVEBKRHX-HRAATJIYSA-N 1 1 302.421 4.404 20 30 DIEDMO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(C(F)(F)F)cc1 ZINC000752736356 1045700783 /nfs/dbraw/zinc/70/07/83/1045700783.db2.gz VQKBWJBUIQDLJP-UHFFFAOYSA-N 1 1 307.319 4.350 20 30 DIEDMO CC(C)c1nc(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)co1 ZINC000752888609 1045712635 /nfs/dbraw/zinc/71/26/35/1045712635.db2.gz MWRGRQKXZIYCGP-HJWRWDBZSA-N 1 1 323.396 4.465 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)c1 ZINC000451853537 1045734498 /nfs/dbraw/zinc/73/44/98/1045734498.db2.gz LRSVTMCBQWSQMC-IBGZPJMESA-N 1 1 322.408 4.147 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(CC#N)cc3)C2)c1 ZINC000452009841 1045757510 /nfs/dbraw/zinc/75/75/10/1045757510.db2.gz ASDYQEUKHSYCSO-MXVIHJGJSA-N 1 1 320.436 4.139 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000191862788 1045759649 /nfs/dbraw/zinc/75/96/49/1045759649.db2.gz MCXLWDWIGQGQJE-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO Cc1cccc([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000753591420 1045770402 /nfs/dbraw/zinc/77/04/02/1045770402.db2.gz PZLBZMUMLIJKOC-PXNSSMCTSA-N 1 1 320.436 4.275 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1c(F)cccc1Cl ZINC000192162099 1045788289 /nfs/dbraw/zinc/78/82/89/1045788289.db2.gz CIYASYGIOJIXDV-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915446 1045834555 /nfs/dbraw/zinc/83/45/55/1045834555.db2.gz LIKJPWWQZNHNTL-LSDHHAIUSA-N 1 1 300.402 4.134 20 30 DIEDMO C=C(C)CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001125051777 1045842701 /nfs/dbraw/zinc/84/27/01/1045842701.db2.gz TUZKNVCEBODAOT-KRWDZBQOSA-N 1 1 314.473 4.034 20 30 DIEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801923623 1045843025 /nfs/dbraw/zinc/84/30/25/1045843025.db2.gz LQTKAKZZRQWQEV-DLBZAZTESA-N 1 1 308.425 4.275 20 30 DIEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2ccc(C)o2)cc1OC ZINC000631242302 1045844337 /nfs/dbraw/zinc/84/43/37/1045844337.db2.gz FBLVHRFRUOZALC-UHFFFAOYSA-N 1 1 321.804 4.105 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953932 1045858771 /nfs/dbraw/zinc/85/87/71/1045858771.db2.gz YYZKZQNYSWNPDB-KDOFPFPSSA-N 1 1 320.864 4.432 20 30 DIEDMO C#CC[N@@H+](Cc1cccc2ncccc12)[C@@H]1CCc2ccccc21 ZINC001137629647 1045911287 /nfs/dbraw/zinc/91/12/87/1045911287.db2.gz YYRGTLFYEGXSCI-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137636884 1045912549 /nfs/dbraw/zinc/91/25/49/1045912549.db2.gz QSNOKANUPYVWPM-LBPRGKRZSA-N 1 1 307.235 4.085 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000754703530 1045913679 /nfs/dbraw/zinc/91/36/79/1045913679.db2.gz KAGDYERACZXSOB-CYBMUJFWSA-N 1 1 310.397 4.138 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H]2c2ccccc2)c1O ZINC000754725954 1045920122 /nfs/dbraw/zinc/92/01/22/1045920122.db2.gz ISNJVJWUUWEDDY-LJQANCHMSA-N 1 1 309.409 4.076 20 30 DIEDMO C=CCc1cc(C[N@@H+](C2CC2)C2CCCC2)c(O)c(OC)c1 ZINC000754726713 1045921258 /nfs/dbraw/zinc/92/12/58/1045921258.db2.gz SBQHWCWPGBQZBR-UHFFFAOYSA-N 1 1 301.430 4.036 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000779604432 1045926116 /nfs/dbraw/zinc/92/61/16/1045926116.db2.gz LKOPFGYHJHQLBC-QGZVFWFLSA-N 1 1 311.473 4.049 20 30 DIEDMO C[C@H](c1ccco1)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875932 1045935781 /nfs/dbraw/zinc/93/57/81/1045935781.db2.gz QMMYVIILDOQGFW-OAHLLOKOSA-N 1 1 310.397 4.146 20 30 DIEDMO C#CCC[NH2+]C1(c2noc(C3CCCCC3)n2)CCCCCC1 ZINC000755189089 1045960827 /nfs/dbraw/zinc/96/08/27/1045960827.db2.gz NZJMBIOBIJDZTQ-UHFFFAOYSA-N 1 1 315.461 4.280 20 30 DIEDMO CCCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000755250979 1045966702 /nfs/dbraw/zinc/96/67/02/1045966702.db2.gz PUFQYTCTEYZCJX-QZTJIDSGSA-N 1 1 323.525 4.053 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cc(F)cc(F)c2)cc1 ZINC000755600095 1046001632 /nfs/dbraw/zinc/00/16/32/1046001632.db2.gz XSOLCKFIJNURSN-UQCOIBPSSA-N 1 1 324.330 4.355 20 30 DIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccc(C#N)cc2)c2ccccn21 ZINC000755625135 1046002077 /nfs/dbraw/zinc/00/20/77/1046002077.db2.gz GDWVQJXTEYTJMI-KHPPLWFESA-N 1 1 315.376 4.225 20 30 DIEDMO CC[N@H+](CCC#N)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902511 1046005482 /nfs/dbraw/zinc/00/54/82/1046005482.db2.gz GGEVVQJZYAOPIY-UHFFFAOYSA-N 1 1 318.424 4.062 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902511 1046005490 /nfs/dbraw/zinc/00/54/90/1046005490.db2.gz GGEVVQJZYAOPIY-UHFFFAOYSA-N 1 1 318.424 4.062 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779437 1046007305 /nfs/dbraw/zinc/00/73/05/1046007305.db2.gz USGMOYBCERKTMR-UONOGXRCSA-N 1 1 317.383 4.228 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788941 1046008003 /nfs/dbraw/zinc/00/80/03/1046008003.db2.gz KESPAKZQKKRCNH-IAGOWNOFSA-N 1 1 323.440 4.150 20 30 DIEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000802651529 1046022961 /nfs/dbraw/zinc/02/29/61/1046022961.db2.gz ZLMWUHWKTZZHLN-UHFFFAOYSA-N 1 1 315.214 4.119 20 30 DIEDMO N#Cc1ccccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000756035152 1046041438 /nfs/dbraw/zinc/04/14/38/1046041438.db2.gz AEIYZZLKUMXUGA-GOSISDBHSA-N 1 1 304.393 4.094 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902750165 1046059463 /nfs/dbraw/zinc/05/94/63/1046059463.db2.gz BDNQQLCRSPNDDR-GJZGRUSLSA-N 1 1 309.413 4.152 20 30 DIEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902765654 1046065630 /nfs/dbraw/zinc/06/56/30/1046065630.db2.gz RULDOEHYYAGINQ-ZIAGYGMSSA-N 1 1 305.381 4.420 20 30 DIEDMO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1cccc(C#N)c1 ZINC000902785232 1046068103 /nfs/dbraw/zinc/06/81/03/1046068103.db2.gz CDUFKHWPVJSECN-SFHVURJKSA-N 1 1 316.408 4.051 20 30 DIEDMO FC(F)(F)c1cc(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001138051890 1046074702 /nfs/dbraw/zinc/07/47/02/1046074702.db2.gz OJGJXBXBNGSDCQ-UHFFFAOYSA-N 1 1 309.784 4.253 20 30 DIEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000779809039 1046088968 /nfs/dbraw/zinc/08/89/68/1046088968.db2.gz SCUSYQRNSTZBFS-UHFFFAOYSA-N 1 1 313.710 4.012 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 ZINC000902881172 1046100456 /nfs/dbraw/zinc/10/04/56/1046100456.db2.gz GFSYIXMQADUMLS-LJQANCHMSA-N 1 1 308.429 4.111 20 30 DIEDMO COc1cccc(C=C2CC[NH+](Cc3ccccc3C#N)CC2)c1 ZINC000532124706 1046103501 /nfs/dbraw/zinc/10/35/01/1046103501.db2.gz FOOSBTIVVOAYRS-UHFFFAOYSA-N 1 1 318.420 4.246 20 30 DIEDMO CCCC[N@H+](C)c1ccc(N[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902938186 1046115253 /nfs/dbraw/zinc/11/52/53/1046115253.db2.gz PTMBMNFMEARDRP-OAHLLOKOSA-N 1 1 308.429 4.363 20 30 DIEDMO CCCC[N@@H+](C)c1ccc(N[C@H](C)c2cc(C#N)ccn2)cc1 ZINC000902938186 1046115261 /nfs/dbraw/zinc/11/52/61/1046115261.db2.gz PTMBMNFMEARDRP-OAHLLOKOSA-N 1 1 308.429 4.363 20 30 DIEDMO C[N@@H+]1Cc2ccccc2[C@@H](/N=C\c2c(O)ccc3ccccc32)C1 ZINC000756841211 1046142003 /nfs/dbraw/zinc/14/20/03/1046142003.db2.gz POMSURSEMXGRRG-YOYPMJMESA-N 1 1 316.404 4.151 20 30 DIEDMO CCCCCCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000831499851 1046143644 /nfs/dbraw/zinc/14/36/44/1046143644.db2.gz RINDXYGMRVFYIB-UHFFFAOYSA-N 1 1 316.489 4.081 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336338 1046153601 /nfs/dbraw/zinc/15/36/01/1046153601.db2.gz PQMOQZMGLMIHJX-OAQYLSRUSA-N 1 1 314.432 4.212 20 30 DIEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001168148092 1046154358 /nfs/dbraw/zinc/15/43/58/1046154358.db2.gz YPGCKYRUSHBSEH-ZJVMWOEPSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1cnccc1C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC001168148092 1046154364 /nfs/dbraw/zinc/15/43/64/1046154364.db2.gz YPGCKYRUSHBSEH-ZJVMWOEPSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001168148091 1046154517 /nfs/dbraw/zinc/15/45/17/1046154517.db2.gz YPGCKYRUSHBSEH-XPTLAUCJSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1cnccc1C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC001168148091 1046154524 /nfs/dbraw/zinc/15/45/24/1046154524.db2.gz YPGCKYRUSHBSEH-XPTLAUCJSA-N 1 1 317.436 4.411 20 30 DIEDMO CC[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000903081719 1046159376 /nfs/dbraw/zinc/15/93/76/1046159376.db2.gz XKSROMWASLVQRE-QZTJIDSGSA-N 1 1 300.352 4.449 20 30 DIEDMO CC[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000903081721 1046159597 /nfs/dbraw/zinc/15/95/97/1046159597.db2.gz XKSROMWASLVQRE-ZWKOTPCHSA-N 1 1 300.352 4.449 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000756998518 1046159759 /nfs/dbraw/zinc/15/97/59/1046159759.db2.gz XLYOXLKZCLEJKH-INIZCTEOSA-N 1 1 308.406 4.257 20 30 DIEDMO Cc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)sc1Br ZINC000903101229 1046162953 /nfs/dbraw/zinc/16/29/53/1046162953.db2.gz CWJAEGNHDSKZQG-SECBINFHSA-N 1 1 301.253 4.019 20 30 DIEDMO CSC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000903100226 1046163799 /nfs/dbraw/zinc/16/37/99/1046163799.db2.gz KSQPNARFJVPDTK-CYBMUJFWSA-N 1 1 316.392 4.249 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2ccccc2c1OC(F)F ZINC000903101154 1046163840 /nfs/dbraw/zinc/16/38/40/1046163840.db2.gz BJSFELJXWWXBPL-LBPRGKRZSA-N 1 1 316.351 4.396 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2cc(Br)ccc2o1 ZINC000903106734 1046165909 /nfs/dbraw/zinc/16/59/09/1046165909.db2.gz URTZBSNPIGFUTD-JTQLQIEISA-N 1 1 319.202 4.150 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)ccc1OC)[C@@H]1CCc2ccccc21 ZINC001138488183 1046199144 /nfs/dbraw/zinc/19/91/44/1046199144.db2.gz XORBTGWMQMTKON-HXUWFJFHSA-N 1 1 305.421 4.126 20 30 DIEDMO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC001138516138 1046210191 /nfs/dbraw/zinc/21/01/91/1046210191.db2.gz IKYISLBPISXXLS-KRWDZBQOSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)cc1 ZINC001138516138 1046210197 /nfs/dbraw/zinc/21/01/97/1046210197.db2.gz IKYISLBPISXXLS-KRWDZBQOSA-N 1 1 306.409 4.098 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000831938097 1046227541 /nfs/dbraw/zinc/22/75/41/1046227541.db2.gz YEHLUIJWCXNMEH-IAGOWNOFSA-N 1 1 308.510 4.140 20 30 DIEDMO C=CCC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC001138601517 1046234996 /nfs/dbraw/zinc/23/49/96/1046234996.db2.gz KHTPZOABCVZNJV-UHFFFAOYSA-N 1 1 317.436 4.451 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506137 1046237313 /nfs/dbraw/zinc/23/73/13/1046237313.db2.gz NIVJBNSSYYOLOG-QRWLVFNGSA-N 1 1 324.399 4.454 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510512 1046240183 /nfs/dbraw/zinc/24/01/83/1046240183.db2.gz WKICIEGUGCDRRZ-NRFANRHFSA-N 1 1 319.452 4.156 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510692 1046240549 /nfs/dbraw/zinc/24/05/49/1046240549.db2.gz WSMGVXBNXMTVSE-QRWLVFNGSA-N 1 1 306.409 4.097 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H](C#N)CC3)c2)cc1 ZINC001138616352 1046241329 /nfs/dbraw/zinc/24/13/29/1046241329.db2.gz VOGLBKPTHHSRSC-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccc(-c2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC001138617985 1046244106 /nfs/dbraw/zinc/24/41/06/1046244106.db2.gz PEQZNTHAMYKZSG-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2)cc1 ZINC001138617985 1046244117 /nfs/dbraw/zinc/24/41/17/1046244117.db2.gz PEQZNTHAMYKZSG-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1C(C)(C)OC ZINC001138665729 1046260799 /nfs/dbraw/zinc/26/07/99/1046260799.db2.gz VSNNDYGCBCQQFI-GOSISDBHSA-N 1 1 303.446 4.031 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)cc1 ZINC000245710855 1046262204 /nfs/dbraw/zinc/26/22/04/1046262204.db2.gz FYISTDXTVXHQLG-LLGFUMIMSA-N 1 1 320.436 4.355 20 30 DIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245740538 1046264341 /nfs/dbraw/zinc/26/43/41/1046264341.db2.gz LQGBCRZPOXWFAR-CRAIPNDOSA-N 1 1 318.486 4.085 20 30 DIEDMO C=CC[N@H+](Cc1ccnc(Br)c1)C1CCCCC1 ZINC001138734350 1046282202 /nfs/dbraw/zinc/28/22/02/1046282202.db2.gz APSXIEYCXJFKPQ-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001168181566 1046297908 /nfs/dbraw/zinc/29/79/08/1046297908.db2.gz FVJWVNFBZQDFGE-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3c1cccc3Cl)C2 ZINC001138830947 1046303580 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C=CC[N@@H+](Cc1cc(F)cc(Br)c1)C(C)(C)C ZINC001139177740 1046403273 /nfs/dbraw/zinc/40/32/73/1046403273.db2.gz MVGVRKSSESOXRE-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO N#CCC1C[NH+](Cc2ccccc2Oc2cccc(Cl)c2)C1 ZINC001139259914 1046420024 /nfs/dbraw/zinc/42/00/24/1046420024.db2.gz KEXUMLNTXRDJCE-UHFFFAOYSA-N 1 1 312.800 4.478 20 30 DIEDMO C=CCOCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001168208311 1046422061 /nfs/dbraw/zinc/42/20/61/1046422061.db2.gz NQAMXFZIMDAEPH-NRFANRHFSA-N 1 1 307.437 4.031 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC001139329188 1046429560 /nfs/dbraw/zinc/42/95/60/1046429560.db2.gz WGNKGYKKOKIETL-UHFFFAOYSA-N 1 1 306.331 4.385 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2cccc(OC)c2)n1 ZINC000639863588 1046432188 /nfs/dbraw/zinc/43/21/88/1046432188.db2.gz NCTORXVCQRTETH-CALCHBBNSA-N 1 1 310.397 4.033 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC4(CCCC4)C3)cc2)c1 ZINC001139406888 1046443786 /nfs/dbraw/zinc/44/37/86/1046443786.db2.gz ITBLTXRPHNKMLE-UHFFFAOYSA-N 1 1 317.436 4.386 20 30 DIEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425068 1046448350 /nfs/dbraw/zinc/44/83/50/1046448350.db2.gz DCBMMRQHVQGJDZ-QGZVFWFLSA-N 1 1 307.397 4.120 20 30 DIEDMO CCCCC[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423279 1046449202 /nfs/dbraw/zinc/44/92/02/1046449202.db2.gz BKZHZPJXBNSENN-UHFFFAOYSA-N 1 1 309.413 4.368 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139427160 1046450511 /nfs/dbraw/zinc/45/05/11/1046450511.db2.gz WTTAUDCZZSWRKJ-INIZCTEOSA-N 1 1 321.424 4.368 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccsc2)nc1 ZINC001139499714 1046456586 /nfs/dbraw/zinc/45/65/86/1046456586.db2.gz XJYGGHYVBLLUAV-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1F ZINC001139527240 1046463503 /nfs/dbraw/zinc/46/35/03/1046463503.db2.gz BVPRYCBKCMGCDH-QGZVFWFLSA-N 1 1 308.400 4.152 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000826861264 1046476240 /nfs/dbraw/zinc/47/62/40/1046476240.db2.gz CYMHHIIWWARTSH-LBPRGKRZSA-N 1 1 314.376 4.424 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247445472 1046481503 /nfs/dbraw/zinc/48/15/03/1046481503.db2.gz IYTKAISYLDFZPE-RTBURBONSA-N 1 1 324.424 4.020 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000127594936 1046484955 /nfs/dbraw/zinc/48/49/55/1046484955.db2.gz MZZSRBUNLOILBA-INIZCTEOSA-N 1 1 314.454 4.088 20 30 DIEDMO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1C(C)C ZINC001139614563 1046486515 /nfs/dbraw/zinc/48/65/15/1046486515.db2.gz DDEYBLUTVMYTIL-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1C(C)C ZINC001139614563 1046486522 /nfs/dbraw/zinc/48/65/22/1046486522.db2.gz DDEYBLUTVMYTIL-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO C=C(C[NH2+][C@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000677416746 1046494804 /nfs/dbraw/zinc/49/48/04/1046494804.db2.gz REKDGQTUEHHOOC-LLVKDONJSA-N 1 1 323.259 4.270 20 30 DIEDMO CC(C)c1ccccc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000826881688 1046489990 /nfs/dbraw/zinc/48/99/90/1046489990.db2.gz CLSCALTZIZNMCO-NRFANRHFSA-N 1 1 319.452 4.262 20 30 DIEDMO CC(C)c1ccccc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000826881688 1046489994 /nfs/dbraw/zinc/48/99/94/1046489994.db2.gz CLSCALTZIZNMCO-NRFANRHFSA-N 1 1 319.452 4.262 20 30 DIEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108728 1046493943 /nfs/dbraw/zinc/49/39/43/1046493943.db2.gz VFSQKSDOBWXDIX-KDOFPFPSSA-N 1 1 318.848 4.254 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(C#N)ccc1F ZINC001139651756 1046494671 /nfs/dbraw/zinc/49/46/71/1046494671.db2.gz UIFOVSCGDUKUAR-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC001139651851 1046495594 /nfs/dbraw/zinc/49/55/94/1046495594.db2.gz WSHNLPLKUCJVQA-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC001139651851 1046495599 /nfs/dbraw/zinc/49/55/99/1046495599.db2.gz WSHNLPLKUCJVQA-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000782181915 1046497849 /nfs/dbraw/zinc/49/78/49/1046497849.db2.gz KMWXBZBVAOOMMG-INIZCTEOSA-N 1 1 316.445 4.382 20 30 DIEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001139691148 1046499722 /nfs/dbraw/zinc/49/97/22/1046499722.db2.gz UHBHTHNXWSVYNC-INIZCTEOSA-N 1 1 310.828 4.276 20 30 DIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1cccc(Cl)c1C#N ZINC001139692280 1046499851 /nfs/dbraw/zinc/49/98/51/1046499851.db2.gz UXDMVWLJJOFROJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cccc(Cl)c1C#N ZINC001139692280 1046499857 /nfs/dbraw/zinc/49/98/57/1046499857.db2.gz UXDMVWLJJOFROJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C[N@@H+](CCCc1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139705067 1046500734 /nfs/dbraw/zinc/50/07/34/1046500734.db2.gz LDDDSPYXIZBCMB-UHFFFAOYSA-N 1 1 303.409 4.104 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CCc4cccc(Cl)c4C3)c[nH]c21 ZINC001139706578 1046500840 /nfs/dbraw/zinc/50/08/40/1046500840.db2.gz YWBQJIYDRGIQRW-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCc4cccc(Cl)c4C3)c[nH]c21 ZINC001139706578 1046500852 /nfs/dbraw/zinc/50/08/52/1046500852.db2.gz YWBQJIYDRGIQRW-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO CC(C)[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139701403 1046501069 /nfs/dbraw/zinc/50/10/69/1046501069.db2.gz HDMWGYQOTAXTIJ-UHFFFAOYSA-N 1 1 303.409 4.450 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2c1cccc2C#N ZINC001139703758 1046501516 /nfs/dbraw/zinc/50/15/16/1046501516.db2.gz UAYVBQHKKMWGKP-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CC[C@H](c4ccccc4)C3)c[nH]c21 ZINC001139701881 1046501575 /nfs/dbraw/zinc/50/15/75/1046501575.db2.gz ROKBLESTFCVUCU-KRWDZBQOSA-N 1 1 301.393 4.029 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)[C@@H]1CCc2ccccc21 ZINC001139707579 1046503519 /nfs/dbraw/zinc/50/35/19/1046503519.db2.gz KRIXKKCNIGNRDK-LJQANCHMSA-N 1 1 301.393 4.159 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)C(C)(C)Cc1ccccc1 ZINC001139706822 1046503858 /nfs/dbraw/zinc/50/38/58/1046503858.db2.gz JHQVWQFMLGGSOT-UHFFFAOYSA-N 1 1 317.436 4.493 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001139727264 1046505492 /nfs/dbraw/zinc/50/54/92/1046505492.db2.gz LHYONFOMXCEOAY-LJQANCHMSA-N 1 1 320.436 4.255 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)cc1C#N ZINC001139726276 1046505721 /nfs/dbraw/zinc/50/57/21/1046505721.db2.gz DUAVDNLMYWGNDZ-LJQANCHMSA-N 1 1 323.465 4.018 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001139727410 1046506444 /nfs/dbraw/zinc/50/64/44/1046506444.db2.gz PWIFJTRIGLTIGQ-FQEVSTJZSA-N 1 1 320.436 4.350 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001139727410 1046506452 /nfs/dbraw/zinc/50/64/52/1046506452.db2.gz PWIFJTRIGLTIGQ-FQEVSTJZSA-N 1 1 320.436 4.350 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001139727263 1046507288 /nfs/dbraw/zinc/50/72/88/1046507288.db2.gz LHYONFOMXCEOAY-IBGZPJMESA-N 1 1 320.436 4.255 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc2cccnc2c1 ZINC001139740605 1046509096 /nfs/dbraw/zinc/50/90/96/1046509096.db2.gz CXVNTWIGZZYEOS-UHFFFAOYSA-N 1 1 303.409 4.208 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757353 1046514746 /nfs/dbraw/zinc/51/47/46/1046514746.db2.gz OZMFMDZMJDWRHB-UHFFFAOYSA-N 1 1 314.473 4.331 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC001139770242 1046515191 /nfs/dbraw/zinc/51/51/91/1046515191.db2.gz INBVOOXMMCLPBB-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)cn1 ZINC001139770242 1046515199 /nfs/dbraw/zinc/51/51/99/1046515199.db2.gz INBVOOXMMCLPBB-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139822572 1046527177 /nfs/dbraw/zinc/52/71/77/1046527177.db2.gz GMADGYBNYPZSHH-HNNXBMFYSA-N 1 1 311.454 4.244 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC001139875715 1046538996 /nfs/dbraw/zinc/53/89/96/1046538996.db2.gz BMQUMECMBLYEFN-MRXNPFEDSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001139874905 1046539361 /nfs/dbraw/zinc/53/93/61/1046539361.db2.gz QVVQWAKVYZZVEQ-KRWDZBQOSA-N 1 1 308.400 4.152 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc(C#N)c2)c1 ZINC001139875161 1046539487 /nfs/dbraw/zinc/53/94/87/1046539487.db2.gz IVBWNQVNRVCNSX-FQEVSTJZSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(C#N)c2)c1 ZINC001139875161 1046539502 /nfs/dbraw/zinc/53/95/02/1046539502.db2.gz IVBWNQVNRVCNSX-FQEVSTJZSA-N 1 1 324.399 4.433 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001139876252 1046539915 /nfs/dbraw/zinc/53/99/15/1046539915.db2.gz OKEHOHPCMZXDNM-IBGZPJMESA-N 1 1 308.400 4.467 20 30 DIEDMO C#CC[N@@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CCc2ccccc21 ZINC001137319008 1046540241 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C[C@]1(C#N)CCC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000784014888 1046650150 /nfs/dbraw/zinc/65/01/50/1046650150.db2.gz SQYBHJBILXWJKI-HXUWFJFHSA-N 1 1 324.424 4.143 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC(C)(C)C1 ZINC000784350144 1046682798 /nfs/dbraw/zinc/68/27/98/1046682798.db2.gz IMCGYUVDDUBAPK-ZDUSSCGKSA-N 1 1 306.837 4.110 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC(C)(C)C1 ZINC000784350141 1046683455 /nfs/dbraw/zinc/68/34/55/1046683455.db2.gz IMCGYUVDDUBAPK-CYBMUJFWSA-N 1 1 306.837 4.110 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1Cl ZINC000784342509 1046683501 /nfs/dbraw/zinc/68/35/01/1046683501.db2.gz WCAYCYOCIXXSOT-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cnc(CC)o2)cc1 ZINC000834899108 1046710064 /nfs/dbraw/zinc/71/00/64/1046710064.db2.gz IAXFHTGUYCSLFU-ZDUSSCGKSA-N 1 1 320.820 4.219 20 30 DIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000533417837 1046717070 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ZINC001198020273 1047920261 /nfs/dbraw/zinc/92/02/61/1047920261.db2.gz NIDJDFKNXKVBBL-UHFFFAOYSA-N 1 1 311.429 4.274 20 30 DIEDMO C#CC[N@H+](C[C@H]1CCCC(C)(C)O1)[C@@H]1CCCc2ccccc21 ZINC001198105809 1047926904 /nfs/dbraw/zinc/92/69/04/1047926904.db2.gz ZJDIBXUGNHROKA-UYAOXDASSA-N 1 1 311.469 4.347 20 30 DIEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001174615230 1047927061 /nfs/dbraw/zinc/92/70/61/1047927061.db2.gz RDRCUMPZELGVEI-KRWDZBQOSA-N 1 1 324.509 4.310 20 30 DIEDMO C#CC[N@H+](CCc1ccccc1F)[C@H]1CCCc2ccccc21 ZINC001198102824 1047927953 /nfs/dbraw/zinc/92/79/53/1047927953.db2.gz AWONNGDPECBMDY-NRFANRHFSA-N 1 1 307.412 4.381 20 30 DIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc2c(c1)CCCC2 ZINC001183428576 1047928096 /nfs/dbraw/zinc/92/80/96/1047928096.db2.gz JNBDBRBXDJBRDF-UHFFFAOYSA-N 1 1 304.437 4.112 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC001198210704 1047933611 /nfs/dbraw/zinc/93/36/11/1047933611.db2.gz KQZMETGUUSBEBC-KRWDZBQOSA-N 1 1 307.482 4.383 20 30 DIEDMO C=CCC[N@@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195225 1047935673 /nfs/dbraw/zinc/93/56/73/1047935673.db2.gz UZSLSZFPLWURKG-INIZCTEOSA-N 1 1 322.493 4.112 20 30 DIEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001198289701 1047941590 /nfs/dbraw/zinc/94/15/90/1047941590.db2.gz RSXGTSIRBFOTMT-LJQANCHMSA-N 1 1 307.412 4.445 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001198271944 1047943297 /nfs/dbraw/zinc/94/32/97/1047943297.db2.gz YVSKSYYGYIUNRS-INIZCTEOSA-N 1 1 308.263 4.422 20 30 DIEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001198414694 1047953442 /nfs/dbraw/zinc/95/34/42/1047953442.db2.gz ZPTLGDWUYUOJBL-QGZVFWFLSA-N 1 1 321.468 4.292 20 30 DIEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001198414521 1047953903 /nfs/dbraw/zinc/95/39/03/1047953903.db2.gz VFQYOEWVMALXOY-CYBMUJFWSA-N 1 1 323.396 4.012 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCC[C@@H]21 ZINC001198452283 1047957792 /nfs/dbraw/zinc/95/77/92/1047957792.db2.gz YNGXGRXGLWZLGX-LSDHHAIUSA-N 1 1 320.383 4.170 20 30 DIEDMO C=CCCC[N@H+](CC)CCOc1ccccc1Br ZINC001198457650 1047959342 /nfs/dbraw/zinc/95/93/42/1047959342.db2.gz GVFZSSIYXNTXKZ-UHFFFAOYSA-N 1 1 312.251 4.116 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC001174771159 1047965222 /nfs/dbraw/zinc/96/52/22/1047965222.db2.gz NPIWMBWBFQYPJZ-RYGJVYDSSA-N 1 1 320.436 4.350 20 30 DIEDMO CCCCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001174781277 1047971890 /nfs/dbraw/zinc/97/18/90/1047971890.db2.gz WDLIMCBYNHMMCR-MOPGFXCFSA-N 1 1 300.446 4.026 20 30 DIEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000553992994 1047979556 /nfs/dbraw/zinc/97/95/56/1047979556.db2.gz WKVHBTPYHXGQKJ-SJORKVTESA-N 1 1 306.494 4.234 20 30 DIEDMO C=CCCCCC[N@@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001198611786 1047985041 /nfs/dbraw/zinc/98/50/41/1047985041.db2.gz FYFKZNRRZUTIHY-UHFFFAOYSA-N 1 1 322.493 4.255 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000774714127 1047998191 /nfs/dbraw/zinc/99/81/91/1047998191.db2.gz PWEFWEQMWQWBIW-ULQDDVLXSA-N 1 1 324.509 4.356 20 30 DIEDMO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1F ZINC000554088139 1048007747 /nfs/dbraw/zinc/00/77/47/1048007747.db2.gz KAIGARJXYADHRR-LDLUMPKVSA-N 1 1 314.335 4.009 20 30 DIEDMO CCCC#CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001184273271 1048016020 /nfs/dbraw/zinc/01/60/20/1048016020.db2.gz MQZQLXHCWXEUKE-UHFFFAOYSA-N 1 1 312.457 4.193 20 30 DIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263503 1048051831 /nfs/dbraw/zinc/05/18/31/1048051831.db2.gz HIXHWVMYUNDNJI-KXBFYZLASA-N 1 1 310.828 4.170 20 30 DIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263503 1048051844 /nfs/dbraw/zinc/05/18/44/1048051844.db2.gz HIXHWVMYUNDNJI-KXBFYZLASA-N 1 1 310.828 4.170 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000554310349 1048066293 /nfs/dbraw/zinc/06/62/93/1048066293.db2.gz JAZOUSXBZIAWPC-GOSISDBHSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000554310349 1048066307 /nfs/dbraw/zinc/06/63/07/1048066307.db2.gz JAZOUSXBZIAWPC-GOSISDBHSA-N 1 1 324.424 4.159 20 30 DIEDMO Cc1ccc(Cl)c(CCNc2ccc(CC#N)c(C)[nH+]2)c1F ZINC001160802454 1048085953 /nfs/dbraw/zinc/08/59/53/1048085953.db2.gz XRJPHVHKZXYKOD-UHFFFAOYSA-N 1 1 317.795 4.212 20 30 DIEDMO Cc1ccc(CC#N)c(NCCc2c(Cl)ccc(C)c2F)[nH+]1 ZINC001160802217 1048086599 /nfs/dbraw/zinc/08/65/99/1048086599.db2.gz RSGBSYPFMALVSE-UHFFFAOYSA-N 1 1 317.795 4.212 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271257 1048108773 /nfs/dbraw/zinc/10/87/73/1048108773.db2.gz YSBYDAPHYBLRPX-YJBOKZPZSA-N 1 1 321.896 4.084 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000554589440 1048134698 /nfs/dbraw/zinc/13/46/98/1048134698.db2.gz UEURPZOGXRJGNY-IINYFYTJSA-N 1 1 308.212 4.014 20 30 DIEDMO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001200942362 1048166607 /nfs/dbraw/zinc/16/66/07/1048166607.db2.gz OULCICDDXKPJCX-NLWGTHIKSA-N 1 1 300.490 4.231 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000554743466 1048172448 /nfs/dbraw/zinc/17/24/48/1048172448.db2.gz XVRRFSTVHQRUBY-HXUWFJFHSA-N 1 1 308.425 4.344 20 30 DIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527311 1048172971 /nfs/dbraw/zinc/17/29/71/1048172971.db2.gz OUKIDOYWVFGYAL-HZPDHXFCSA-N 1 1 308.878 4.318 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC001175249331 1048222144 /nfs/dbraw/zinc/22/21/44/1048222144.db2.gz GPOIWHZVHYYZMG-CTNGQTDRSA-N 1 1 315.420 4.349 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC001175249331 1048222150 /nfs/dbraw/zinc/22/21/50/1048222150.db2.gz GPOIWHZVHYYZMG-CTNGQTDRSA-N 1 1 315.420 4.349 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001186070252 1048259086 /nfs/dbraw/zinc/25/90/86/1048259086.db2.gz NSTRACFOINBILD-LSDHHAIUSA-N 1 1 315.436 4.071 20 30 DIEDMO COc1cccc2cc([C@@H](C)[NH2+]Cc3cc(C#N)ccc3F)oc21 ZINC000776165552 1048261869 /nfs/dbraw/zinc/26/18/69/1048261869.db2.gz RZDFXMHBUBZPKG-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000555092528 1048266834 /nfs/dbraw/zinc/26/68/34/1048266834.db2.gz IKDILLKXWPCFTL-RXQFDZFGSA-N 1 1 323.465 4.473 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000555092528 1048266841 /nfs/dbraw/zinc/26/68/41/1048266841.db2.gz IKDILLKXWPCFTL-RXQFDZFGSA-N 1 1 323.465 4.473 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(N[C@@](C)(C#N)CC(C)C)nc1 ZINC001162520296 1048295746 /nfs/dbraw/zinc/29/57/46/1048295746.db2.gz WMWGNZYNOJAYLP-PKOBYXMFSA-N 1 1 314.477 4.369 20 30 DIEDMO CCCCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001203970678 1048307393 /nfs/dbraw/zinc/30/73/93/1048307393.db2.gz QTELKFIPEOCSPQ-UHFFFAOYSA-N 1 1 308.425 4.369 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)s1 ZINC001175491107 1048325860 /nfs/dbraw/zinc/32/58/60/1048325860.db2.gz JXZSVFCKFQVVOK-QGZVFWFLSA-N 1 1 300.402 4.081 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)s1 ZINC001175491107 1048325872 /nfs/dbraw/zinc/32/58/72/1048325872.db2.gz JXZSVFCKFQVVOK-QGZVFWFLSA-N 1 1 300.402 4.081 20 30 DIEDMO CCCCCCCCCCC[NH+]1CCN(C2CCOCC2)CC1 ZINC001201630603 1048327378 /nfs/dbraw/zinc/32/73/78/1048327378.db2.gz CPEFCUCPMFFWAH-UHFFFAOYSA-N 1 1 324.553 4.314 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001201631400 1048328113 /nfs/dbraw/zinc/32/81/13/1048328113.db2.gz RODBFKFWIWTVMF-MRXNPFEDSA-N 1 1 305.453 4.467 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000481279482 1048353563 /nfs/dbraw/zinc/35/35/63/1048353563.db2.gz DOTCTHNUXKHJPB-SFHVURJKSA-N 1 1 312.388 4.013 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000481279482 1048353577 /nfs/dbraw/zinc/35/35/77/1048353577.db2.gz DOTCTHNUXKHJPB-SFHVURJKSA-N 1 1 312.388 4.013 20 30 DIEDMO C[N@@H+](CCc1cccc(C#N)c1)[C@@H]1CCCc2ccc(F)cc21 ZINC001175531305 1048359523 /nfs/dbraw/zinc/35/95/23/1048359523.db2.gz KBCUGKZSODJQTA-HXUWFJFHSA-N 1 1 308.400 4.249 20 30 DIEDMO CC(C)C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481307268 1048359915 /nfs/dbraw/zinc/35/99/15/1048359915.db2.gz KUMTYXSWNIVQQQ-FQEVSTJZSA-N 1 1 319.452 4.489 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121537 1048368304 /nfs/dbraw/zinc/36/83/04/1048368304.db2.gz WAIDSUUMCZYLGH-PZJWPPBQSA-N 1 1 315.420 4.440 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762228 1048370293 /nfs/dbraw/zinc/37/02/93/1048370293.db2.gz BSVOUGNUJWKQPQ-INIZCTEOSA-N 1 1 324.509 4.146 20 30 DIEDMO CCCCCCC[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001201776609 1048375900 /nfs/dbraw/zinc/37/59/00/1048375900.db2.gz GXWJBSIBIHDGRB-UHFFFAOYSA-N 1 1 313.445 4.108 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001201814892 1048376609 /nfs/dbraw/zinc/37/66/09/1048376609.db2.gz TUCQAHBRIKYOKG-BRWVUGGUSA-N 1 1 321.465 4.033 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC001175621895 1048376853 /nfs/dbraw/zinc/37/68/53/1048376853.db2.gz MTSXLPWYENEPAF-CQSZACIVSA-N 1 1 324.262 4.173 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC001175621895 1048376854 /nfs/dbraw/zinc/37/68/54/1048376854.db2.gz MTSXLPWYENEPAF-CQSZACIVSA-N 1 1 324.262 4.173 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001201787916 1048379023 /nfs/dbraw/zinc/37/90/23/1048379023.db2.gz PWILZICTXFVYCX-INIZCTEOSA-N 1 1 312.498 4.336 20 30 DIEDMO CCCCCCC[N@H+]1CCc2ncc(Br)cc2C1 ZINC001201787796 1048379675 /nfs/dbraw/zinc/37/96/75/1048379675.db2.gz MUZSBWBQTNRARD-UHFFFAOYSA-N 1 1 311.267 4.173 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201838929 1048385891 /nfs/dbraw/zinc/38/58/91/1048385891.db2.gz GNLGWMJLFWOCDG-MRXNPFEDSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201838929 1048385897 /nfs/dbraw/zinc/38/58/97/1048385897.db2.gz GNLGWMJLFWOCDG-MRXNPFEDSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201839387 1048387843 /nfs/dbraw/zinc/38/78/43/1048387843.db2.gz MQPDWXRIDFUWBL-GJZGRUSLSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001201839765 1048388393 /nfs/dbraw/zinc/38/83/93/1048388393.db2.gz RJGDVONLPQIZKS-KRWDZBQOSA-N 1 1 321.509 4.199 20 30 DIEDMO C[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccc(F)cc1 ZINC000600213085 1048388641 /nfs/dbraw/zinc/38/86/41/1048388641.db2.gz QBSQFGXRWUBVDJ-HNNXBMFYSA-N 1 1 308.400 4.054 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001201847539 1048390606 /nfs/dbraw/zinc/39/06/06/1048390606.db2.gz WZFRMTFGFOTBMH-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000481398353 1048392467 /nfs/dbraw/zinc/39/24/67/1048392467.db2.gz DOZBCNFYYKMSHC-LJQANCHMSA-N 1 1 305.425 4.243 20 30 DIEDMO N#CC1(CC[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CCCCC1 ZINC001175668551 1048411828 /nfs/dbraw/zinc/41/18/28/1048411828.db2.gz CAWIAVYOPILYAY-LJQANCHMSA-N 1 1 323.484 4.335 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481671452 1048452261 /nfs/dbraw/zinc/45/22/61/1048452261.db2.gz BPRMLPDEGSTZIZ-HRAATJIYSA-N 1 1 318.420 4.141 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000899994649 1048501472 /nfs/dbraw/zinc/50/14/72/1048501472.db2.gz KJRWZLBPHWADNC-NSHDSACASA-N 1 1 312.200 4.400 20 30 DIEDMO [NH2+]=C(Nc1cccc2[nH]cc(F)c21)c1ccc(C(F)(F)F)cc1 ZINC001163684283 1048503374 /nfs/dbraw/zinc/50/33/74/1048503374.db2.gz UKIRQSFBWUUJKT-UHFFFAOYSA-N 1 1 321.277 4.363 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2cccc(O)c2)cc1 ZINC001163708565 1048507524 /nfs/dbraw/zinc/50/75/24/1048507524.db2.gz MZOXWPKTBAXDJL-NRFANRHFSA-N 1 1 322.452 4.370 20 30 DIEDMO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000775166960 1048517113 /nfs/dbraw/zinc/51/71/13/1048517113.db2.gz FBBAUKIVGCSRTH-HNNXBMFYSA-N 1 1 312.388 4.057 20 30 DIEDMO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000775166960 1048517125 /nfs/dbraw/zinc/51/71/25/1048517125.db2.gz FBBAUKIVGCSRTH-HNNXBMFYSA-N 1 1 312.388 4.057 20 30 DIEDMO N#CCC[N@@H+](CCCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC001202433572 1048560813 /nfs/dbraw/zinc/56/08/13/1048560813.db2.gz SSFWXAQQVSRADL-UHFFFAOYSA-N 1 1 304.743 4.398 20 30 DIEDMO N#CCC[N@H+](CCCC(F)(F)F)Cc1ccc(Cl)cc1 ZINC001202433572 1048560826 /nfs/dbraw/zinc/56/08/26/1048560826.db2.gz SSFWXAQQVSRADL-UHFFFAOYSA-N 1 1 304.743 4.398 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(Cl)c3)sc2C1 ZINC001176219896 1048607389 /nfs/dbraw/zinc/60/73/89/1048607389.db2.gz QQXSUYLKIZTABT-UHFFFAOYSA-N 1 1 303.818 4.005 20 30 DIEDMO C#CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC001176280962 1048617366 /nfs/dbraw/zinc/61/73/66/1048617366.db2.gz GFXFTDDUDNXXOT-UHFFFAOYSA-N 1 1 300.229 4.106 20 30 DIEDMO CCCCCC[N@H+](Cc1ccc(C)o1)Cc1cncc(C#N)c1 ZINC001176323523 1048625999 /nfs/dbraw/zinc/62/59/99/1048625999.db2.gz XLGDDZATIMWPQP-UHFFFAOYSA-N 1 1 311.429 4.437 20 30 DIEDMO CCCCCC[N@@H+](Cc1ccc(C)o1)Cc1cncc(C#N)c1 ZINC001176323523 1048626012 /nfs/dbraw/zinc/62/60/12/1048626012.db2.gz XLGDDZATIMWPQP-UHFFFAOYSA-N 1 1 311.429 4.437 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001176364365 1048661184 /nfs/dbraw/zinc/66/11/84/1048661184.db2.gz CDXAHZWNVZACRD-JXFKEZNVSA-N 1 1 320.436 4.335 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](CCc1ccccc1)C1CC1 ZINC001176414006 1048680221 /nfs/dbraw/zinc/68/02/21/1048680221.db2.gz VUCKVYHQSYWPAO-UHFFFAOYSA-N 1 1 304.437 4.382 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176454097 1048688441 /nfs/dbraw/zinc/68/84/41/1048688441.db2.gz YSTNLVMIBDTAMV-HXUWFJFHSA-N 1 1 320.392 4.108 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC001176454097 1048688445 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CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001180132834 1049278765 /nfs/dbraw/zinc/27/87/65/1049278765.db2.gz NJGIMRVOQSHJGM-POAQFYNOSA-N 1 1 312.457 4.148 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cc(O)cc(Cl)c3)CC2)cc1 ZINC001180133242 1049279707 /nfs/dbraw/zinc/27/97/07/1049279707.db2.gz SLNXUVFQTUCRIA-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(O)cc(Cl)c3)CC2)cc1 ZINC001180133242 1049279717 /nfs/dbraw/zinc/27/97/17/1049279717.db2.gz SLNXUVFQTUCRIA-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCCC1(C)C ZINC001193920092 1049280981 /nfs/dbraw/zinc/28/09/81/1049280981.db2.gz JJVPTSMWTBDIEL-QGZVFWFLSA-N 1 1 319.420 4.301 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCCC1(C)C ZINC001193920092 1049280996 /nfs/dbraw/zinc/28/09/96/1049280996.db2.gz JJVPTSMWTBDIEL-QGZVFWFLSA-N 1 1 319.420 4.301 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001193941938 1049294543 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C=CCC[C@H](O)C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC001194115650 1049320733 /nfs/dbraw/zinc/32/07/33/1049320733.db2.gz DRLIIHKFGPCXJF-ZDUSSCGKSA-N 1 1 314.256 4.285 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1 ZINC001194115650 1049320748 /nfs/dbraw/zinc/32/07/48/1049320748.db2.gz DRLIIHKFGPCXJF-ZDUSSCGKSA-N 1 1 314.256 4.285 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3nonc3c2)cc1 ZINC001204966750 1049326794 /nfs/dbraw/zinc/32/67/94/1049326794.db2.gz UELUNVANJQSGAP-LJQANCHMSA-N 1 1 305.381 4.213 20 30 DIEDMO Cc1cc(NC2CCC(C#N)CC2)c[nH+]c1N1CCCC[C@@H]1C ZINC001180301937 1049327518 /nfs/dbraw/zinc/32/75/18/1049327518.db2.gz RTIBAGCLZBUPAU-GTPINHCMSA-N 1 1 312.461 4.263 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001194152930 1049328382 /nfs/dbraw/zinc/32/83/82/1049328382.db2.gz JUHPEIBOYLWWJB-LAUBAEHRSA-N 1 1 320.436 4.410 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nn(CC)c2ccccc12 ZINC001180279543 1049331939 /nfs/dbraw/zinc/33/19/39/1049331939.db2.gz 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NXHOQJJNDDSUNI-UHFFFAOYSA-N 1 1 310.772 4.355 20 30 DIEDMO C=CCC[N@H+](C)Cn1cc(C(F)(F)F)cc(Cl)c1=S ZINC000786102346 1050452899 /nfs/dbraw/zinc/45/28/99/1050452899.db2.gz NXHOQJJNDDSUNI-UHFFFAOYSA-N 1 1 310.772 4.355 20 30 DIEDMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144084882 1050463059 /nfs/dbraw/zinc/46/30/59/1050463059.db2.gz RBLAFCRWNAAEGQ-OAHLLOKOSA-N 1 1 301.393 4.299 20 30 DIEDMO C=CCCC[N@@H+](C)Cn1c2ccccc2n(C(F)F)c1=S ZINC000736590097 1050483927 /nfs/dbraw/zinc/48/39/27/1050483927.db2.gz QEHIHPGOZWQQLZ-UHFFFAOYSA-N 1 1 311.401 4.423 20 30 DIEDMO C=CCCC[N@H+](C)Cn1c2ccccc2n(C(F)F)c1=S ZINC000736590097 1050483936 /nfs/dbraw/zinc/48/39/36/1050483936.db2.gz QEHIHPGOZWQQLZ-UHFFFAOYSA-N 1 1 311.401 4.423 20 30 DIEDMO CCCCCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001273352675 1050507187 /nfs/dbraw/zinc/50/71/87/1050507187.db2.gz WKTAPOGROKJLTJ-MSOLQXFVSA-N 1 1 308.510 4.070 20 30 DIEDMO Cc1csc(C2([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CCC2)n1 ZINC000594922235 1050563207 /nfs/dbraw/zinc/56/32/07/1050563207.db2.gz FJZOAIGDQSMTND-UHFFFAOYSA-N 1 1 323.465 4.176 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594923757 1050563923 /nfs/dbraw/zinc/56/39/23/1050563923.db2.gz JMLMMVNUJXXOKT-CYBMUJFWSA-N 1 1 311.454 4.111 20 30 DIEDMO CCC(CC)c1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)on1 ZINC000594930147 1050565721 /nfs/dbraw/zinc/56/57/21/1050565721.db2.gz SPZQPKVUBPXCTE-UHFFFAOYSA-N 1 1 323.440 4.423 20 30 DIEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929691 1050566834 /nfs/dbraw/zinc/56/68/34/1050566834.db2.gz NHQVNRUMEVIXKY-AWEZNQCLSA-N 1 1 324.399 4.240 20 30 DIEDMO N#CC1(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CCCCC1 ZINC000594980806 1050587113 /nfs/dbraw/zinc/58/71/13/1050587113.db2.gz BKFADXQFKBZNDU-UHFFFAOYSA-N 1 1 303.793 4.045 20 30 DIEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CCCCC1 ZINC000594980828 1050589019 /nfs/dbraw/zinc/58/90/19/1050589019.db2.gz BRFGICQSPAJIDQ-UHFFFAOYSA-N 1 1 311.454 4.374 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1sc2nc(C)nc(C)c2c1C ZINC000787308579 1050589639 /nfs/dbraw/zinc/58/96/39/1050589639.db2.gz DDEMRDZSFURYAA-CQSZACIVSA-N 1 1 301.459 4.157 20 30 DIEDMO Cc1ccccc1COc1c(C)cc(C[NH2+]CCC#N)cc1C ZINC000787300572 1050589857 /nfs/dbraw/zinc/58/98/57/1050589857.db2.gz QTYLKOYYUYBSFE-UHFFFAOYSA-N 1 1 308.425 4.194 20 30 DIEDMO Cc1cccc(COc2c(C)cc(C[NH2+]CCC#N)cc2C)c1 ZINC000787300664 1050589938 /nfs/dbraw/zinc/58/99/38/1050589938.db2.gz RQLLMBPNSASQPM-UHFFFAOYSA-N 1 1 308.425 4.194 20 30 DIEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OCC ZINC000594995355 1050591354 /nfs/dbraw/zinc/59/13/54/1050591354.db2.gz OQMCMYKVSLHSGF-UHFFFAOYSA-N 1 1 316.445 4.048 20 30 DIEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3nccs3)c2)s1 ZINC000740012137 1050597076 /nfs/dbraw/zinc/59/70/76/1050597076.db2.gz YDYJJUDKRYCJLT-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO CC[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079646 1050610387 /nfs/dbraw/zinc/61/03/87/1050610387.db2.gz GDHFAPUAPVYXOK-ICSRJNTNSA-N 1 1 311.473 4.006 20 30 DIEDMO CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000595079646 1050610389 /nfs/dbraw/zinc/61/03/89/1050610389.db2.gz GDHFAPUAPVYXOK-ICSRJNTNSA-N 1 1 311.473 4.006 20 30 DIEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cccc1[N+](=O)[O-] ZINC000595092157 1050611398 /nfs/dbraw/zinc/61/13/98/1050611398.db2.gz XZXGFOPQPIUQKN-CQSZACIVSA-N 1 1 301.390 4.028 20 30 DIEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCCC2)cccc1[N+](=O)[O-] ZINC000595092156 1050611726 /nfs/dbraw/zinc/61/17/26/1050611726.db2.gz XZXGFOPQPIUQKN-AWEZNQCLSA-N 1 1 301.390 4.028 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([NH2+]CC1(C#N)CCCCC1)CCC2 ZINC000595092035 1050611856 /nfs/dbraw/zinc/61/18/56/1050611856.db2.gz VEVRHKUQSRZSNL-ZDUSSCGKSA-N 1 1 303.475 4.147 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(C2CCCC2)c1 ZINC000595091999 1050611971 /nfs/dbraw/zinc/61/19/71/1050611971.db2.gz UHYRVXYPPOHMBI-OAHLLOKOSA-N 1 1 300.450 4.123 20 30 DIEDMO CCCCCCCCCC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761104152 1050621637 /nfs/dbraw/zinc/62/16/37/1050621637.db2.gz BJFSDDAKEDMMAV-UHFFFAOYSA-N 1 1 314.424 4.172 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761104152 1050621643 /nfs/dbraw/zinc/62/16/43/1050621643.db2.gz BJFSDDAKEDMMAV-UHFFFAOYSA-N 1 1 314.424 4.172 20 30 DIEDMO CCCCCCCC[N@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000740875243 1050634567 /nfs/dbraw/zinc/63/45/67/1050634567.db2.gz NMTVMROWDZXICW-UHFFFAOYSA-N 1 1 302.462 4.364 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCCC(C)C)C2 ZINC001170080880 1050643768 /nfs/dbraw/zinc/64/37/68/1050643768.db2.gz AOAWTYUBURPAPN-CEXWTWQISA-N 1 1 309.494 4.027 20 30 DIEDMO Cc1nc2ccccc2n1CCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623881 1050652711 /nfs/dbraw/zinc/65/27/11/1050652711.db2.gz XPPJEXVHMAGNPM-SFHVURJKSA-N 1 1 324.472 4.141 20 30 DIEDMO C[C@@H](c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1)C(F)(F)F ZINC000595623975 1050652981 /nfs/dbraw/zinc/65/29/81/1050652981.db2.gz ZUTGHANFRBJMLZ-UONOGXRCSA-N 1 1 310.363 4.478 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000595615834 1050657857 /nfs/dbraw/zinc/65/78/57/1050657857.db2.gz NZAGPNSCFWGTNZ-QGZVFWFLSA-N 1 1 315.420 4.351 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000595612037 1050658843 /nfs/dbraw/zinc/65/88/43/1050658843.db2.gz RUTGBBNHGUFWGI-CYBMUJFWSA-N 1 1 315.804 4.121 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)C1 ZINC000595612037 1050658845 /nfs/dbraw/zinc/65/88/45/1050658845.db2.gz RUTGBBNHGUFWGI-CYBMUJFWSA-N 1 1 315.804 4.121 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(C(F)(F)F)c1 ZINC000595761707 1050665935 /nfs/dbraw/zinc/66/59/35/1050665935.db2.gz GDLJPWUABSGWCE-GFCCVEGCSA-N 1 1 314.326 4.149 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1F ZINC000595753636 1050668187 /nfs/dbraw/zinc/66/81/87/1050668187.db2.gz QFAHVHKWGMUKEP-MRXNPFEDSA-N 1 1 304.409 4.301 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1F ZINC000595753631 1050668333 /nfs/dbraw/zinc/66/83/33/1050668333.db2.gz QFAHVHKWGMUKEP-INIZCTEOSA-N 1 1 304.409 4.301 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCC[C@@H]2CC2CCC2)CCOCC1 ZINC000595869379 1050675576 /nfs/dbraw/zinc/67/55/76/1050675576.db2.gz ASSTUJOCKQPATJ-GOSISDBHSA-N 1 1 304.478 4.132 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001171221401 1050711541 /nfs/dbraw/zinc/71/15/41/1050711541.db2.gz MIPCIKFVIUTDHF-CRAIPNDOSA-N 1 1 308.400 4.118 20 30 DIEDMO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000741585234 1050714435 /nfs/dbraw/zinc/71/44/35/1050714435.db2.gz PAJNCXPJKIGTHK-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221894 1050714649 /nfs/dbraw/zinc/71/46/49/1050714649.db2.gz WTQURAXGIINGMU-OXJNMPFZSA-N 1 1 320.436 4.335 20 30 DIEDMO Cc1cc2cc(Nc3sc4c(c3C#N)CC[N@H+](C)C4)ccc2[nH]1 ZINC001213784782 1050739657 /nfs/dbraw/zinc/73/96/57/1050739657.db2.gz DPPGKGSXQNNYQX-UHFFFAOYSA-N 1 1 322.437 4.141 20 30 DIEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793861 1050742353 /nfs/dbraw/zinc/74/23/53/1050742353.db2.gz BZCHSADIFURZIQ-ZIAGYGMSSA-N 1 1 306.837 4.253 20 30 DIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788797956 1050745648 /nfs/dbraw/zinc/74/56/48/1050745648.db2.gz ZUYFQTNILPURFV-QZTJIDSGSA-N 1 1 324.811 4.060 20 30 DIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000788797958 1050749023 /nfs/dbraw/zinc/74/90/23/1050749023.db2.gz ZUYFQTNILPURFV-ZWKOTPCHSA-N 1 1 324.811 4.060 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846846439 1050769980 /nfs/dbraw/zinc/76/99/80/1050769980.db2.gz FZGCFQZWVBAYLR-OAHLLOKOSA-N 1 1 303.768 4.009 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1cnc(Cl)c(F)c1)c1ccccc1 ZINC000846846438 1050770975 /nfs/dbraw/zinc/77/09/75/1050770975.db2.gz FZGCFQZWVBAYLR-HNNXBMFYSA-N 1 1 303.768 4.009 20 30 DIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025832 1050796106 /nfs/dbraw/zinc/79/61/06/1050796106.db2.gz DUHWEMVTFKAROS-HNNXBMFYSA-N 1 1 302.487 4.205 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1C ZINC000596993464 1050797818 /nfs/dbraw/zinc/79/78/18/1050797818.db2.gz PYNQIQVSZYNOSB-UHFFFAOYSA-N 1 1 320.436 4.191 20 30 DIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027404 1050798285 /nfs/dbraw/zinc/79/82/85/1050798285.db2.gz VGSZMHYVMNYDEO-HXUWFJFHSA-N 1 1 319.452 4.307 20 30 DIEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000597131606 1050812042 /nfs/dbraw/zinc/81/20/42/1050812042.db2.gz BTQXFOUBNJGLRM-GOSISDBHSA-N 1 1 312.457 4.021 20 30 DIEDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000060469669 1050816042 /nfs/dbraw/zinc/81/60/42/1050816042.db2.gz HCAVTYFMGFEYQW-HNNXBMFYSA-N 1 1 323.396 4.358 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175590 1050817597 /nfs/dbraw/zinc/81/75/97/1050817597.db2.gz BPSXIYKZYUPXCY-QKXCFHHRSA-N 1 1 320.383 4.317 20 30 DIEDMO Cc1cc([C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)c(O)cc1Cl ZINC000597222567 1050826181 /nfs/dbraw/zinc/82/61/81/1050826181.db2.gz FSCHJOFIRFPIFU-AWEZNQCLSA-N 1 1 320.864 4.473 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCCCO4)C3)cc2)CC1 ZINC000597225215 1050829894 /nfs/dbraw/zinc/82/98/94/1050829894.db2.gz PYAWBQVLXKDBIG-AZUAARDMSA-N 1 1 324.468 4.023 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC001160999929 1050846911 /nfs/dbraw/zinc/84/69/11/1050846911.db2.gz DQBVPYZRQQRRKT-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000772986846 1050925625 /nfs/dbraw/zinc/92/56/25/1050925625.db2.gz DZCVLKZUILIQDF-ZDUSSCGKSA-N 1 1 317.791 4.342 20 30 DIEDMO CCCCCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000742789644 1050936519 /nfs/dbraw/zinc/93/65/19/1050936519.db2.gz BJWUBQQKSWYESC-IBGZPJMESA-N 1 1 316.489 4.080 20 30 DIEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000773003796 1051017998 /nfs/dbraw/zinc/01/79/98/1051017998.db2.gz HCAAANNCBXHLIH-LBPRGKRZSA-N 1 1 316.626 4.005 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)c(F)c1 ZINC000773029446 1051028485 /nfs/dbraw/zinc/02/84/85/1051028485.db2.gz FRSQKJVERCWMTA-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(OC(F)F)cc[nH+]1 ZINC001171375932 1051041278 /nfs/dbraw/zinc/04/12/78/1051041278.db2.gz JAFCPZNQMZSNOI-GFCCVEGCSA-N 1 1 320.339 4.421 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743858150 1051078678 /nfs/dbraw/zinc/07/86/78/1051078678.db2.gz YQSWNFNTUUTSCQ-YWZLYKJASA-N 1 1 324.399 4.311 20 30 DIEDMO C=C(Br)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000743859843 1051080380 /nfs/dbraw/zinc/08/03/80/1051080380.db2.gz KDGUJYCDMDMDQF-ZDUSSCGKSA-N 1 1 312.276 4.009 20 30 DIEDMO C=C(Br)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000743859843 1051080388 /nfs/dbraw/zinc/08/03/88/1051080388.db2.gz KDGUJYCDMDMDQF-ZDUSSCGKSA-N 1 1 312.276 4.009 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743842827 1051082710 /nfs/dbraw/zinc/08/27/10/1051082710.db2.gz MEHZAGPOLHUWQR-IBGZPJMESA-N 1 1 315.844 4.104 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000792221775 1051126752 /nfs/dbraw/zinc/12/67/52/1051126752.db2.gz OKTFBNFTLQCUMF-KRWDZBQOSA-N 1 1 318.509 4.154 20 30 DIEDMO C#CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CCCCC1 ZINC000744213936 1051132433 /nfs/dbraw/zinc/13/24/33/1051132433.db2.gz WIPJAXKELOAHQV-UHFFFAOYSA-N 1 1 312.388 4.249 20 30 DIEDMO CCCCCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000792471260 1051138804 /nfs/dbraw/zinc/13/88/04/1051138804.db2.gz RBNWOTUXJHZIOP-OAHLLOKOSA-N 1 1 324.490 4.427 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000792471260 1051138809 /nfs/dbraw/zinc/13/88/09/1051138809.db2.gz RBNWOTUXJHZIOP-OAHLLOKOSA-N 1 1 324.490 4.427 20 30 DIEDMO C#CC[C@H]1CCC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001171488979 1051143507 /nfs/dbraw/zinc/14/35/07/1051143507.db2.gz BNADXGQKMJERKW-AWEZNQCLSA-N 1 1 314.429 4.185 20 30 DIEDMO Cc1[nH+]c2ccc(NCc3ccc(C#N)s3)cc2n1C(C)C ZINC001170203677 1051155905 /nfs/dbraw/zinc/15/59/05/1051155905.db2.gz ZMRPXZLSBSWAOJ-UHFFFAOYSA-N 1 1 310.426 4.471 20 30 DIEDMO CC[C@H]1C[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231375 1051158222 /nfs/dbraw/zinc/15/82/22/1051158222.db2.gz AZJWUUWEUYPGQO-IRXDYDNUSA-N 1 1 306.837 4.013 20 30 DIEDMO CC[C@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231375 1051158233 /nfs/dbraw/zinc/15/82/33/1051158233.db2.gz AZJWUUWEUYPGQO-IRXDYDNUSA-N 1 1 306.837 4.013 20 30 DIEDMO C[NH+]1C(C)(C)CC(NC(C)(C)c2ccc(C#N)cc2)CC1(C)C ZINC001171619554 1051179052 /nfs/dbraw/zinc/17/90/52/1051179052.db2.gz PCGYGNHVTADAQJ-UHFFFAOYSA-N 1 1 313.489 4.034 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001170378474 1051198816 /nfs/dbraw/zinc/19/88/16/1051198816.db2.gz CQVBTOFWOQQXKE-CBNMVNINSA-N 1 1 324.468 4.036 20 30 DIEDMO CC[N@@H+](Cc1ccncc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375609 1051199716 /nfs/dbraw/zinc/19/97/16/1051199716.db2.gz AINIOJVHLQFXRU-UHFFFAOYSA-N 1 1 319.452 4.308 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001171841342 1051229717 /nfs/dbraw/zinc/22/97/17/1051229717.db2.gz NHPGFKQQCHPAQT-CQSZACIVSA-N 1 1 313.363 4.372 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC2(CCCCC2)CC1 ZINC001171835076 1051230031 /nfs/dbraw/zinc/23/00/31/1051230031.db2.gz SYFZXBZESPYZBL-UHFFFAOYSA-N 1 1 313.401 4.013 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171857552 1051232482 /nfs/dbraw/zinc/23/24/82/1051232482.db2.gz HJRXHJBJPJIULY-MRXNPFEDSA-N 1 1 322.493 4.207 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171985908 1051273220 /nfs/dbraw/zinc/27/32/20/1051273220.db2.gz DFRDIMJNHVAWII-LJQANCHMSA-N 1 1 300.490 4.328 20 30 DIEDMO C=CCN(CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172075540 1051280521 /nfs/dbraw/zinc/28/05/21/1051280521.db2.gz RNOJXJPLHNAHGV-WKCHPHFGSA-N 1 1 310.485 4.246 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172075540 1051280531 /nfs/dbraw/zinc/28/05/31/1051280531.db2.gz RNOJXJPLHNAHGV-WKCHPHFGSA-N 1 1 310.485 4.246 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172103797 1051295972 /nfs/dbraw/zinc/29/59/72/1051295972.db2.gz YSEHZZCNNNHHEA-FVQHAEBGSA-N 1 1 322.493 4.205 20 30 DIEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001172121519 1051304802 /nfs/dbraw/zinc/30/48/02/1051304802.db2.gz KGTOPARIUYRUEO-ACDBMABISA-N 1 1 317.521 4.330 20 30 DIEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001172121519 1051304808 /nfs/dbraw/zinc/30/48/08/1051304808.db2.gz KGTOPARIUYRUEO-ACDBMABISA-N 1 1 317.521 4.330 20 30 DIEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001172121519 1051304813 /nfs/dbraw/zinc/30/48/13/1051304813.db2.gz KGTOPARIUYRUEO-ACDBMABISA-N 1 1 317.521 4.330 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000793607707 1051324612 /nfs/dbraw/zinc/32/46/12/1051324612.db2.gz BYBKFKYEASLLQV-MRXNPFEDSA-N 1 1 308.425 4.345 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cccc(Cl)c2C1 ZINC001172309798 1051335701 /nfs/dbraw/zinc/33/57/01/1051335701.db2.gz CAGUTABPSOOVCW-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001172311686 1051338027 /nfs/dbraw/zinc/33/80/27/1051338027.db2.gz VXKMJEXHOLEJHX-QGZVFWFLSA-N 1 1 306.453 4.442 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1Cl ZINC001172318387 1051339187 /nfs/dbraw/zinc/33/91/87/1051339187.db2.gz FOOIVWUCEOMHCD-OAHLLOKOSA-N 1 1 312.844 4.317 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172318792 1051339569 /nfs/dbraw/zinc/33/95/69/1051339569.db2.gz IUHWWACXZODTSQ-HNAYVOBHSA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001172319558 1051340023 /nfs/dbraw/zinc/34/00/23/1051340023.db2.gz OQWGMHNYNCFVGA-HNAYVOBHSA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001172320538 1051341728 /nfs/dbraw/zinc/34/17/28/1051341728.db2.gz VOHIGQQMTOZALF-JXFKEZNVSA-N 1 1 322.477 4.279 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001172355306 1051370060 /nfs/dbraw/zinc/37/00/60/1051370060.db2.gz NSQRMKSLUZKLES-LJQANCHMSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001172357926 1051371648 /nfs/dbraw/zinc/37/16/48/1051371648.db2.gz NASJBLSORNEGPK-HUUCEWRRSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001172357927 1051372907 /nfs/dbraw/zinc/37/29/07/1051372907.db2.gz NASJBLSORNEGPK-LSDHHAIUSA-N 1 1 309.416 4.372 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000794397614 1051373577 /nfs/dbraw/zinc/37/35/77/1051373577.db2.gz DMDSTSIVHWSNHV-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001172506697 1051424371 /nfs/dbraw/zinc/42/43/71/1051424371.db2.gz ZMPMQCDFVLEGES-STQMWFEESA-N 1 1 321.262 4.278 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001172495035 1051419018 /nfs/dbraw/zinc/41/90/18/1051419018.db2.gz MCPJZQDVKZFACK-HOJAQTOUSA-N 1 1 312.457 4.107 20 30 DIEDMO CC[N@@H+](Cc1ccc(Br)cc1)[C@H](C)CCCC#N ZINC001172501769 1051420178 /nfs/dbraw/zinc/42/01/78/1051420178.db2.gz RPXGWFUPRFHFLM-CYBMUJFWSA-N 1 1 309.251 4.353 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001172499322 1051420986 /nfs/dbraw/zinc/42/09/86/1051420986.db2.gz CWYLHOJUGARPIJ-PBHICJAKSA-N 1 1 306.837 4.266 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001172503564 1051422815 /nfs/dbraw/zinc/42/28/15/1051422815.db2.gz AZJCKSFDVQNIOX-MAUKXSAKSA-N 1 1 320.864 4.403 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172505484 1051425221 /nfs/dbraw/zinc/42/52/21/1051425221.db2.gz NZCOEYGQTIFQKK-AEFFLSMTSA-N 1 1 310.482 4.090 20 30 DIEDMO C[C@@H](CCCC#N)[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001172510059 1051426744 /nfs/dbraw/zinc/42/67/44/1051426744.db2.gz UYLDLEFEXIHSDI-SFHVURJKSA-N 1 1 302.462 4.124 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001172510058 1051427018 /nfs/dbraw/zinc/42/70/18/1051427018.db2.gz UYLDLEFEXIHSDI-GOSISDBHSA-N 1 1 302.462 4.124 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172512082 1051428754 /nfs/dbraw/zinc/42/87/54/1051428754.db2.gz YNSVRPJRRIMIGS-GBESFXJTSA-N 1 1 322.537 4.458 20 30 DIEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172650790 1051470418 /nfs/dbraw/zinc/47/04/18/1051470418.db2.gz OBJKWBMWWHKXRG-JKSUJKDBSA-N 1 1 310.482 4.063 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001168957870 1051478937 /nfs/dbraw/zinc/47/89/37/1051478937.db2.gz JPJSNBBMLMOWLK-IBGZPJMESA-N 1 1 306.409 4.294 20 30 DIEDMO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cncc(C#N)c2)cc1 ZINC001168968932 1051480627 /nfs/dbraw/zinc/48/06/27/1051480627.db2.gz PWFXXYNZXMEZJQ-MRXNPFEDSA-N 1 1 319.330 4.045 20 30 DIEDMO Cc1cc(F)cc(C)c1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001215962917 1051487175 /nfs/dbraw/zinc/48/71/75/1051487175.db2.gz NWHHJIYFYZGYRE-UHFFFAOYSA-N 1 1 315.417 4.107 20 30 DIEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001169069243 1051506494 /nfs/dbraw/zinc/50/64/94/1051506494.db2.gz FORHSOWOKFZFDN-OAQYLSRUSA-N 1 1 321.468 4.455 20 30 DIEDMO CC(C)C[C@H](Cc1ccccc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001169069243 1051506507 /nfs/dbraw/zinc/50/65/07/1051506507.db2.gz FORHSOWOKFZFDN-OAQYLSRUSA-N 1 1 321.468 4.455 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790741 1051508160 /nfs/dbraw/zinc/50/81/60/1051508160.db2.gz DOGDCQKDGWRNKV-RTBURBONSA-N 1 1 315.457 4.187 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]2C ZINC001169162021 1051539717 /nfs/dbraw/zinc/53/97/17/1051539717.db2.gz AOUBTOCGQPFVQL-HZPDHXFCSA-N 1 1 320.436 4.383 20 30 DIEDMO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172853544 1051540016 /nfs/dbraw/zinc/54/00/16/1051540016.db2.gz MRKUQAOGBNCHOL-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172870481 1051553909 /nfs/dbraw/zinc/55/39/09/1051553909.db2.gz ZGWQNEKIXSVKQB-BHTHQVBYSA-N 1 1 306.812 4.177 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921817 1051572160 /nfs/dbraw/zinc/57/21/60/1051572160.db2.gz UHYKJMPMEKDKIC-KRWDZBQOSA-N 1 1 302.418 4.130 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921819 1051572675 /nfs/dbraw/zinc/57/26/75/1051572675.db2.gz UHYKJMPMEKDKIC-QGZVFWFLSA-N 1 1 302.418 4.130 20 30 DIEDMO CO[C@H]1CCC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946487 1051580288 /nfs/dbraw/zinc/58/02/88/1051580288.db2.gz UJUWEQFNHGVMBN-SJORKVTESA-N 1 1 306.837 4.013 20 30 DIEDMO CO[C@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946487 1051580303 /nfs/dbraw/zinc/58/03/03/1051580303.db2.gz UJUWEQFNHGVMBN-SJORKVTESA-N 1 1 306.837 4.013 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(Nc2cccc(Cl)c2C#N)cc1 ZINC001216127751 1051591448 /nfs/dbraw/zinc/59/14/48/1051591448.db2.gz DRSKVCUSLWWLSQ-UHFFFAOYSA-N 1 1 308.772 4.449 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)C1CCC2(CCOCC2)CC1 ZINC001173042949 1051591918 /nfs/dbraw/zinc/59/19/18/1051591918.db2.gz AOTGOPAORJVXHZ-UHFFFAOYSA-N 1 1 312.457 4.142 20 30 DIEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084562 1051605390 /nfs/dbraw/zinc/60/53/90/1051605390.db2.gz SUNYJBHJABYNSP-ZDUSSCGKSA-N 1 1 314.351 4.142 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480214 1051622709 /nfs/dbraw/zinc/62/27/09/1051622709.db2.gz ALFRDLNHRURUOJ-FEAKQIBJSA-N 1 1 324.346 4.067 20 30 DIEDMO CCc1ccc(C[C@H](C)[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001173253219 1051655551 /nfs/dbraw/zinc/65/55/51/1051655551.db2.gz RDWRFJLBLZAGPV-INIZCTEOSA-N 1 1 304.437 4.110 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001169686882 1051671088 /nfs/dbraw/zinc/67/10/88/1051671088.db2.gz NYJVPBVUJUBJKD-IBGZPJMESA-N 1 1 311.510 4.397 20 30 DIEDMO CCCCCCCC[C@@H](CCC)n1c(C)ncc(C[NH3+])c1=N ZINC001173308882 1051681975 /nfs/dbraw/zinc/68/19/75/1051681975.db2.gz DDMFFZKRJSHPSO-QGZVFWFLSA-N 1 1 306.498 4.221 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001173310864 1051684151 /nfs/dbraw/zinc/68/41/51/1051684151.db2.gz ZISUDVFOCMMBEY-IEBWSBKVSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCCC[C@H](CCC)[N@@H+]1CCn2cnnc2C1 ZINC001173285177 1051688988 /nfs/dbraw/zinc/68/89/88/1051688988.db2.gz PKKSDBSIBDOWJF-KRWDZBQOSA-N 1 1 306.498 4.403 20 30 DIEDMO CCCCCCCCC[C@H](CCC)[N@H+]1CCn2cnnc2C1 ZINC001173285177 1051688994 /nfs/dbraw/zinc/68/89/94/1051688994.db2.gz PKKSDBSIBDOWJF-KRWDZBQOSA-N 1 1 306.498 4.403 20 30 DIEDMO C=CCOC1CCC([N@@H+](CC)Cc2ccc(OC)cc2)CC1 ZINC001173322847 1051692976 /nfs/dbraw/zinc/69/29/76/1051692976.db2.gz NFSRTOWBBIAWSS-UHFFFAOYSA-N 1 1 303.446 4.031 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173322118 1051693011 /nfs/dbraw/zinc/69/30/11/1051693011.db2.gz VIDBENAHAUZSPW-CTWPCTMYSA-N 1 1 303.421 4.476 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC001173326927 1051694399 /nfs/dbraw/zinc/69/43/99/1051694399.db2.gz VUQBPQJPPFGMQI-UHFFFAOYSA-N 1 1 305.849 4.212 20 30 DIEDMO CC(C)CC[C@@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173329517 1051694526 /nfs/dbraw/zinc/69/45/26/1051694526.db2.gz FSZJGKGIABFFKP-OFLPRAFFSA-N 1 1 322.493 4.195 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC001173326539 1051694824 /nfs/dbraw/zinc/69/48/24/1051694824.db2.gz JPHQQTYCPOXXQH-UHFFFAOYSA-N 1 1 305.849 4.212 20 30 DIEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)C1CCC(CC#N)CC1 ZINC001173330823 1051695035 /nfs/dbraw/zinc/69/50/35/1051695035.db2.gz FMIHMSAABXBSAV-UHFFFAOYSA-N 1 1 311.351 4.005 20 30 DIEDMO C=CCOC1CCC([N@@H+](C)CCc2ccccc2Cl)CC1 ZINC001173327789 1051695522 /nfs/dbraw/zinc/69/55/22/1051695522.db2.gz RWMSNUUPRVRNCS-UHFFFAOYSA-N 1 1 307.865 4.328 20 30 DIEDMO N#CCC1CCC([N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC001173331002 1051697111 /nfs/dbraw/zinc/69/71/11/1051697111.db2.gz JIEZIYAOASVEAN-XTXLOEGASA-N 1 1 319.452 4.366 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844142 1051711726 /nfs/dbraw/zinc/71/17/26/1051711726.db2.gz KUXRAGRIDLZWOE-QGZVFWFLSA-N 1 1 319.420 4.179 20 30 DIEDMO COC(=O)CCCC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001173455724 1051729586 /nfs/dbraw/zinc/72/95/86/1051729586.db2.gz UGCIDEUQHOUNPB-KRWDZBQOSA-N 1 1 322.493 4.437 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[Si](C)(C)c1ccccc1 ZINC001169952989 1051735905 /nfs/dbraw/zinc/73/59/05/1051735905.db2.gz NRHXANMIFVZWSB-UHFFFAOYSA-N 1 1 309.529 4.220 20 30 DIEDMO C#CCCC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000766896620 1051738901 /nfs/dbraw/zinc/73/89/01/1051738901.db2.gz VLGUMZZZKRYUTA-AWEZNQCLSA-N 1 1 313.363 4.128 20 30 DIEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000766895152 1051739070 /nfs/dbraw/zinc/73/90/70/1051739070.db2.gz JOHZRAOEADNCHL-HNNXBMFYSA-N 1 1 322.246 4.008 20 30 DIEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC000766903349 1051741462 /nfs/dbraw/zinc/74/14/62/1051741462.db2.gz CWAVCAQYSGVBPJ-OAHLLOKOSA-N 1 1 307.869 4.051 20 30 DIEDMO C#CCC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000767070853 1051754699 /nfs/dbraw/zinc/75/46/99/1051754699.db2.gz CRJOWIBLLRUALD-INIZCTEOSA-N 1 1 312.457 4.049 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)c1 ZINC001173601002 1051757199 /nfs/dbraw/zinc/75/71/99/1051757199.db2.gz NGQVAPQZIKVNAQ-PGYGNJIDSA-N 1 1 312.457 4.347 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173599384 1051757640 /nfs/dbraw/zinc/75/76/40/1051757640.db2.gz KSCDYKZWDPEKJR-LXPRWKDFSA-N 1 1 318.461 4.388 20 30 DIEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000753987777 1051763902 /nfs/dbraw/zinc/76/39/02/1051763902.db2.gz LTDWORNWXYDOIB-AWEZNQCLSA-N 1 1 300.446 4.122 20 30 DIEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000753987777 1051763911 /nfs/dbraw/zinc/76/39/11/1051763911.db2.gz LTDWORNWXYDOIB-AWEZNQCLSA-N 1 1 300.446 4.122 20 30 DIEDMO CCCCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000806332376 1051788349 /nfs/dbraw/zinc/78/83/49/1051788349.db2.gz NAACLILWHKGTPT-JWTNVVGKSA-N 1 1 323.525 4.004 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)c(F)c1 ZINC000187371880 1051843211 /nfs/dbraw/zinc/84/32/11/1051843211.db2.gz YRLVEYCFPKROOF-GOSISDBHSA-N 1 1 313.351 4.020 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(F)c(F)c1 ZINC000187371861 1051843689 /nfs/dbraw/zinc/84/36/89/1051843689.db2.gz YRLVEYCFPKROOF-SFHVURJKSA-N 1 1 313.351 4.020 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494287846 1051871534 /nfs/dbraw/zinc/87/15/34/1051871534.db2.gz MWHWYDBEDUNSMQ-WJDWOHSUSA-N 1 1 306.409 4.102 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000768153845 1051889259 /nfs/dbraw/zinc/88/92/59/1051889259.db2.gz MPYLLENPLMKCSV-UHFFFAOYSA-N 1 1 302.315 4.216 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000768153845 1051889264 /nfs/dbraw/zinc/88/92/64/1051889264.db2.gz MPYLLENPLMKCSV-UHFFFAOYSA-N 1 1 302.315 4.216 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1 ZINC000768194117 1051899808 /nfs/dbraw/zinc/89/98/08/1051899808.db2.gz ZZTNBFMPGLAJRN-HRAATJIYSA-N 1 1 320.436 4.487 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000768230555 1051907161 /nfs/dbraw/zinc/90/71/61/1051907161.db2.gz RMWPANUOKFHNLF-UHFFFAOYSA-N 1 1 319.452 4.201 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(N(C)CCC#N)cc2)C2CC2)o1 ZINC000768258693 1051910846 /nfs/dbraw/zinc/91/08/46/1051910846.db2.gz VYXGHSXNYMWUDS-UHFFFAOYSA-N 1 1 323.440 4.103 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)Cc1ccccc1C ZINC000768335251 1051918239 /nfs/dbraw/zinc/91/82/39/1051918239.db2.gz KPXRYVLVTXPIEM-UHFFFAOYSA-N 1 1 321.468 4.367 20 30 DIEDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768334943 1051918363 /nfs/dbraw/zinc/91/83/63/1051918363.db2.gz RYKKSDDVMFPIDH-HNNXBMFYSA-N 1 1 314.454 4.450 20 30 DIEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(Cl)c1 ZINC001174045103 1051963660 /nfs/dbraw/zinc/96/36/60/1051963660.db2.gz YLEOQTQJQHTAIK-UHFFFAOYSA-N 1 1 317.845 4.313 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000768852570 1051968788 /nfs/dbraw/zinc/96/87/88/1051968788.db2.gz VIALLOPNKNXYOI-JSJNYSNDSA-N 1 1 312.457 4.378 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](CC)[C@H](C)c2cccc(O)c2)cc1 ZINC000768872184 1051974938 /nfs/dbraw/zinc/97/49/38/1051974938.db2.gz FMSDOWGBLQCFAI-QGZVFWFLSA-N 1 1 323.436 4.377 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000769039443 1051990535 /nfs/dbraw/zinc/99/05/35/1051990535.db2.gz VUNBBLSPNDCQHM-FUUYNRHESA-N 1 1 323.484 4.047 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000769106645 1051996635 /nfs/dbraw/zinc/99/66/35/1051996635.db2.gz VTVMJKDYVRULHW-QRWLVFNGSA-N 1 1 322.408 4.020 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769110356 1051998576 /nfs/dbraw/zinc/99/85/76/1051998576.db2.gz CHGLXORLUSFRTC-SFHVURJKSA-N 1 1 320.436 4.208 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc2ccccc21 ZINC000769146387 1052002258 /nfs/dbraw/zinc/00/22/58/1052002258.db2.gz UKITZVNPENYVQB-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cncc2ccccc21 ZINC000769146387 1052002270 /nfs/dbraw/zinc/00/22/70/1052002270.db2.gz UKITZVNPENYVQB-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000769337595 1052026095 /nfs/dbraw/zinc/02/60/95/1052026095.db2.gz FVDMQISNUSTINZ-CRAIPNDOSA-N 1 1 324.399 4.106 20 30 DIEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769341466 1052027574 /nfs/dbraw/zinc/02/75/74/1052027574.db2.gz ZWCBKBPTECHRJO-XHSDSOJGSA-N 1 1 300.446 4.376 20 30 DIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769353282 1052031108 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C=CCc1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001233598327 1054306836 /nfs/dbraw/zinc/30/68/36/1054306836.db2.gz XVGVKCAQIOVKIZ-IBGZPJMESA-N 1 1 304.393 4.112 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001440205169 1054340294 /nfs/dbraw/zinc/34/02/94/1054340294.db2.gz VYPFEGDLPFELPF-ZSYWTGECSA-N 1 1 322.537 4.220 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233865836 1054377611 /nfs/dbraw/zinc/37/76/11/1054377611.db2.gz KFBAIUGDBHOSAN-IBGZPJMESA-N 1 1 306.409 4.088 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001342227050 1054419009 /nfs/dbraw/zinc/41/90/09/1054419009.db2.gz ABALOYGRQQNPIR-AAEUAGOBSA-N 1 1 300.229 4.331 20 30 DIEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC001342227050 1054419019 /nfs/dbraw/zinc/41/90/19/1054419019.db2.gz ABALOYGRQQNPIR-AAEUAGOBSA-N 1 1 300.229 4.331 20 30 DIEDMO C=CCCC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000172324442 1054423574 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C#CCC(C)(C)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000185660232 1054609664 /nfs/dbraw/zinc/60/96/64/1054609664.db2.gz OTPYBZOGIPRPDC-UHFFFAOYSA-N 1 1 312.457 4.036 20 30 DIEDMO C[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)Cc1cccc(C#N)c1 ZINC001235047670 1054646473 /nfs/dbraw/zinc/64/64/73/1054646473.db2.gz MSKAYSREKCSVMP-UHFFFAOYSA-N 1 1 319.383 4.324 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001450355747 1054646472 /nfs/dbraw/zinc/64/64/72/1054646472.db2.gz VMSYIWPFICDNRT-SGWGQVFISA-N 1 1 320.521 4.238 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001450406057 1054648160 /nfs/dbraw/zinc/64/81/60/1054648160.db2.gz FDAVLZUZEQZMTF-QGZVFWFLSA-N 1 1 308.510 4.070 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000178755989 1054655961 /nfs/dbraw/zinc/65/59/61/1054655961.db2.gz BLTSRMXUEHGFOJ-IBGZPJMESA-N 1 1 316.408 4.211 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001473365727 1054657280 /nfs/dbraw/zinc/65/72/80/1054657280.db2.gz SRCFNCBBDNUPQE-GFCCVEGCSA-N 1 1 321.262 4.189 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001307683478 1054705812 /nfs/dbraw/zinc/70/58/12/1054705812.db2.gz MFNOKSPIADZJNJ-INIZCTEOSA-N 1 1 322.493 4.064 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000122875898 1054705983 /nfs/dbraw/zinc/70/59/83/1054705983.db2.gz QPVCKABJCVQGAO-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000122875898 1054705994 /nfs/dbraw/zinc/70/59/94/1054705994.db2.gz QPVCKABJCVQGAO-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1OC(F)F ZINC000921504127 1054710674 /nfs/dbraw/zinc/71/06/74/1054710674.db2.gz VWCFOQIWBOPVIE-SNVBAGLBSA-N 1 1 308.353 4.072 20 30 DIEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)[C@H](C)c2ccccc2)CCCC1(C)C ZINC001473432614 1054721757 /nfs/dbraw/zinc/72/17/57/1054721757.db2.gz NVWXIPSPPQZKRH-QRQLOZEOSA-N 1 1 301.474 4.218 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(-c2ccco2)o1)c1ccccc1 ZINC000180049636 1054729294 /nfs/dbraw/zinc/72/92/94/1054729294.db2.gz QMVZNZVVFNVVGQ-OAHLLOKOSA-N 1 1 309.369 4.127 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001235529357 1054736096 /nfs/dbraw/zinc/73/60/96/1054736096.db2.gz ZCAFOHGAWCTOHI-LJQANCHMSA-N 1 1 312.363 4.368 20 30 DIEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001235524212 1054736210 /nfs/dbraw/zinc/73/62/10/1054736210.db2.gz CLLIUFIBVFMUKK-GOSISDBHSA-N 1 1 312.363 4.368 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001235524212 1054736229 /nfs/dbraw/zinc/73/62/29/1054736229.db2.gz CLLIUFIBVFMUKK-GOSISDBHSA-N 1 1 312.363 4.368 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccccc1CC#N ZINC001235522356 1054738473 /nfs/dbraw/zinc/73/84/73/1054738473.db2.gz DMAMKKXGOUMJDW-LJQANCHMSA-N 1 1 306.409 4.098 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)cc(C#N)cc1F ZINC001235657053 1054759741 /nfs/dbraw/zinc/75/97/41/1054759741.db2.gz JQPRTBAPDPYNGH-UHFFFAOYSA-N 1 1 312.363 4.415 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)cc(C#N)cc1F ZINC001235657053 1054759750 /nfs/dbraw/zinc/75/97/50/1054759750.db2.gz JQPRTBAPDPYNGH-UHFFFAOYSA-N 1 1 312.363 4.415 20 30 DIEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c(F)c1 ZINC001235656043 1054760841 /nfs/dbraw/zinc/76/08/41/1054760841.db2.gz AWCSXIHPNFYQIL-INIZCTEOSA-N 1 1 312.363 4.216 20 30 DIEDMO C[N@H+](CCc1ccccc1Cl)Cc1c(F)cc(C#N)cc1F ZINC001235658368 1054763156 /nfs/dbraw/zinc/76/31/56/1054763156.db2.gz KARAIEFCYPRVSV-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1c(F)cc(C#N)cc1F ZINC001235658368 1054763171 /nfs/dbraw/zinc/76/31/71/1054763171.db2.gz KARAIEFCYPRVSV-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2c(c1)CCN2)C1CCCCCCC1 ZINC001235663080 1054764012 /nfs/dbraw/zinc/76/40/12/1054764012.db2.gz HZIRNLWVVNGLJG-UHFFFAOYSA-N 1 1 311.473 4.483 20 30 DIEDMO C=CCC[N@H+](Cc1nc2cc(F)ccc2[nH]1)Cc1ccccc1 ZINC001235698542 1054783103 /nfs/dbraw/zinc/78/31/03/1054783103.db2.gz WDDBUEBDAGJJKY-UHFFFAOYSA-N 1 1 309.388 4.280 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235891851 1054833732 /nfs/dbraw/zinc/83/37/32/1054833732.db2.gz UTLJGWJFZYABEV-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001474595248 1054834852 /nfs/dbraw/zinc/83/48/52/1054834852.db2.gz IRZNJALJDPVOIS-NRSPTQNISA-N 1 1 314.517 4.446 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](CCCCCO)Cc1cccc(C#N)c1 ZINC001236146874 1054968463 /nfs/dbraw/zinc/96/84/63/1054968463.db2.gz BASDPVHVTLRRAQ-GOSISDBHSA-N 1 1 322.452 4.284 20 30 DIEDMO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000185056275 1055086922 /nfs/dbraw/zinc/08/69/22/1055086922.db2.gz HAUCLXDZYZWHQM-AWEZNQCLSA-N 1 1 324.371 4.254 20 30 DIEDMO CC#Cc1cncc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001236473349 1055133858 /nfs/dbraw/zinc/13/38/58/1055133858.db2.gz DTKAJSNIXLTNOX-YADHBBJMSA-N 1 1 314.432 4.273 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000764465232 1055190081 /nfs/dbraw/zinc/19/00/81/1055190081.db2.gz WERGWDQULMJYET-ZWKOTPCHSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCOc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC001236605849 1055203629 /nfs/dbraw/zinc/20/36/29/1055203629.db2.gz VSLHZOQQVJEEKF-FQEVSTJZSA-N 1 1 318.505 4.207 20 30 DIEDMO COc1ccc2sc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2c1 ZINC001236660801 1055218163 /nfs/dbraw/zinc/21/81/63/1055218163.db2.gz GCQPAIINVHDTKY-XMQYKBBCSA-N 1 1 312.438 4.176 20 30 DIEDMO COc1ccc2sc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2c1 ZINC001236667060 1055220369 /nfs/dbraw/zinc/22/03/69/1055220369.db2.gz HYVMOWUKJFXWNS-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC001236756152 1055250490 /nfs/dbraw/zinc/25/04/90/1055250490.db2.gz JWTNVWIGUPNBEQ-UHFFFAOYSA-N 1 1 309.450 4.202 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(C#N)c(Br)c1)C(C)(C)C ZINC001236866599 1055296072 /nfs/dbraw/zinc/29/60/72/1055296072.db2.gz RMFGVSWPKKSAQZ-UHFFFAOYSA-N 1 1 307.235 4.107 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(Br)c1)C1CCCCC1 ZINC001236854160 1055290826 /nfs/dbraw/zinc/29/08/26/1055290826.db2.gz GASJKQXECNRCGM-UHFFFAOYSA-N 1 1 321.262 4.475 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)c(Br)c1)CC(C)C ZINC001236865303 1055294874 /nfs/dbraw/zinc/29/48/74/1055294874.db2.gz BXXDTAISAGPKQK-UHFFFAOYSA-N 1 1 309.251 4.189 20 30 DIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236857457 1055295346 /nfs/dbraw/zinc/29/53/46/1055295346.db2.gz XMTOMLVAOYHIIK-TXEJJXNPSA-N 1 1 307.235 4.084 20 30 DIEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)c(Br)c1 ZINC001236862084 1055296792 /nfs/dbraw/zinc/29/67/92/1055296792.db2.gz ODVBPZIBEKDIEF-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3c(F)cc(F)cc3nc2Cl)C1 ZINC001236883025 1055302490 /nfs/dbraw/zinc/30/24/90/1055302490.db2.gz YDJXQCVJWYXMNM-LLVKDONJSA-N 1 1 320.770 4.012 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3c(F)cc(F)cc3nc2Cl)C1 ZINC001236883025 1055302503 /nfs/dbraw/zinc/30/25/03/1055302503.db2.gz YDJXQCVJWYXMNM-LLVKDONJSA-N 1 1 320.770 4.012 20 30 DIEDMO C=CC[N@H+](C)Cc1cccc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC001237031852 1055347022 /nfs/dbraw/zinc/34/70/22/1055347022.db2.gz ZCSMATHWCRFSOV-UHFFFAOYSA-N 1 1 322.330 4.265 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccnc2c(Cl)cccc12 ZINC001237148156 1055383004 /nfs/dbraw/zinc/38/30/04/1055383004.db2.gz LOZHEOWKDOSPMF-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO CCCCCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001587871103 1055383252 /nfs/dbraw/zinc/38/32/52/1055383252.db2.gz GBRNDLWLKBCXKK-INIZCTEOSA-N 1 1 310.869 4.029 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccnc2c(Cl)cccc12 ZINC001237148156 1055383016 /nfs/dbraw/zinc/38/30/16/1055383016.db2.gz LOZHEOWKDOSPMF-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000765463526 1055397719 /nfs/dbraw/zinc/39/77/19/1055397719.db2.gz LGIKDLRUPPEEJF-CYBMUJFWSA-N 1 1 317.791 4.342 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC001237357501 1055438596 /nfs/dbraw/zinc/43/85/96/1055438596.db2.gz URHNKZSNRIBFKI-UHFFFAOYSA-N 1 1 312.335 4.085 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CCCC1 ZINC001237357501 1055438605 /nfs/dbraw/zinc/43/86/05/1055438605.db2.gz URHNKZSNRIBFKI-UHFFFAOYSA-N 1 1 312.335 4.085 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cccc(F)c1NC(=O)OC(C)(C)C ZINC001237371213 1055441312 /nfs/dbraw/zinc/44/13/12/1055441312.db2.gz JVBHCOCDGVZLAS-UHFFFAOYSA-N 1 1 320.408 4.347 20 30 DIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464577 1055455448 /nfs/dbraw/zinc/45/54/48/1055455448.db2.gz FKXOOFGTZWQFRU-OAHLLOKOSA-N 1 1 315.420 4.169 20 30 DIEDMO CC(C)[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237467451 1055456247 /nfs/dbraw/zinc/45/62/47/1055456247.db2.gz VLRGQGGSQKQXFY-UHFFFAOYSA-N 1 1 317.436 4.461 20 30 DIEDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c2cc(C#N)ccc21 ZINC001237465333 1055456434 /nfs/dbraw/zinc/45/64/34/1055456434.db2.gz IDJOPLWTZIUSPY-GOSISDBHSA-N 1 1 315.420 4.039 20 30 DIEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)c2cc(C#N)ccc21 ZINC001237469847 1055459486 /nfs/dbraw/zinc/45/94/86/1055459486.db2.gz DAGDCJSVEWBBFJ-UHFFFAOYSA-N 1 1 323.827 4.335 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c(F)cccc12 ZINC001237514458 1055464464 /nfs/dbraw/zinc/46/44/64/1055464464.db2.gz GEJNIKONTWXRTC-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C12CC3CC(CC(C3)C1)C2 ZINC001237526975 1055466265 /nfs/dbraw/zinc/46/62/65/1055466265.db2.gz SSMQCNRKQSTRBN-UHFFFAOYSA-N 1 1 316.395 4.237 20 30 DIEDMO N#CCC[N@@H+](Cc1ccn2nccc2c1)C1CCCCCCC1 ZINC001237537345 1055468750 /nfs/dbraw/zinc/46/87/50/1055468750.db2.gz FEGIRQUQAREZIS-UHFFFAOYSA-N 1 1 310.445 4.163 20 30 DIEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c(F)cc1F ZINC001237530024 1055470216 /nfs/dbraw/zinc/47/02/16/1055470216.db2.gz LTOPKHLNGVJGJB-CQSZACIVSA-N 1 1 304.384 4.239 20 30 DIEDMO C[N@@H+](Cc1cn2cc(C#N)ccc2n1)C1CCC(C(C)(C)C)CC1 ZINC001237607764 1055486383 /nfs/dbraw/zinc/48/63/83/1055486383.db2.gz ZDJOVQNQUCBYPI-UHFFFAOYSA-N 1 1 324.472 4.243 20 30 DIEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669497 1055499685 /nfs/dbraw/zinc/49/96/85/1055499685.db2.gz BFNMELAUBULUBD-IBGZPJMESA-N 1 1 312.363 4.367 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669497 1055499694 /nfs/dbraw/zinc/49/96/94/1055499694.db2.gz BFNMELAUBULUBD-IBGZPJMESA-N 1 1 312.363 4.367 20 30 DIEDMO N#CCC1CC[NH+](Cc2c(F)cc(C(F)(F)F)cc2F)CC1 ZINC001237708472 1055510498 /nfs/dbraw/zinc/51/04/98/1055510498.db2.gz PYZITAJYWSVZFP-UHFFFAOYSA-N 1 1 318.289 4.109 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001237770115 1055529644 /nfs/dbraw/zinc/52/96/44/1055529644.db2.gz VLTSVRDPWGSRBV-CYBMUJFWSA-N 1 1 316.857 4.309 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001237770115 1055529656 /nfs/dbraw/zinc/52/96/56/1055529656.db2.gz VLTSVRDPWGSRBV-CYBMUJFWSA-N 1 1 316.857 4.309 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237874088 1055548038 /nfs/dbraw/zinc/54/80/38/1055548038.db2.gz DLMRJGHSQGDBKS-UHFFFAOYSA-N 1 1 303.450 4.421 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(N2CCCCC2)n1)C1CCCCC1 ZINC001238006476 1055580405 /nfs/dbraw/zinc/58/04/05/1055580405.db2.gz JVCZUCDLFHBRCR-UHFFFAOYSA-N 1 1 313.489 4.393 20 30 DIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)cc1Cl ZINC001238086712 1055603914 /nfs/dbraw/zinc/60/39/14/1055603914.db2.gz NNKSPUKHXHPIOA-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)cc1Cl ZINC001238086712 1055603920 /nfs/dbraw/zinc/60/39/20/1055603920.db2.gz NNKSPUKHXHPIOA-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193113 1055617225 /nfs/dbraw/zinc/61/72/25/1055617225.db2.gz YHFJLGOSUHGBRZ-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192400 1055617995 /nfs/dbraw/zinc/61/79/95/1055617995.db2.gz RZBXOCYGSVWBPH-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO N#CC1CC[NH+](Cc2ccc(F)c(OCc3ccccc3)c2)CC1 ZINC001238349938 1055643846 /nfs/dbraw/zinc/64/38/46/1055643846.db2.gz SBRILDOUCUALSQ-UHFFFAOYSA-N 1 1 324.399 4.140 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccccc2)C(C)(C)C)ccc1C#N ZINC001238409227 1055652718 /nfs/dbraw/zinc/65/27/18/1055652718.db2.gz AFTSPQLVMBEBTO-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO COc1cc(C[N@@H+](C)Cc2ccc3ccccc3c2)ccc1C#N ZINC001238413038 1055652746 /nfs/dbraw/zinc/65/27/46/1055652746.db2.gz LPWFGFBEPMVERY-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1OC ZINC001238473031 1055669456 /nfs/dbraw/zinc/66/94/56/1055669456.db2.gz PIVXKQKFDBCFFO-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(F)c1OC ZINC001238473031 1055669459 /nfs/dbraw/zinc/66/94/59/1055669459.db2.gz PIVXKQKFDBCFFO-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO CCCCOc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC001238492652 1055672286 /nfs/dbraw/zinc/67/22/86/1055672286.db2.gz NDNCWBYOSAQBMQ-UHFFFAOYSA-N 1 1 323.440 4.073 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(C3CC3)c1)C2 ZINC001238499666 1055673407 /nfs/dbraw/zinc/67/34/07/1055673407.db2.gz VDFYRFKGQNVILJ-UHFFFAOYSA-N 1 1 306.384 4.133 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)c(C3CC3)c1)C2 ZINC001238499666 1055673409 /nfs/dbraw/zinc/67/34/09/1055673409.db2.gz VDFYRFKGQNVILJ-UHFFFAOYSA-N 1 1 306.384 4.133 20 30 DIEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238637826 1055707775 /nfs/dbraw/zinc/70/77/75/1055707775.db2.gz RRGQGIGEAOTGAQ-SFHVURJKSA-N 1 1 311.816 4.138 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238637826 1055707785 /nfs/dbraw/zinc/70/77/85/1055707785.db2.gz RRGQGIGEAOTGAQ-SFHVURJKSA-N 1 1 311.816 4.138 20 30 DIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238688786 1055722499 /nfs/dbraw/zinc/72/24/99/1055722499.db2.gz DTXQOLCYWZCGIM-SFHVURJKSA-N 1 1 311.816 4.138 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238688786 1055722506 /nfs/dbraw/zinc/72/25/06/1055722506.db2.gz DTXQOLCYWZCGIM-SFHVURJKSA-N 1 1 311.816 4.138 20 30 DIEDMO CC(C)Oc1cc(F)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001238701159 1055725713 /nfs/dbraw/zinc/72/57/13/1055725713.db2.gz XGSDKIVIKAONBC-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1cc(F)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238701159 1055725723 /nfs/dbraw/zinc/72/57/23/1055725723.db2.gz XGSDKIVIKAONBC-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(C)c1OC(C)C ZINC001238752008 1055739166 /nfs/dbraw/zinc/73/91/66/1055739166.db2.gz QYKOSASQYKRJEY-KRWDZBQOSA-N 1 1 300.446 4.216 20 30 DIEDMO Cc1cc(C[NH+]2CC(CC#N)C2)c(OCc2ccccc2)cc1C ZINC001238768802 1055743827 /nfs/dbraw/zinc/74/38/27/1055743827.db2.gz BQMJDGUNUQUGMD-UHFFFAOYSA-N 1 1 320.436 4.228 20 30 DIEDMO CCc1cc(C[N@H+]2CC[C@H](c3cccc(OC)c3)C2)ccc1C#N ZINC001238770251 1055745512 /nfs/dbraw/zinc/74/55/12/1055745512.db2.gz ZRSPACYXROBRTL-FQEVSTJZSA-N 1 1 320.436 4.119 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC001566161926 1055745720 /nfs/dbraw/zinc/74/57/20/1055745720.db2.gz XLHMBQGUKSRHQU-WTQUMQLASA-N 1 1 308.510 4.236 20 30 DIEDMO CCc1cc(C[N@@H+](CC)Cc2ccc(OC)cc2)ccc1C#N ZINC001238767315 1055745721 /nfs/dbraw/zinc/74/57/21/1055745721.db2.gz AGRWLKCKZTXHKM-UHFFFAOYSA-N 1 1 308.425 4.151 20 30 DIEDMO CCc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)ccc1C#N ZINC001238779795 1055750513 /nfs/dbraw/zinc/75/05/13/1055750513.db2.gz YQPKJTURKXEPLM-HNNXBMFYSA-N 1 1 308.425 4.322 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001566428954 1055773199 /nfs/dbraw/zinc/77/31/99/1055773199.db2.gz OWXZASXBMOSGGR-JKGDOXCYSA-N 1 1 308.510 4.236 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996438 1055816114 /nfs/dbraw/zinc/81/61/14/1055816114.db2.gz VUNGXIMOZPIJGP-LJQANCHMSA-N 1 1 307.372 4.082 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001597340523 1055816458 /nfs/dbraw/zinc/81/64/58/1055816458.db2.gz HHYBXWSAVVPWQP-KSZLIROESA-N 1 1 310.526 4.220 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)c(F)c2)cc1 ZINC001239518514 1055926116 /nfs/dbraw/zinc/92/61/16/1055926116.db2.gz LHMVUHMBDXHQRT-GOSISDBHSA-N 1 1 312.388 4.219 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC001615743708 1055933334 /nfs/dbraw/zinc/93/33/34/1055933334.db2.gz DWYVLUWCUMVCLK-UHFFFAOYSA-N 1 1 324.472 4.063 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1cnc(N(C)C)c2ccccc12 ZINC001615743708 1055933348 /nfs/dbraw/zinc/93/33/48/1055933348.db2.gz DWYVLUWCUMVCLK-UHFFFAOYSA-N 1 1 324.472 4.063 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001598296502 1055934718 /nfs/dbraw/zinc/93/47/18/1055934718.db2.gz FYAQNUVCEANENG-CQEYOHBHSA-N 1 1 320.521 4.093 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001620494090 1055955949 /nfs/dbraw/zinc/95/59/49/1055955949.db2.gz VUDOYFJGNPEPGX-NOOVBMIQSA-N 1 1 302.421 4.355 20 30 DIEDMO C=CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001620504272 1055959547 /nfs/dbraw/zinc/95/95/47/1055959547.db2.gz NUGSMHIWPIAKLW-KRWDZBQOSA-N 1 1 311.828 4.079 20 30 DIEDMO C#CC[C@H]1CC[N@H+](CC/C=C\c2ccc(Br)cc2)C1 ZINC001620573672 1055970361 /nfs/dbraw/zinc/97/03/61/1055970361.db2.gz SFXJFLPAEGICIR-UYZDIKGJSA-N 1 1 318.258 4.198 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1coc(-c2cccc(OC)c2)n1 ZINC001620646646 1055977942 /nfs/dbraw/zinc/97/79/42/1055977942.db2.gz JTMCRZWYNRSLQV-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC001620798670 1055994641 /nfs/dbraw/zinc/99/46/41/1055994641.db2.gz RPRZHFWRPSDARK-UHFFFAOYSA-N 1 1 305.780 4.334 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)sc2C)cc1 ZINC000671764781 1056004552 /nfs/dbraw/zinc/00/45/52/1056004552.db2.gz NFERIWMKGRGBAB-LBPRGKRZSA-N 1 1 302.443 4.176 20 30 DIEDMO C#CC[N@H+](C/C(C)=C/c1ccccc1COC)Cc1ccccc1 ZINC001621323532 1056030869 /nfs/dbraw/zinc/03/08/69/1056030869.db2.gz HWCLANCBFUTHCP-XDJHFCHBSA-N 1 1 319.448 4.372 20 30 DIEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001543391335 1056211869 /nfs/dbraw/zinc/21/18/69/1056211869.db2.gz VHLFTHDXXCLKPU-WMZOPIPTSA-N 1 1 308.510 4.116 20 30 DIEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001543391332 1056212050 /nfs/dbraw/zinc/21/20/50/1056212050.db2.gz VHLFTHDXXCLKPU-AEFFLSMTSA-N 1 1 308.510 4.116 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC001168656672 1056444939 /nfs/dbraw/zinc/44/49/39/1056444939.db2.gz GNPXXFCYAZHZNZ-SFHVURJKSA-N 1 1 321.380 4.264 20 30 DIEDMO Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccc1CC#N ZINC001240387763 1056471735 /nfs/dbraw/zinc/47/17/35/1056471735.db2.gz WEOLSXBHSPFMJM-UHFFFAOYSA-N 1 1 302.421 4.350 20 30 DIEDMO CC(C)(C#N)c1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001240388352 1056471989 /nfs/dbraw/zinc/47/19/89/1056471989.db2.gz KPNFCRQKYINZRZ-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO N#Cc1c[nH]c2cc(C3=CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC001240388497 1056472211 /nfs/dbraw/zinc/47/22/11/1056472211.db2.gz MURYSRMWDAVZSB-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001615195753 1056473870 /nfs/dbraw/zinc/47/38/70/1056473870.db2.gz VKETVNVBVBISQT-HXUWFJFHSA-N 1 1 312.457 4.372 20 30 DIEDMO N#CCc1c(F)cccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240389022 1056474148 /nfs/dbraw/zinc/47/41/48/1056474148.db2.gz RTEPNGBBWCOLOK-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001615229582 1056479762 /nfs/dbraw/zinc/47/97/62/1056479762.db2.gz KXDUQCKZICKXNN-HZPDHXFCSA-N 1 1 314.256 4.240 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615223754 1056479816 /nfs/dbraw/zinc/47/98/16/1056479816.db2.gz WQTCOEKAPBRJIX-MRXNPFEDSA-N 1 1 306.409 4.316 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC001615229705 1056480075 /nfs/dbraw/zinc/48/00/75/1056480075.db2.gz MPPMNHRGNPVTBM-MRXNPFEDSA-N 1 1 308.425 4.458 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229704 1056481057 /nfs/dbraw/zinc/48/10/57/1056481057.db2.gz MPPMNHRGNPVTBM-INIZCTEOSA-N 1 1 308.425 4.458 20 30 DIEDMO C=CC[N@H+](Cc1ccc(N(C)CC)cc1)Cc1cccc(C#N)c1 ZINC001615331922 1056494797 /nfs/dbraw/zinc/49/47/97/1056494797.db2.gz DWYJCLUWLVPAOT-UHFFFAOYSA-N 1 1 319.452 4.203 20 30 DIEDMO C#CC[N@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CCCCC1 ZINC001615367121 1056499235 /nfs/dbraw/zinc/49/92/35/1056499235.db2.gz RFZYUTQWCHTFEU-ROUUACIJSA-N 1 1 303.396 4.303 20 30 DIEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)C1CCCCC1 ZINC001615367149 1056499249 /nfs/dbraw/zinc/49/92/49/1056499249.db2.gz SDBQRSGLKJOELW-UHFFFAOYSA-N 1 1 309.425 4.325 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCCCC1 ZINC001615367137 1056499301 /nfs/dbraw/zinc/49/93/01/1056499301.db2.gz ROTFBQHTQUYYKO-UHFFFAOYSA-N 1 1 320.358 4.345 20 30 DIEDMO C#CC[N@@H+](Cc1cscc1Br)C1CCCCC1 ZINC001615365892 1056499418 /nfs/dbraw/zinc/49/94/18/1056499418.db2.gz BTIWDZGTCREPJU-UHFFFAOYSA-N 1 1 312.276 4.279 20 30 DIEDMO C#CC[N@H+](Cc1cscc1Br)C1CCCCC1 ZINC001615365892 1056499420 /nfs/dbraw/zinc/49/94/20/1056499420.db2.gz BTIWDZGTCREPJU-UHFFFAOYSA-N 1 1 312.276 4.279 20 30 DIEDMO C#CCC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1OC ZINC001615384168 1056502707 /nfs/dbraw/zinc/50/27/07/1056502707.db2.gz USCQEYOCDUGIFO-GOSISDBHSA-N 1 1 307.437 4.152 20 30 DIEDMO COc1ccc([C@H](C)[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000073986799 1056513545 /nfs/dbraw/zinc/51/35/45/1056513545.db2.gz SAOXGJYYHBWJNQ-HNNXBMFYSA-N 1 1 319.408 4.013 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000073986799 1056513558 /nfs/dbraw/zinc/51/35/58/1056513558.db2.gz SAOXGJYYHBWJNQ-HNNXBMFYSA-N 1 1 319.408 4.013 20 30 DIEDMO N#CC1(CCCC[N@H+](Cc2cccc(O)c2)CC2CC2)CCC1 ZINC001615465709 1056515197 /nfs/dbraw/zinc/51/51/97/1056515197.db2.gz HOUYGTPZPDWRDT-UHFFFAOYSA-N 1 1 312.457 4.468 20 30 DIEDMO N#CCC1(C[N@@H+](CCc2ccc(Cl)cc2)CC2CC2)CC1 ZINC001615490658 1056520730 /nfs/dbraw/zinc/52/07/30/1056520730.db2.gz QUBQBIPEVVHRTN-UHFFFAOYSA-N 1 1 302.849 4.288 20 30 DIEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCCCC1 ZINC001615503970 1056524639 /nfs/dbraw/zinc/52/46/39/1056524639.db2.gz ALPDUGBYSFUCJE-UHFFFAOYSA-N 1 1 306.381 4.302 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC001615510980 1056525652 /nfs/dbraw/zinc/52/56/52/1056525652.db2.gz ZRHGZNLBDUEFCV-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC001615558625 1056532880 /nfs/dbraw/zinc/53/28/80/1056532880.db2.gz HEADNLVQFCBZEF-BEFAXECRSA-N 1 1 308.400 4.118 20 30 DIEDMO Cc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)cc1C#N ZINC001615559613 1056533802 /nfs/dbraw/zinc/53/38/02/1056533802.db2.gz QYVGWUZGZCUZKV-HNAYVOBHSA-N 1 1 308.400 4.384 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC001615788714 1056574403 /nfs/dbraw/zinc/57/44/03/1056574403.db2.gz HOKYHLWRSLZBLL-QFIPXVFZSA-N 1 1 316.448 4.428 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NC)cc2)cc1 ZINC001240571229 1056582193 /nfs/dbraw/zinc/58/21/93/1056582193.db2.gz KRIOYDMSGPKVSD-FQEVSTJZSA-N 1 1 320.436 4.036 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999672 1056606104 /nfs/dbraw/zinc/60/61/04/1056606104.db2.gz TURRKPOXXJSTEV-MOPGFXCFSA-N 1 1 314.473 4.016 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)c(OC)c2)cc1 ZINC001240624527 1056619737 /nfs/dbraw/zinc/61/97/37/1056619737.db2.gz ZCFMYSJCRSZTCD-GOSISDBHSA-N 1 1 324.424 4.089 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001616570343 1056680071 /nfs/dbraw/zinc/68/00/71/1056680071.db2.gz RJTOMEAOWYVACR-UHFFFAOYSA-N 1 1 315.420 4.211 20 30 DIEDMO C=CC[N@H+](CCCCOc1ccc(Br)cc1)C1CC1 ZINC001616577534 1056681552 /nfs/dbraw/zinc/68/15/52/1056681552.db2.gz XGLOKJBDWDSYME-UHFFFAOYSA-N 1 1 324.262 4.259 20 30 DIEDMO C=C(Br)C[NH2+][C@@H](CCC)c1ccc(F)cc1F ZINC001616628739 1056690163 /nfs/dbraw/zinc/69/01/63/1056690163.db2.gz 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C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266732 1057587322 /nfs/dbraw/zinc/58/73/22/1057587322.db2.gz FSLWAPWPZUIJLJ-OALUTQOASA-N 1 1 314.473 4.416 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000611268974 1057587393 /nfs/dbraw/zinc/58/73/93/1057587393.db2.gz YXPSHLDHIZNVOG-QGZVFWFLSA-N 1 1 312.438 4.356 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000611268974 1057587395 /nfs/dbraw/zinc/58/73/95/1057587395.db2.gz YXPSHLDHIZNVOG-QGZVFWFLSA-N 1 1 312.438 4.356 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000611387311 1057594493 /nfs/dbraw/zinc/59/44/93/1057594493.db2.gz KCQOSWTWKGBUHJ-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(C2CC2)cs1 ZINC000611394424 1057596423 /nfs/dbraw/zinc/59/64/23/1057596423.db2.gz IWYXCZSIBTYGQQ-INIZCTEOSA-N 1 1 309.438 4.059 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(Cl)c1Cl ZINC000611396282 1057597393 /nfs/dbraw/zinc/59/73/93/1057597393.db2.gz 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N#Cc1ccc(F)c(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000732204416 1057770522 /nfs/dbraw/zinc/77/05/22/1057770522.db2.gz KUNSXINIKBCURD-UHFFFAOYSA-N 1 1 324.399 4.348 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668344 1057782713 /nfs/dbraw/zinc/78/27/13/1057782713.db2.gz YQZVWKPBUUCFBA-QGZVFWFLSA-N 1 1 309.400 4.067 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(F)nc(F)c2)cc1 ZINC001243973107 1057824991 /nfs/dbraw/zinc/82/49/91/1057824991.db2.gz DKMGGWGQXJEFKX-INIZCTEOSA-N 1 1 300.352 4.350 20 30 DIEDMO CC[N@H+]1CCc2cc(-c3cccc(C4(C#N)CC4)c3)ccc2C1 ZINC001244071867 1057857936 /nfs/dbraw/zinc/85/79/36/1057857936.db2.gz LHCKPFRTKTYPIM-UHFFFAOYSA-N 1 1 302.421 4.287 20 30 DIEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(C#N)cc3Cl)cc2C1 ZINC001244331062 1057935235 /nfs/dbraw/zinc/93/52/35/1057935235.db2.gz ICMYLBIBFGRGKH-UHFFFAOYSA-N 1 1 300.764 4.006 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C)c(C#N)c3)c(C)c2)CC1 ZINC001244482925 1057972384 /nfs/dbraw/zinc/97/23/84/1057972384.db2.gz WBWNGGRSEVVRGG-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C)cc2CO)cc1 ZINC001244491354 1057974409 /nfs/dbraw/zinc/97/44/09/1057974409.db2.gz IWNPEZAIJPBMIL-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO C[N@H+]1CCc2c(F)cc(-c3cccc(Cl)c3C#N)cc2C1 ZINC001244735834 1058037410 /nfs/dbraw/zinc/03/74/10/1058037410.db2.gz XSPQXWBPFYUCFS-UHFFFAOYSA-N 1 1 300.764 4.006 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)cc(OC)c2)cc1 ZINC001244841705 1058057178 /nfs/dbraw/zinc/05/71/78/1058057178.db2.gz IAMUAZWSTAFREF-OAQYLSRUSA-N 1 1 323.436 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(N)c2)cc1 ZINC001244900399 1058068440 /nfs/dbraw/zinc/06/84/40/1058068440.db2.gz UJEFIGSDLLHFLE-IBGZPJMESA-N 1 1 308.425 4.267 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3)c(C)c2)CC1 ZINC001245495269 1058184346 /nfs/dbraw/zinc/18/43/46/1058184346.db2.gz HYLPOMMAXHAVSJ-UHFFFAOYSA-N 1 1 303.409 4.038 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)c(OC)c2)cc1 ZINC001245505976 1058189551 /nfs/dbraw/zinc/18/95/51/1058189551.db2.gz PJHDQAALPJZVOK-LJQANCHMSA-N 1 1 308.425 4.267 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001545471530 1058204305 /nfs/dbraw/zinc/20/43/05/1058204305.db2.gz HCVCAUPSXQRBEU-GUDVDZBRSA-N 1 1 322.537 4.364 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC001245568781 1058233643 /nfs/dbraw/zinc/23/36/43/1058233643.db2.gz ZLVFFSCFNIJDFO-QGZVFWFLSA-N 1 1 313.832 4.307 20 30 DIEDMO Cc1ccc(C#N)c(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)c1 ZINC001245601758 1058277508 /nfs/dbraw/zinc/27/75/08/1058277508.db2.gz YKXHPKMWKVMGDE-INIZCTEOSA-N 1 1 305.425 4.303 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001528766869 1058512178 /nfs/dbraw/zinc/51/21/78/1058512178.db2.gz YDHHCSRCCQOWQU-ZWKOTPCHSA-N 1 1 310.526 4.314 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc3cncn3c2)cc1 ZINC001245899278 1058607415 /nfs/dbraw/zinc/60/74/15/1058607415.db2.gz DBXZILVFPZXPFX-FQEVSTJZSA-N 1 1 303.409 4.324 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3cncn3c2)cc1 ZINC001245899278 1058607432 /nfs/dbraw/zinc/60/74/32/1058607432.db2.gz DBXZILVFPZXPFX-FQEVSTJZSA-N 1 1 303.409 4.324 20 30 DIEDMO CCCCCCCCCc1cc(=O)n(C2CC[NH+](C)CC2)[nH]1 ZINC001245954355 1058649678 /nfs/dbraw/zinc/64/96/78/1058649678.db2.gz NKGGYFBBVHOZND-UHFFFAOYSA-N 1 1 307.482 4.149 20 30 DIEDMO CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246090010 1058671170 /nfs/dbraw/zinc/67/11/70/1058671170.db2.gz UZHRFTVSJXKJDV-HOTGVXAUSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCCCCN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001278436178 1058744343 /nfs/dbraw/zinc/74/43/43/1058744343.db2.gz AJEWQRGYJAYTLX-BGYRXZFFSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCCC[N@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001278436178 1058744362 /nfs/dbraw/zinc/74/43/62/1058744362.db2.gz AJEWQRGYJAYTLX-BGYRXZFFSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001278436178 1058744381 /nfs/dbraw/zinc/74/43/81/1058744381.db2.gz AJEWQRGYJAYTLX-BGYRXZFFSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001557510304 1058760924 /nfs/dbraw/zinc/76/09/24/1058760924.db2.gz RYDBVOPGLDNIFV-ROUUACIJSA-N 1 1 310.526 4.221 20 30 DIEDMO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301583 1058810346 /nfs/dbraw/zinc/81/03/46/1058810346.db2.gz TVPUUHIUNYYATH-GUDVDZBRSA-N 1 1 313.489 4.012 20 30 DIEDMO CCCC[C@@H]1C[C@H](N[C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302246 1058811486 /nfs/dbraw/zinc/81/14/86/1058811486.db2.gz XGUMRXVUFVODIJ-VAMGGRTRSA-N 1 1 313.489 4.156 20 30 DIEDMO CC[C@@H](N[C@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(C#N)c1 ZINC001246318292 1058830289 /nfs/dbraw/zinc/83/02/89/1058830289.db2.gz SPSPBDMUYKDHQS-RBUKOAKNSA-N 1 1 311.473 4.054 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001558349535 1058860122 /nfs/dbraw/zinc/86/01/22/1058860122.db2.gz SBNYAOHSFJCIFT-GBESFXJTSA-N 1 1 322.537 4.458 20 30 DIEDMO Cc1cc(C#N)cc(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC001559055401 1058952970 /nfs/dbraw/zinc/95/29/70/1058952970.db2.gz MEXSSMJFUMYKNY-UHFFFAOYSA-N 1 1 306.413 4.386 20 30 DIEDMO C=CC[C@@H](N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492665 1058970449 /nfs/dbraw/zinc/97/04/49/1058970449.db2.gz XLJDFKIGJVNRQK-BHDDXSALSA-N 1 1 320.480 4.257 20 30 DIEDMO CCCCCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001530474018 1059055628 /nfs/dbraw/zinc/05/56/28/1059055628.db2.gz ZKCCRNMYWXYNOD-HXUWFJFHSA-N 1 1 316.489 4.128 20 30 DIEDMO CCCCCCCCCCCC[N@@H+](C)C1C[C@@H]2COC[C@H](C1)N2 ZINC001246860207 1059136519 /nfs/dbraw/zinc/13/65/19/1059136519.db2.gz QLHPUOUJCFQZQV-YOFSQIOKSA-N 1 1 324.553 4.359 20 30 DIEDMO CCCCCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001530893368 1059178144 /nfs/dbraw/zinc/17/81/44/1059178144.db2.gz XRUNSTYHUDQKMT-SQNIBIBYSA-N 1 1 310.526 4.457 20 30 DIEDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2cccc(C#N)c2Cl)C1 ZINC001559469980 1059248588 /nfs/dbraw/zinc/24/85/88/1059248588.db2.gz GHAXPJWQUVMJRQ-BETUJISGSA-N 1 1 308.878 4.282 20 30 DIEDMO C=CC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccccc1F ZINC001559495495 1059275633 /nfs/dbraw/zinc/27/56/33/1059275633.db2.gz IDVSOLKLIQCQQN-UHFFFAOYSA-N 1 1 305.343 4.335 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(C)c(Cl)n1)[C@@H]1CCc2ccccc21 ZINC001559499137 1059281533 /nfs/dbraw/zinc/28/15/33/1059281533.db2.gz JUDRHPZJAGTCON-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(Cl)n1)[C@@H]1CCc2ccccc21 ZINC001559499137 1059281556 /nfs/dbraw/zinc/28/15/56/1059281556.db2.gz JUDRHPZJAGTCON-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001559499592 1059284130 /nfs/dbraw/zinc/28/41/30/1059284130.db2.gz YICBTXGCEBGCJJ-HTAPYJJXSA-N 1 1 319.448 4.421 20 30 DIEDMO C#CC[N@H+](C[C@@H](OC)C1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001559499207 1059284488 /nfs/dbraw/zinc/28/44/88/1059284488.db2.gz LTWFDHGXPKSIFM-NHCUHLMSSA-N 1 1 311.469 4.204 20 30 DIEDMO C#CC[N@H+](C[C@@H](OC)C1CCCCC1)[C@H]1CCc2ccccc21 ZINC001559499206 1059284982 /nfs/dbraw/zinc/28/49/82/1059284982.db2.gz LTWFDHGXPKSIFM-LEWJYISDSA-N 1 1 311.469 4.204 20 30 DIEDMO CCOc1ccc2c(c1)C[N@H+](Cc1c(C)cc(C#N)cc1C)CC2 ZINC001559502987 1059290011 /nfs/dbraw/zinc/29/00/11/1059290011.db2.gz TXCJJFFYNOUHEE-UHFFFAOYSA-N 1 1 320.436 4.132 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC(F)(F)C1 ZINC001559505920 1059295836 /nfs/dbraw/zinc/29/58/36/1059295836.db2.gz RARCFGMAXBKNQV-QGZVFWFLSA-N 1 1 306.400 4.452 20 30 DIEDMO C=CC[N@H+](CCCc1cccc(C)c1)Cc1cccc(C#N)c1 ZINC001559508115 1059300774 /nfs/dbraw/zinc/30/07/74/1059300774.db2.gz JIFIPKNODBDJSK-UHFFFAOYSA-N 1 1 304.437 4.488 20 30 DIEDMO C[N@H+](Cc1ccncc1C#N)Cc1ccccc1-c1ccccc1 ZINC001559514950 1059311897 /nfs/dbraw/zinc/31/18/97/1059311897.db2.gz UIXPYSCQNAABFJ-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C[N@@H+](Cc1ccncc1C#N)Cc1ccccc1-c1ccccc1 ZINC001559514950 1059311920 /nfs/dbraw/zinc/31/19/20/1059311920.db2.gz UIXPYSCQNAABFJ-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C=CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)CC1CCCCC1 ZINC001559537833 1059338712 /nfs/dbraw/zinc/33/87/12/1059338712.db2.gz HCMLGGPXAVGWKA-UHFFFAOYSA-N 1 1 324.509 4.312 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC001559547117 1059356152 /nfs/dbraw/zinc/35/61/52/1059356152.db2.gz NZCQTQHLWDHYNS-UHFFFAOYSA-N 1 1 308.400 4.213 20 30 DIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC001559555752 1059368873 /nfs/dbraw/zinc/36/88/73/1059368873.db2.gz IVMMJDQXLHKXCC-UHFFFAOYSA-N 1 1 306.425 4.141 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566770 1059389753 /nfs/dbraw/zinc/38/97/53/1059389753.db2.gz NFRHULACKOQOOM-YWZLYKJASA-N 1 1 311.375 4.399 20 30 DIEDMO CCOC(=O)C1([N@H+](C)CCC2(C#N)CCCCC2)CCCCC1 ZINC001559611229 1059441890 /nfs/dbraw/zinc/44/18/90/1059441890.db2.gz WJQXZJYKDCEXHH-UHFFFAOYSA-N 1 1 320.477 4.048 20 30 DIEDMO CCOC(=O)C1([N@@H+](C)CCC2(C#N)CCCCC2)CCCCC1 ZINC001559611229 1059441904 /nfs/dbraw/zinc/44/19/04/1059441904.db2.gz WJQXZJYKDCEXHH-UHFFFAOYSA-N 1 1 320.477 4.048 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001559635046 1059460872 /nfs/dbraw/zinc/46/08/72/1059460872.db2.gz IUEXRXLHRBSFHL-QGZVFWFLSA-N 1 1 309.400 4.037 20 30 DIEDMO C#CCCCCCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC001559646261 1059471556 /nfs/dbraw/zinc/47/15/56/1059471556.db2.gz GQCHJJYNWZELDH-UHFFFAOYSA-N 1 1 313.485 4.377 20 30 DIEDMO C#CCCCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001559654923 1059485495 /nfs/dbraw/zinc/48/54/95/1059485495.db2.gz PTEFWWDPLHQEBR-UXHICEINSA-N 1 1 312.501 4.165 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC001559670888 1059496837 /nfs/dbraw/zinc/49/68/37/1059496837.db2.gz WJMPHISHWKACKF-MRXNPFEDSA-N 1 1 305.849 4.377 20 30 DIEDMO CC#CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC001559673987 1059497900 /nfs/dbraw/zinc/49/79/00/1059497900.db2.gz ANQPICNWEUEKGU-LEWJYISDSA-N 1 1 305.421 4.249 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](CCOc3ccccc3C#N)CC2)c1 ZINC001559680130 1059506983 /nfs/dbraw/zinc/50/69/83/1059506983.db2.gz VJHOWWSLDKIDHB-UHFFFAOYSA-N 1 1 318.420 4.035 20 30 DIEDMO Cc1cccc(C2=CC[N@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC001559678843 1059508006 /nfs/dbraw/zinc/50/80/06/1059508006.db2.gz DSJAQVUHCLJOAT-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC001559678843 1059508023 /nfs/dbraw/zinc/50/80/23/1059508023.db2.gz DSJAQVUHCLJOAT-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001559691939 1059520256 /nfs/dbraw/zinc/52/02/56/1059520256.db2.gz VWFNVALEEJEMMP-CVEARBPZSA-N 1 1 312.498 4.287 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001559713408 1059543038 /nfs/dbraw/zinc/54/30/38/1059543038.db2.gz OSCRKMXYFQRBPI-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001559713408 1059543055 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DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001247638600 1059580896 /nfs/dbraw/zinc/58/08/96/1059580896.db2.gz BIRMQXGTSSRKFI-HNNXBMFYSA-N 1 1 321.371 4.460 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(F)c2)no1 ZINC001247637708 1059583630 /nfs/dbraw/zinc/58/36/30/1059583630.db2.gz CBSQAEWZJWYOJB-AWEZNQCLSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2F)no1 ZINC001247637676 1059583664 /nfs/dbraw/zinc/58/36/64/1059583664.db2.gz ATXOYTQBCXRZDQ-AWEZNQCLSA-N 1 1 307.344 4.151 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC001247640537 1059585904 /nfs/dbraw/zinc/58/59/04/1059585904.db2.gz SZZDUIBNAZNYHV-KRWDZBQOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247640437 1059587402 /nfs/dbraw/zinc/58/74/02/1059587402.db2.gz ROQANSSZXQWLEH-INIZCTEOSA-N 1 1 310.401 4.053 20 30 DIEDMO C=C(C)[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767116 1059604696 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CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001248751249 1059965412 /nfs/dbraw/zinc/96/54/12/1059965412.db2.gz PJHMWMSVPLCPNC-IBGZPJMESA-N 1 1 304.437 4.185 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001248752519 1059965645 /nfs/dbraw/zinc/96/56/45/1059965645.db2.gz OVRQXCPBOIHQST-FQEVSTJZSA-N 1 1 305.425 4.161 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC001248751402 1059965866 /nfs/dbraw/zinc/96/58/66/1059965866.db2.gz VXCXVEOPBFLITJ-OAQYLSRUSA-N 1 1 320.436 4.466 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001560188197 1059976658 /nfs/dbraw/zinc/97/66/58/1059976658.db2.gz JYONSFAFOWWDFN-WAEYIKQSSA-N 1 1 318.420 4.245 20 30 DIEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001560189810 1059978466 /nfs/dbraw/zinc/97/84/66/1059978466.db2.gz PFMWTJYUKMHVHJ-IBGZPJMESA-N 1 1 313.441 4.336 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001560199947 1059979948 /nfs/dbraw/zinc/97/99/48/1059979948.db2.gz 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CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC001249687466 1060348380 /nfs/dbraw/zinc/34/83/80/1060348380.db2.gz FJLDPQRPCKKPSX-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cccc(C#N)c1F ZINC001249688085 1060350565 /nfs/dbraw/zinc/35/05/65/1060350565.db2.gz YPLNFUHAFKHHIX-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001534765240 1060363608 /nfs/dbraw/zinc/36/36/08/1060363608.db2.gz HVFLXZVGILMYLO-IPMKNSEASA-N 1 1 322.537 4.316 20 30 DIEDMO CCOc1cc(C[NH2+][C@H](C)CC#N)ccc1OCc1ccccc1 ZINC001560574852 1060387829 /nfs/dbraw/zinc/38/78/29/1060387829.db2.gz NQDGVYVKEUANBU-MRXNPFEDSA-N 1 1 324.424 4.056 20 30 DIEDMO Cc1cc(Nc2ccc(-c3ccc(C#N)cc3)cc2)c[nH+]c1N ZINC001249784225 1060400061 /nfs/dbraw/zinc/40/00/61/1060400061.db2.gz LJPYTXBLQWPRHV-UHFFFAOYSA-N 1 1 300.365 4.255 20 30 DIEDMO Cc1cccc([C@H]2CCCC[N@H+]2Cc2cccc(C#N)n2)c1C ZINC001560634028 1060448463 /nfs/dbraw/zinc/44/84/63/1060448463.db2.gz 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ZINC001560703955 1060560160 /nfs/dbraw/zinc/56/01/60/1060560160.db2.gz SMJHWWAOKMNDLH-GDBMZVCRSA-N 1 1 300.450 4.121 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2nonc2c1 ZINC001560719355 1060581730 /nfs/dbraw/zinc/58/17/30/1060581730.db2.gz DJJIMNSTJHZBOE-UHFFFAOYSA-N 1 1 319.817 4.126 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2nonc2c1 ZINC001560719355 1060581746 /nfs/dbraw/zinc/58/17/46/1060581746.db2.gz DJJIMNSTJHZBOE-UHFFFAOYSA-N 1 1 319.817 4.126 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C(=O)OC)c(C)c1 ZINC001560725895 1060590749 /nfs/dbraw/zinc/59/07/49/1060590749.db2.gz VSAVFXFQWKEOFB-UHFFFAOYSA-N 1 1 315.438 4.031 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc(CCc2ccccc2)s1 ZINC001560794923 1060655606 /nfs/dbraw/zinc/65/56/06/1060655606.db2.gz INDDPGRZIISCIK-KRWDZBQOSA-N 1 1 312.482 4.469 20 30 DIEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C3CCCC3)c2)n1 ZINC001560801183 1060660553 /nfs/dbraw/zinc/66/05/53/1060660553.db2.gz HQNHNZDVQOSWGN-UHFFFAOYSA-N 1 1 321.468 4.196 20 30 DIEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C3CCCC3)c2)n1 ZINC001560801183 1060660560 /nfs/dbraw/zinc/66/05/60/1060660560.db2.gz HQNHNZDVQOSWGN-UHFFFAOYSA-N 1 1 321.468 4.196 20 30 DIEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001560849090 1060706182 /nfs/dbraw/zinc/70/61/82/1060706182.db2.gz PFFFQWMMQRLXJB-BBRMVZONSA-N 1 1 308.878 4.446 20 30 DIEDMO Cc1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)ccc1C#N ZINC001560863726 1060722893 /nfs/dbraw/zinc/72/28/93/1060722893.db2.gz ARUDJKCVASERMH-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2C[C@H](Oc3ccccc3)C2(C)C)cc1 ZINC001560870801 1060729705 /nfs/dbraw/zinc/72/97/05/1060729705.db2.gz QBRKQBKKVOOGIN-RTWAWAEBSA-N 1 1 319.448 4.346 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 ZINC001560877298 1060737104 /nfs/dbraw/zinc/73/71/04/1060737104.db2.gz PQVOIONVFDBNSB-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)n1 ZINC001560877298 1060737117 /nfs/dbraw/zinc/73/71/17/1060737117.db2.gz PQVOIONVFDBNSB-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO CC(C)Oc1c(F)cc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC001250293592 1060760839 /nfs/dbraw/zinc/76/08/39/1060760839.db2.gz ZCXIWRPMTAMZSY-UHFFFAOYSA-N 1 1 324.827 4.392 20 30 DIEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CC#Cc1ccccc1 ZINC001560901381 1060765928 /nfs/dbraw/zinc/76/59/28/1060765928.db2.gz RGWOEKMIFHVYJG-NRFANRHFSA-N 1 1 307.412 4.274 20 30 DIEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)OCC ZINC001560986912 1060852385 /nfs/dbraw/zinc/85/23/85/1060852385.db2.gz NCDFMCHTIHOLLJ-JCYILVPMSA-N 1 1 309.494 4.469 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1 ZINC001560997157 1060855334 /nfs/dbraw/zinc/85/53/34/1060855334.db2.gz MHGJOYYVHKEIIL-MRXNPFEDSA-N 1 1 310.363 4.262 20 30 DIEDMO C=CC[N@H+](Cc1cccc(OC)c1OCC1CC1)C(C)(C)C ZINC001250527296 1060872539 /nfs/dbraw/zinc/87/25/39/1060872539.db2.gz GRVIMBVUNDNEHN-UHFFFAOYSA-N 1 1 303.446 4.271 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC001561037395 1060890352 /nfs/dbraw/zinc/89/03/52/1060890352.db2.gz GYWRYBVLKPGFTK-UHFFFAOYSA-N 1 1 315.383 4.026 20 30 DIEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@H](O)c1ccc(C)cc1 ZINC001473194889 1060952707 /nfs/dbraw/zinc/95/27/07/1060952707.db2.gz NABKKLIJPBSJCJ-IBGZPJMESA-N 1 1 314.473 4.215 20 30 DIEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215646 1060985245 /nfs/dbraw/zinc/98/52/45/1060985245.db2.gz KXWYPAHOFPBCHK-YJBOKZPZSA-N 1 1 308.400 4.150 20 30 DIEDMO C=C(C)C[N@H+](Cc1cn2cc(C)ccc2n1)Cc1ccccc1 ZINC001462190264 1061013097 /nfs/dbraw/zinc/01/30/97/1061013097.db2.gz LMIJQINKMPXEIZ-UHFFFAOYSA-N 1 1 305.425 4.221 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cn2cc(C)ccc2n1)Cc1ccccc1 ZINC001462190264 1061013119 /nfs/dbraw/zinc/01/31/19/1061013119.db2.gz LMIJQINKMPXEIZ-UHFFFAOYSA-N 1 1 305.425 4.221 20 30 DIEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C[C@@H]1OC ZINC001473237804 1061016030 /nfs/dbraw/zinc/01/60/30/1061016030.db2.gz 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C=C(C)CC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001473498256 1061194332 /nfs/dbraw/zinc/19/43/32/1061194332.db2.gz MZWNJHLRUZDPMN-XJKSGUPXSA-N 1 1 313.363 4.433 20 30 DIEDMO CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)c1 ZINC001462482614 1061204694 /nfs/dbraw/zinc/20/46/94/1061204694.db2.gz UKDFGJQTYQIBIE-UHFFFAOYSA-N 1 1 320.436 4.018 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC001473516355 1061207817 /nfs/dbraw/zinc/20/78/17/1061207817.db2.gz KETUKPYTYRLQSI-GOSISDBHSA-N 1 1 308.510 4.071 20 30 DIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC001473514914 1061209337 /nfs/dbraw/zinc/20/93/37/1061209337.db2.gz LOXNGXZOCYNYSA-UHFFFAOYSA-N 1 1 307.526 4.294 20 30 DIEDMO CCCN(CCCCC(C)(C)C#N)CC[NH+]1CCCCCC1 ZINC001473514914 1061209357 /nfs/dbraw/zinc/20/93/57/1061209357.db2.gz LOXNGXZOCYNYSA-UHFFFAOYSA-N 1 1 307.526 4.294 20 30 DIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCOc1ccccc1C#N ZINC001473518502 1061212677 /nfs/dbraw/zinc/21/26/77/1061212677.db2.gz DFHNUSXWPNVOQU-RDJZCZTQSA-N 1 1 300.446 4.084 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)ccc1C#N ZINC001462512571 1061221854 /nfs/dbraw/zinc/22/18/54/1061221854.db2.gz AFYCDXZJZWIBRX-HXUWFJFHSA-N 1 1 308.400 4.328 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001462526526 1061235492 /nfs/dbraw/zinc/23/54/92/1061235492.db2.gz POHVKPJTYFMPLG-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1(C)C ZINC001473542701 1061239272 /nfs/dbraw/zinc/23/92/72/1061239272.db2.gz XWZMFHOFWXSGHL-QGZVFWFLSA-N 1 1 314.473 4.474 20 30 DIEDMO C#CCCCCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001473566707 1061254926 /nfs/dbraw/zinc/25/49/26/1061254926.db2.gz VRSFZNNJYDUODS-DLBZAZTESA-N 1 1 307.478 4.012 20 30 DIEDMO C=C(Br)C[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC001473571183 1061258614 /nfs/dbraw/zinc/25/86/14/1061258614.db2.gz XAEWPPJTMNULEK-UHFFFAOYSA-N 1 1 318.642 4.082 20 30 DIEDMO C=CC(C)(C)CCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001462560173 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ZINC001473707268 1061360793 /nfs/dbraw/zinc/36/07/93/1061360793.db2.gz SRRYBKZXRYEWSF-MRXNPFEDSA-N 1 1 300.446 4.085 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001473739697 1061382256 /nfs/dbraw/zinc/38/22/56/1061382256.db2.gz UGTKBXLHIPDLBM-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO CCCC1(CCC)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001473768806 1061400143 /nfs/dbraw/zinc/40/01/43/1061400143.db2.gz HMZMYIWQWPUTKW-SFHVURJKSA-N 1 1 300.446 4.026 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797980 1061411314 /nfs/dbraw/zinc/41/13/14/1061411314.db2.gz STXJYUFHFAYLLB-QFBILLFUSA-N 1 1 322.493 4.064 20 30 DIEDMO C#CC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C(C)(C)C ZINC001473808798 1061417957 /nfs/dbraw/zinc/41/79/57/1061417957.db2.gz IRPAJVPRUPMLDT-UHFFFAOYSA-N 1 1 320.408 4.322 20 30 DIEDMO C#CC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C(C)(C)C ZINC001473808798 1061417962 /nfs/dbraw/zinc/41/79/62/1061417962.db2.gz IRPAJVPRUPMLDT-UHFFFAOYSA-N 1 1 320.408 4.322 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001473818837 1061422604 /nfs/dbraw/zinc/42/26/04/1061422604.db2.gz XJOFPEOHFJAUAC-JXFKEZNVSA-N 1 1 320.436 4.335 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001473843586 1061430499 /nfs/dbraw/zinc/43/04/99/1061430499.db2.gz HBWJOFFAWWFRFS-ZCPJJFRWSA-N 1 1 318.420 4.115 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CCc1ccccc1Br ZINC001473857327 1061436445 /nfs/dbraw/zinc/43/64/45/1061436445.db2.gz NEETZNPCFFZALY-HNNXBMFYSA-N 1 1 308.263 4.422 20 30 DIEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC001473861737 1061436363 /nfs/dbraw/zinc/43/63/63/1061436363.db2.gz JRYPSMYCDMXOCA-HNNXBMFYSA-N 1 1 302.245 4.315 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CCc1ccccc1Br ZINC001473857328 1061437317 /nfs/dbraw/zinc/43/73/17/1061437317.db2.gz NEETZNPCFFZALY-OAHLLOKOSA-N 1 1 308.263 4.422 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC001473881217 1061448440 /nfs/dbraw/zinc/44/84/40/1061448440.db2.gz OLHIRGSJTZREHK-HXUWFJFHSA-N 1 1 304.437 4.164 20 30 DIEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccc(F)cc1Cl)C(C)C ZINC001473927383 1061475808 /nfs/dbraw/zinc/47/58/08/1061475808.db2.gz KKYIFWAGGFTREO-GOSISDBHSA-N 1 1 324.871 4.267 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001457738107 1061493115 /nfs/dbraw/zinc/49/31/15/1061493115.db2.gz NWJXCCQJBRACMU-OALUTQOASA-N 1 1 322.537 4.460 20 30 DIEDMO CC(C)CCOc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC001473992129 1061533808 /nfs/dbraw/zinc/53/38/08/1061533808.db2.gz MZVLBHYUDRTMRN-UHFFFAOYSA-N 1 1 314.454 4.334 20 30 DIEDMO N#CCC[N@H+](C[C@H](O)c1ccccc1)C1CCCCCCC1 ZINC001251988977 1061547512 /nfs/dbraw/zinc/54/75/12/1061547512.db2.gz RRKMDUFNPYIHEZ-IBGZPJMESA-N 1 1 300.446 4.049 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001252121087 1061581721 /nfs/dbraw/zinc/58/17/21/1061581721.db2.gz CCRBJZVKIQCHBT-RTBURBONSA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001252122487 1061582044 /nfs/dbraw/zinc/58/20/44/1061582044.db2.gz WJQPGIKQJQVHNJ-SJLPKXTDSA-N 1 1 308.466 4.231 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001252121120 1061582217 /nfs/dbraw/zinc/58/22/17/1061582217.db2.gz CGYPDZXVJZQXHL-HUUCEWRRSA-N 1 1 309.416 4.167 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132174 1061592969 /nfs/dbraw/zinc/59/29/69/1061592969.db2.gz BCHJZVFNQGVASA-APWZRJJASA-N 1 1 321.509 4.076 20 30 DIEDMO C#Cc1cccc(NCC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC001474086432 1061631445 /nfs/dbraw/zinc/63/14/45/1061631445.db2.gz ZRKWNVXICWGHOX-UHFFFAOYSA-N 1 1 306.453 4.238 20 30 DIEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001252560060 1061663454 /nfs/dbraw/zinc/66/34/54/1061663454.db2.gz MRKILQRVZNTTEL-NRFANRHFSA-N 1 1 305.421 4.362 20 30 DIEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001252560956 1061663621 /nfs/dbraw/zinc/66/36/21/1061663621.db2.gz WMBCBEFCEOXBLI-IFMALSPDSA-N 1 1 321.464 4.220 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602386 1061672385 /nfs/dbraw/zinc/67/23/85/1061672385.db2.gz RRWSFFOASDPYMZ-JKSUJKDBSA-N 1 1 313.363 4.169 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602383 1061673774 /nfs/dbraw/zinc/67/37/74/1061673774.db2.gz RRWSFFOASDPYMZ-CVEARBPZSA-N 1 1 313.363 4.169 20 30 DIEDMO C=CCC[C@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001252612142 1061678624 /nfs/dbraw/zinc/67/86/24/1061678624.db2.gz MASHDCYSVBWGKQ-IBGZPJMESA-N 1 1 316.489 4.190 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(F)c(F)c1F)c1cccc(C#N)c1 ZINC001474207288 1061759176 /nfs/dbraw/zinc/75/91/76/1061759176.db2.gz ONWIVYBGQVBEHF-UHFFFAOYSA-N 1 1 304.315 4.000 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252979929 1061769176 /nfs/dbraw/zinc/76/91/76/1061769176.db2.gz PIXATLWRWBKQDA-GUDVDZBRSA-N 1 1 313.526 4.113 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)Cc1cc(C)nn1C ZINC001252984454 1061775767 /nfs/dbraw/zinc/77/57/67/1061775767.db2.gz IKCMXYVLCUJVJA-IBGZPJMESA-N 1 1 323.525 4.052 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001252987707 1061780471 /nfs/dbraw/zinc/78/04/71/1061780471.db2.gz VYZDBMBBOJNZRC-IYWMVGAKSA-N 1 1 324.553 4.093 20 30 DIEDMO CCCCC[N@@H+](CCNc1ncccc1C#N)Cc1ccccc1 ZINC001458469824 1061781765 /nfs/dbraw/zinc/78/17/65/1061781765.db2.gz CNTALALDLRVUEJ-UHFFFAOYSA-N 1 1 322.456 4.058 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1 ZINC001474248578 1061814365 /nfs/dbraw/zinc/81/43/65/1061814365.db2.gz QBVWDQURBYRSBV-MRXNPFEDSA-N 1 1 303.837 4.261 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001253239843 1061836756 /nfs/dbraw/zinc/83/67/56/1061836756.db2.gz UGEQPNBBSWXOPH-HKUYNNGSSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001253239845 1061836883 /nfs/dbraw/zinc/83/68/83/1061836883.db2.gz UGEQPNBBSWXOPH-MJGOQNOKSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001253239138 1061837746 /nfs/dbraw/zinc/83/77/46/1061837746.db2.gz KOKSGUCCKKOPCN-RTBURBONSA-N 1 1 316.489 4.149 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001253239844 1061838249 /nfs/dbraw/zinc/83/82/49/1061838249.db2.gz UGEQPNBBSWXOPH-IEBWSBKVSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC001253240532 1061838604 /nfs/dbraw/zinc/83/86/04/1061838604.db2.gz NGPQBPBMBIOVHU-CVEARBPZSA-N 1 1 308.491 4.168 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243298 1061840343 /nfs/dbraw/zinc/84/03/43/1061840343.db2.gz UDRXQGLSINYGSX-ZWKOTPCHSA-N 1 1 321.505 4.098 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)C1CCN(CCCC)CC1 ZINC001253242568 1061840731 /nfs/dbraw/zinc/84/07/31/1061840731.db2.gz NGUGPJOARNQPNO-HXUWFJFHSA-N 1 1 324.553 4.070 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)C1CCN(CCCC)CC1 ZINC001253242568 1061840758 /nfs/dbraw/zinc/84/07/58/1061840758.db2.gz NGUGPJOARNQPNO-HXUWFJFHSA-N 1 1 324.553 4.070 20 30 DIEDMO N#Cc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cs1 ZINC001474308777 1061875070 /nfs/dbraw/zinc/87/50/70/1061875070.db2.gz ZYUVRHNVICLALY-UHFFFAOYSA-N 1 1 324.405 4.121 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cs1 ZINC001474308777 1061875099 /nfs/dbraw/zinc/87/50/99/1061875099.db2.gz ZYUVRHNVICLALY-UHFFFAOYSA-N 1 1 324.405 4.121 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccc(C)cc3)C2)cc1 ZINC001474310949 1061881516 /nfs/dbraw/zinc/88/15/16/1061881516.db2.gz RJZDFNLUBOUAND-QFIPXVFZSA-N 1 1 303.449 4.431 20 30 DIEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001474327033 1061915789 /nfs/dbraw/zinc/91/57/89/1061915789.db2.gz OGRVFKLOTSGAII-TZIWHRDSSA-N 1 1 319.452 4.309 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1OC ZINC001474333188 1061921668 /nfs/dbraw/zinc/92/16/68/1061921668.db2.gz WBDFUGAXXGCCRD-STQMWFEESA-N 1 1 309.837 4.144 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)CC(C)(C)Oc1ccccc1 ZINC001474339795 1061935521 /nfs/dbraw/zinc/93/55/21/1061935521.db2.gz NLBCFLXXAHAHMA-UHFFFAOYSA-N 1 1 302.462 4.496 20 30 DIEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001474356996 1061973386 /nfs/dbraw/zinc/97/33/86/1061973386.db2.gz CMIUCWHBWGSHFB-RLLQIKCJSA-N 1 1 312.457 4.148 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC001474368934 1062005257 /nfs/dbraw/zinc/00/52/57/1062005257.db2.gz CTRCMPNZFDXUOT-UHFFFAOYSA-N 1 1 303.446 4.416 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1O ZINC001474374433 1062012970 /nfs/dbraw/zinc/01/29/70/1062012970.db2.gz RQWKPQFOIZPOFR-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)cc1OC ZINC001474374632 1062020606 /nfs/dbraw/zinc/02/06/06/1062020606.db2.gz YPSCZHGNLKNEHV-UHFFFAOYSA-N 1 1 308.425 4.288 20 30 DIEDMO C#CC[N@H+](Cc1cc2ccccc2n1C)[C@H]1CCc2ccccc21 ZINC001474386415 1062035589 /nfs/dbraw/zinc/03/55/89/1062035589.db2.gz CSGPWJKFVBSSTO-QFIPXVFZSA-N 1 1 314.432 4.301 20 30 DIEDMO C#CC[N@H+](Cc1ccc(Cl)cc1O)[C@H]1CCc2ccccc21 ZINC001474388288 1062038593 /nfs/dbraw/zinc/03/85/93/1062038593.db2.gz ZWPXCBSUCUYKQI-SFHVURJKSA-N 1 1 311.812 4.168 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2c(F)cccc2c1 ZINC001474390571 1062042376 /nfs/dbraw/zinc/04/23/76/1062042376.db2.gz HQQCMOAGJQNGHT-UHFFFAOYSA-N 1 1 310.372 4.198 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)c(C)cc1O ZINC001474392208 1062044347 /nfs/dbraw/zinc/04/43/47/1062044347.db2.gz UPBIBGMKOOSKDL-UHFFFAOYSA-N 1 1 305.805 4.178 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2Cl)nc1C ZINC001474400411 1062058437 /nfs/dbraw/zinc/05/84/37/1062058437.db2.gz ROXNIEGPXYUSBT-UHFFFAOYSA-N 1 1 301.821 4.008 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001254309355 1062074428 /nfs/dbraw/zinc/07/44/28/1062074428.db2.gz DHXMINZKMFAHHD-INIZCTEOSA-N 1 1 310.482 4.064 20 30 DIEDMO C[C@@]1(F)CCC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353280 1062085469 /nfs/dbraw/zinc/08/54/69/1062085469.db2.gz YOUOXXCTAVVHON-JLAWEPINSA-N 1 1 318.411 4.354 20 30 DIEDMO C[N@@H+](CCC1CC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358675 1062085665 /nfs/dbraw/zinc/08/56/65/1062085665.db2.gz IOYUDUDOVDRJMN-UHFFFAOYSA-N 1 1 300.421 4.262 20 30 DIEDMO C[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C2(CC2)C1 ZINC001254359713 1062086950 /nfs/dbraw/zinc/08/69/50/1062086950.db2.gz OKBWMMBWDBUJPT-MNNVXMFVSA-N 1 1 312.432 4.404 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@@H+](CC2CC2)C2CC2)CC1 ZINC001254360336 1062088996 /nfs/dbraw/zinc/08/89/96/1062088996.db2.gz ZQSWAQPOGPJUNW-UHFFFAOYSA-N 1 1 312.432 4.404 20 30 DIEDMO CC[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459345201 1062100189 /nfs/dbraw/zinc/10/01/89/1062100189.db2.gz DPNDTTOYJBWTBV-MAUKXSAKSA-N 1 1 300.446 4.289 20 30 DIEDMO CC[N@@H+](C[C@@H](Cc1ccccc1)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC001459350021 1062105412 /nfs/dbraw/zinc/10/54/12/1062105412.db2.gz LIOCAIMDKODTQU-LAUBAEHRSA-N 1 1 322.452 4.199 20 30 DIEDMO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001254493027 1062134046 /nfs/dbraw/zinc/13/40/46/1062134046.db2.gz IVOAYPWGVXPQBQ-ROUUACIJSA-N 1 1 315.482 4.062 20 30 DIEDMO Cc1cccc(C[N@H+](CCOc2ccccc2C#N)CC(C)C)c1 ZINC001459426601 1062142083 /nfs/dbraw/zinc/14/20/83/1062142083.db2.gz ZVGPQTMGJVKXLK-UHFFFAOYSA-N 1 1 322.452 4.404 20 30 DIEDMO Cc1cc(C[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)ccc1C#N ZINC001474474043 1062151726 /nfs/dbraw/zinc/15/17/26/1062151726.db2.gz ADHFWKLMLANORF-PBEJRMEISA-N 1 1 324.468 4.036 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001467644705 1062172027 /nfs/dbraw/zinc/17/20/27/1062172027.db2.gz OSMKOVUZBXTISO-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001467644702 1062172876 /nfs/dbraw/zinc/17/28/76/1062172876.db2.gz OSMKOVUZBXTISO-QZTJIDSGSA-N 1 1 310.526 4.316 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560785 1062178677 /nfs/dbraw/zinc/17/86/77/1062178677.db2.gz YITXCPFNPIDOFH-INIZCTEOSA-N 1 1 310.397 4.214 20 30 DIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001459520309 1062180621 /nfs/dbraw/zinc/18/06/21/1062180621.db2.gz JCIYLBLRIJPNEU-RDJZCZTQSA-N 1 1 323.358 4.201 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001474509072 1062191034 /nfs/dbraw/zinc/19/10/34/1062191034.db2.gz KHEKLWXORJEJOX-QFUCXCTJSA-N 1 1 320.411 4.465 20 30 DIEDMO C=CCCCCC[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001459542985 1062196720 /nfs/dbraw/zinc/19/67/20/1062196720.db2.gz TXQFNQCNYAPTPJ-UHFFFAOYSA-N 1 1 311.372 4.229 20 30 DIEDMO Cc1cc2c(s1)N([C@@H]1CC[C@@H](C#N)C1)c1ccccc1NC2=[NH2+] ZINC001254636689 1062207111 /nfs/dbraw/zinc/20/71/11/1062207111.db2.gz LIEXPDJQMFTXEI-CHWSQXEVSA-N 1 1 322.437 4.237 20 30 DIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001459570578 1062215169 /nfs/dbraw/zinc/21/51/69/1062215169.db2.gz RZEUXOUVWPYTRE-LJQANCHMSA-N 1 1 323.396 4.296 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577841 1062221711 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4.387 20 30 DIEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459623398 1062257085 /nfs/dbraw/zinc/25/70/85/1062257085.db2.gz PGDMTTHRBWYUDK-AWEZNQCLSA-N 1 1 303.858 4.316 20 30 DIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643058 1062272040 /nfs/dbraw/zinc/27/20/40/1062272040.db2.gz IMCXWLZUZIGPKN-KXBFYZLASA-N 1 1 308.425 4.475 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC001255044090 1062302849 /nfs/dbraw/zinc/30/28/49/1062302849.db2.gz JYFCJBIBLGYMEX-QGZVFWFLSA-N 1 1 320.436 4.300 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC001474591747 1062303838 /nfs/dbraw/zinc/30/38/38/1062303838.db2.gz QXNCJPJOFIICMN-LBPRGKRZSA-N 1 1 300.789 4.110 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692402 1062309242 /nfs/dbraw/zinc/30/92/42/1062309242.db2.gz CSPSPCZLNWCCPX-ZWKOTPCHSA-N 1 1 319.876 4.217 20 30 DIEDMO CCC1(CC)[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1OC ZINC001459692397 1062311986 /nfs/dbraw/zinc/31/19/86/1062311986.db2.gz CSPSPCZLNWCCPX-MSOLQXFVSA-N 1 1 319.876 4.217 20 30 DIEDMO C=CCCCC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC001459714505 1062331144 /nfs/dbraw/zinc/33/11/44/1062331144.db2.gz OSPCJZBYZAQYOP-UHFFFAOYSA-N 1 1 302.462 4.094 20 30 DIEDMO CC[C@H](CC#N)[NH2+]C1(c2ccccc2OC)CCC(F)(F)CC1 ZINC001255162284 1062347215 /nfs/dbraw/zinc/34/72/15/1062347215.db2.gz MSFBXKLKUFEBHK-CQSZACIVSA-N 1 1 322.399 4.382 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459748166 1062359914 /nfs/dbraw/zinc/35/99/14/1062359914.db2.gz KPTGOKGBLACYOJ-RTBURBONSA-N 1 1 314.473 4.282 20 30 DIEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC001459769413 1062381180 /nfs/dbraw/zinc/38/11/80/1062381180.db2.gz GZSOWEPETBCGTD-IBGZPJMESA-N 1 1 312.457 4.372 20 30 DIEDMO CC[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)c1ccccc1 ZINC001474654673 1062386053 /nfs/dbraw/zinc/38/60/53/1062386053.db2.gz KUVWXBIOBJYDKD-QGZVFWFLSA-N 1 1 304.437 4.305 20 30 DIEDMO N#Cc1c(F)cccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC001474655826 1062387529 /nfs/dbraw/zinc/38/75/29/1062387529.db2.gz XKXHJYYBHQUOSD-UHFFFAOYSA-N 1 1 322.305 4.092 20 30 DIEDMO C=CC[C@H](C)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC001459799001 1062408756 /nfs/dbraw/zinc/40/87/56/1062408756.db2.gz YDEQHTWMCHGOPU-KRWDZBQOSA-N 1 1 318.464 4.339 20 30 DIEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001459804330 1062413435 /nfs/dbraw/zinc/41/34/35/1062413435.db2.gz CKAANLSLGIKKET-AWEZNQCLSA-N 1 1 321.262 4.189 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812257 1062416650 /nfs/dbraw/zinc/41/66/50/1062416650.db2.gz DEJYHERWKHNQGL-FLAIETJXSA-N 1 1 312.457 4.408 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](CCc3ccc(C#N)cc3)CC2)c1 ZINC001459815942 1062421950 /nfs/dbraw/zinc/42/19/50/1062421950.db2.gz FURADESZRYGNJG-UHFFFAOYSA-N 1 1 302.421 4.199 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001474705536 1062431281 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CCC#C[C@@H](C)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001460002180 1062560035 /nfs/dbraw/zinc/56/00/35/1062560035.db2.gz KZBHNIAOXYPAEC-CZUORRHYSA-N 1 1 313.338 4.378 20 30 DIEDMO CCC#C[C@@H](C)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001460002180 1062560058 /nfs/dbraw/zinc/56/00/58/1062560058.db2.gz KZBHNIAOXYPAEC-CZUORRHYSA-N 1 1 313.338 4.378 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)OC)s2)CCCC1(C)C ZINC001460029903 1062584917 /nfs/dbraw/zinc/58/49/17/1062584917.db2.gz NMQZHTDDZXGXTP-HNNXBMFYSA-N 1 1 307.459 4.101 20 30 DIEDMO C[N@@H+](CCOc1ccccc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001460034225 1062586783 /nfs/dbraw/zinc/58/67/83/1062586783.db2.gz XHJKPHSVDHQLIL-UHFFFAOYSA-N 1 1 322.452 4.367 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1cc(Cl)ccc1Cl ZINC001460032986 1062587525 /nfs/dbraw/zinc/58/75/25/1062587525.db2.gz OMBMYJFTNPOOSH-CYBMUJFWSA-N 1 1 315.288 4.494 20 30 DIEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001460096414 1062633400 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C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001256189903 1062744767 /nfs/dbraw/zinc/74/47/67/1062744767.db2.gz JFLKKMASFORYIT-KGLIPLIRSA-N 1 1 321.262 4.006 20 30 DIEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCc2ccc(F)cc21 ZINC001460331951 1062784070 /nfs/dbraw/zinc/78/40/70/1062784070.db2.gz HQBKRRQLUGMUST-QQFBHYJXSA-N 1 1 300.421 4.117 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001460356500 1062802785 /nfs/dbraw/zinc/80/27/85/1062802785.db2.gz NIPHJHXZLIFRDZ-UHFFFAOYSA-N 1 1 314.388 4.377 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001460356500 1062802815 /nfs/dbraw/zinc/80/28/15/1062802815.db2.gz NIPHJHXZLIFRDZ-UHFFFAOYSA-N 1 1 314.388 4.377 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC001460362696 1062807959 /nfs/dbraw/zinc/80/79/59/1062807959.db2.gz NXNGGCBROFSUNC-CQSZACIVSA-N 1 1 313.363 4.416 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001460359957 1062810314 /nfs/dbraw/zinc/81/03/14/1062810314.db2.gz IPLUHODXAIKFTG-AEFFLSMTSA-N 1 1 300.446 4.000 20 30 DIEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC001460364746 1062811608 /nfs/dbraw/zinc/81/16/08/1062811608.db2.gz RZSYGNHBDMPAFG-HUUCEWRRSA-N 1 1 320.864 4.264 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC001460364746 1062811638 /nfs/dbraw/zinc/81/16/38/1062811638.db2.gz RZSYGNHBDMPAFG-HUUCEWRRSA-N 1 1 320.864 4.264 20 30 DIEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC001460364748 1062812956 /nfs/dbraw/zinc/81/29/56/1062812956.db2.gz RZSYGNHBDMPAFG-LSDHHAIUSA-N 1 1 320.864 4.264 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC001460364748 1062812983 /nfs/dbraw/zinc/81/29/83/1062812983.db2.gz RZSYGNHBDMPAFG-LSDHHAIUSA-N 1 1 320.864 4.264 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256477449 1062836421 /nfs/dbraw/zinc/83/64/21/1062836421.db2.gz AXDSMWGAESMLJN-HOTGVXAUSA-N 1 1 310.482 4.063 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)C(C)(C)C ZINC001256491098 1062838404 /nfs/dbraw/zinc/83/84/04/1062838404.db2.gz VOODKVLBBZQRBM-LSDHHAIUSA-N 1 1 310.482 4.061 20 30 DIEDMO C=C1CC=C(F)C=C1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529558 1062852647 /nfs/dbraw/zinc/85/26/47/1062852647.db2.gz VHSMRZOHSFQKNN-VQIMIIECSA-N 1 1 312.432 4.326 20 30 DIEDMO C[C@H]1CN(C)c2ccccc2C[N@@H+]1CC#Cc1ccccc1Cl ZINC001460449404 1062859449 /nfs/dbraw/zinc/85/94/49/1062859449.db2.gz NFRHIEDIIYPMJM-INIZCTEOSA-N 1 1 324.855 4.032 20 30 DIEDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC#Cc1ccccc1Cl ZINC001460449404 1062859468 /nfs/dbraw/zinc/85/94/68/1062859468.db2.gz NFRHIEDIIYPMJM-INIZCTEOSA-N 1 1 324.855 4.032 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001256561578 1062885355 /nfs/dbraw/zinc/88/53/55/1062885355.db2.gz YUCPIHFYVIGMIR-ICSRJNTNSA-N 1 1 300.490 4.328 20 30 DIEDMO CC(C)[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC001256564062 1062891438 /nfs/dbraw/zinc/89/14/38/1062891438.db2.gz PSDBUOCNOXIBMU-LJQANCHMSA-N 1 1 313.489 4.108 20 30 DIEDMO CC(C)[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1cccc(C#N)c1 ZINC001256564062 1062891460 /nfs/dbraw/zinc/89/14/60/1062891460.db2.gz PSDBUOCNOXIBMU-LJQANCHMSA-N 1 1 313.489 4.108 20 30 DIEDMO C=C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC001256604967 1062912988 /nfs/dbraw/zinc/91/29/88/1062912988.db2.gz VCOCVMBAYNXVOT-OAQYLSRUSA-N 1 1 306.453 4.168 20 30 DIEDMO CSc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001460565616 1062915536 /nfs/dbraw/zinc/91/55/36/1062915536.db2.gz GESXIVBGMDHPJL-UHFFFAOYSA-N 1 1 308.450 4.033 20 30 DIEDMO Cc1cc(Cl)ccc1C1=CC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC001460582400 1062920773 /nfs/dbraw/zinc/92/07/73/1062920773.db2.gz QWMDZMOOYAVZRG-UHFFFAOYSA-N 1 1 312.800 4.402 20 30 DIEDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC001460582400 1062920789 /nfs/dbraw/zinc/92/07/89/1062920789.db2.gz QWMDZMOOYAVZRG-UHFFFAOYSA-N 1 1 312.800 4.402 20 30 DIEDMO C[N@@H+](Cc1ccccc1OCc1ccccc1)CC1(CC#N)CC1 ZINC001460622317 1062940691 /nfs/dbraw/zinc/94/06/91/1062940691.db2.gz NJQGURBVVFHYKG-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccccc1Br ZINC001256844089 1063014908 /nfs/dbraw/zinc/01/49/08/1063014908.db2.gz LYRKRTMGQXCKGQ-CYBMUJFWSA-N 1 1 309.251 4.006 20 30 DIEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4[C@H](CC4(F)F)C3)CC2)cc1 ZINC001257017107 1063081099 /nfs/dbraw/zinc/08/10/99/1063081099.db2.gz OHPBHBJEJMIKJM-FPQWYMTMSA-N 1 1 316.395 4.171 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CCc4cccnc4C3)CC2)cc1 ZINC001257018931 1063083099 /nfs/dbraw/zinc/08/30/99/1063083099.db2.gz HOVUAYFHFGVDNR-UHFFFAOYSA-N 1 1 317.436 4.038 20 30 DIEDMO CC(=O)[C@@H]1CCCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020081 1063086616 /nfs/dbraw/zinc/08/66/16/1063086616.db2.gz ZEVSXDAYXICOOI-MHJFOBGBSA-N 1 1 310.441 4.028 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(OC(C)(C)C)c1 ZINC001460848174 1063100736 /nfs/dbraw/zinc/10/07/36/1063100736.db2.gz JBJFJXBJQAHBGH-UHFFFAOYSA-N 1 1 314.454 4.429 20 30 DIEDMO CC(C)c1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001460855701 1063103342 /nfs/dbraw/zinc/10/33/42/1063103342.db2.gz CUYPYGHQNVLPDL-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO CC(C)c1cccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC001460855701 1063103350 /nfs/dbraw/zinc/10/33/50/1063103350.db2.gz CUYPYGHQNVLPDL-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001460886545 1063115555 /nfs/dbraw/zinc/11/55/55/1063115555.db2.gz NGAJJRGEDFZJKQ-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO COc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc2ccccc21 ZINC001460894456 1063120676 /nfs/dbraw/zinc/12/06/76/1063120676.db2.gz DKECARUSLBKVSA-GFCCVEGCSA-N 1 1 323.421 4.027 20 30 DIEDMO C=CCCC[N@H+](CC)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460902353 1063125782 /nfs/dbraw/zinc/12/57/82/1063125782.db2.gz ULQXABNHXDSKCW-KRWDZBQOSA-N 1 1 324.509 4.312 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001257204721 1063137364 /nfs/dbraw/zinc/13/73/64/1063137364.db2.gz LQZABKQXKGQJID-DLBZAZTESA-N 1 1 324.509 4.309 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@H](C)CCCCCC)CCC2 ZINC001257364850 1063230733 /nfs/dbraw/zinc/23/07/33/1063230733.db2.gz DHZYVTNDAQLBEY-QGZVFWFLSA-N 1 1 319.493 4.150 20 30 DIEDMO CCC(C)(C)C1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001257408274 1063259450 /nfs/dbraw/zinc/25/94/50/1063259450.db2.gz RTGCCGAVUCLCET-UYSNPLJNSA-N 1 1 307.503 4.256 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001461120722 1063272023 /nfs/dbraw/zinc/27/20/23/1063272023.db2.gz LZMVJWYKRLTWPI-GIVPXCGWSA-N 1 1 312.501 4.233 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)CCCCC)C2 ZINC001257509524 1063319856 /nfs/dbraw/zinc/31/98/56/1063319856.db2.gz HEGBDCIVNXWXEG-CEXWTWQISA-N 1 1 309.494 4.029 20 30 DIEDMO CCCCCCCCCC[C@H](C)[N@@H+]1CCc2nncn2CC1 ZINC001257550998 1063332399 /nfs/dbraw/zinc/33/23/99/1063332399.db2.gz ZRUWTZZWCBPPGW-KRWDZBQOSA-N 1 1 306.498 4.056 20 30 DIEDMO CCCCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001461231750 1063353016 /nfs/dbraw/zinc/35/30/16/1063353016.db2.gz MILPYXINNFJRBK-ROUUACIJSA-N 1 1 308.510 4.260 20 30 DIEDMO C=CC[N@H+](CCc1ccc(CC)cc1)Cc1ccc(OC)cc1 ZINC001473115828 1063415649 /nfs/dbraw/zinc/41/56/49/1063415649.db2.gz WONBZRXKUVYKKJ-UHFFFAOYSA-N 1 1 309.453 4.488 20 30 DIEDMO CC[N@@H+](CCCc1scnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117974 1063419336 /nfs/dbraw/zinc/41/93/36/1063419336.db2.gz SQAULWVLHDUGTN-HNNXBMFYSA-N 1 1 313.470 4.339 20 30 DIEDMO CC[N@@H+](CCCc1scnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001473117975 1063420093 /nfs/dbraw/zinc/42/00/93/1063420093.db2.gz SQAULWVLHDUGTN-OAHLLOKOSA-N 1 1 313.470 4.339 20 30 DIEDMO C#CC[N@H+](CCc1ccccc1CC)[C@@H]1CCc2ccccc21 ZINC001473122250 1063427230 /nfs/dbraw/zinc/42/72/30/1063427230.db2.gz UWMRFKBESMDEEL-JOCHJYFZSA-N 1 1 303.449 4.414 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3Cc4cnn(-c5ccccc5)c4C3)C[C@H](C1)C2 ZINC001257895679 1063431025 /nfs/dbraw/zinc/43/10/25/1063431025.db2.gz XSFGNTJZXUIZKA-XEWABKELSA-N 1 1 319.452 4.323 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001258044463 1063477361 /nfs/dbraw/zinc/47/73/61/1063477361.db2.gz OLJSRJXZXKZRCS-IHRRRGAJSA-N 1 1 313.379 4.073 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C1CCC2(COC2)CC1 ZINC001257911038 1063441251 /nfs/dbraw/zinc/44/12/51/1063441251.db2.gz SCQNNJDGKVGSRE-UHFFFAOYSA-N 1 1 318.848 4.015 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC001473136818 1063443830 /nfs/dbraw/zinc/44/38/30/1063443830.db2.gz KHPJKDISTAUWJO-NRFANRHFSA-N 1 1 309.453 4.068 20 30 DIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CC(C)(C)C ZINC001473146918 1063453390 /nfs/dbraw/zinc/45/33/90/1063453390.db2.gz UCIGRBIUNICBNS-INIZCTEOSA-N 1 1 302.462 4.079 20 30 DIEDMO C=C(C)CC[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001473151032 1063456249 /nfs/dbraw/zinc/45/62/49/1063456249.db2.gz CXJTUAOHKPCPLZ-HXUWFJFHSA-N 1 1 300.490 4.329 20 30 DIEDMO CCCCCCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OCC ZINC001258039469 1063472881 /nfs/dbraw/zinc/47/28/81/1063472881.db2.gz RAXTWMZNFQLWHG-CABCVRRESA-N 1 1 303.512 4.010 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001258047508 1063477306 /nfs/dbraw/zinc/47/73/06/1063477306.db2.gz LICBDBDPXASJPV-MSOLQXFVSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001258044463 1063477353 /nfs/dbraw/zinc/47/73/53/1063477353.db2.gz OLJSRJXZXKZRCS-IHRRRGAJSA-N 1 1 313.379 4.073 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001258045170 1063478152 /nfs/dbraw/zinc/47/81/52/1063478152.db2.gz XWCLLACGCBEFKQ-WMZOPIPTSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001258045169 1063478254 /nfs/dbraw/zinc/47/82/54/1063478254.db2.gz XWCLLACGCBEFKQ-SJLPKXTDSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001258047509 1063478313 /nfs/dbraw/zinc/47/83/13/1063478313.db2.gz LICBDBDPXASJPV-QZTJIDSGSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258047319 1063479333 /nfs/dbraw/zinc/47/93/33/1063479333.db2.gz KICMAOVTTVDSPF-ZDUSSCGKSA-N 1 1 317.399 4.467 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258047319 1063479351 /nfs/dbraw/zinc/47/93/51/1063479351.db2.gz KICMAOVTTVDSPF-ZDUSSCGKSA-N 1 1 317.399 4.467 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCc2onc(COCC)c2C1 ZINC001258046697 1063479562 /nfs/dbraw/zinc/47/95/62/1063479562.db2.gz CNKNLIVVWXQHCA-HNNXBMFYSA-N 1 1 308.466 4.318 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001473173505 1063480065 /nfs/dbraw/zinc/48/00/65/1063480065.db2.gz LPQLYVRWJYHNIA-KDOFPFPSSA-N 1 1 324.399 4.084 20 30 DIEDMO CCCCCCC[C@@H](C)N1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049319 1063480860 /nfs/dbraw/zinc/48/08/60/1063480860.db2.gz FCVLJTZYBMZILD-QUCCMNQESA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@@H](C)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049319 1063480863 /nfs/dbraw/zinc/48/08/63/1063480863.db2.gz FCVLJTZYBMZILD-QUCCMNQESA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048243 1063481053 /nfs/dbraw/zinc/48/10/53/1063481053.db2.gz RVCYWYFITSURMV-QUCCMNQESA-N 1 1 322.537 4.458 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179376 1063484213 /nfs/dbraw/zinc/48/42/13/1063484213.db2.gz DYWOAOBGLKJAPW-CRAIPNDOSA-N 1 1 308.400 4.384 20 30 DIEDMO Cc1cc(Br)ccc1C[N@H+](CCC#N)CC(C)C ZINC001473179205 1063484839 /nfs/dbraw/zinc/48/48/39/1063484839.db2.gz POJXEEWEZXAZCF-UHFFFAOYSA-N 1 1 309.251 4.129 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC001473179494 1063484892 /nfs/dbraw/zinc/48/48/92/1063484892.db2.gz ROXUEHPAQPTHRP-UHFFFAOYSA-N 1 1 309.837 4.305 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001258051845 1063485759 /nfs/dbraw/zinc/48/57/59/1063485759.db2.gz KGHUWXIUMATKCY-HNNXBMFYSA-N 1 1 301.478 4.461 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC=C(C)C)CC2 ZINC001258092895 1063514473 /nfs/dbraw/zinc/51/44/73/1063514473.db2.gz MPIIIXZRBNCCHK-QUCCMNQESA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC=C(C)C)CC2 ZINC001258092894 1063515204 /nfs/dbraw/zinc/51/52/04/1063515204.db2.gz MPIIIXZRBNCCHK-ICSRJNTNSA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC=C(C)C)CCO2 ZINC001258095012 1063518551 /nfs/dbraw/zinc/51/85/51/1063518551.db2.gz WWBKKBMXVXXFAN-HSALFYBXSA-N 1 1 321.505 4.195 20 30 DIEDMO CCCCCCCCC[C@H](C)[NH2+]CC1CCN(C2COC2)CC1 ZINC001258229177 1063567552 /nfs/dbraw/zinc/56/75/52/1063567552.db2.gz NJWVPOATJGKRPW-SFHVURJKSA-N 1 1 324.553 4.216 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001258228804 1063568651 /nfs/dbraw/zinc/56/86/51/1063568651.db2.gz KBIKTARYDCJCAW-MSOLQXFVSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258229968 1063569266 /nfs/dbraw/zinc/56/92/66/1063569266.db2.gz WEADPZDAWGRGLQ-PKOBYXMFSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258229988 1063569542 /nfs/dbraw/zinc/56/95/42/1063569542.db2.gz WVCJAPDWRWQGSZ-RCCFBDPRSA-N 1 1 308.510 4.211 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232377 1063572669 /nfs/dbraw/zinc/57/26/69/1063572669.db2.gz PNDGXNWBJJMBBD-CEXWTWQISA-N 1 1 322.537 4.458 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCCCCCC1)CCO2 ZINC001258243614 1063580346 /nfs/dbraw/zinc/58/03/46/1063580346.db2.gz VBMSBCHRRRVAES-AZUAARDMSA-N 1 1 321.505 4.173 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)C1CCN(c2cccc(F)c2)CC1 ZINC001258425188 1063648167 /nfs/dbraw/zinc/64/81/67/1063648167.db2.gz DKPOVBLGKMWUSF-UHFFFAOYSA-N 1 1 324.443 4.483 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)c(F)c1 ZINC001461676454 1063652832 /nfs/dbraw/zinc/65/28/32/1063652832.db2.gz OFUUAZVTYGTVNI-UHFFFAOYSA-N 1 1 314.307 4.067 20 30 DIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](CC)CCCCC)C2 ZINC001258439379 1063653167 /nfs/dbraw/zinc/65/31/67/1063653167.db2.gz JCIPOGDIHAZNKA-UYAOXDASSA-N 1 1 320.521 4.378 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H](CC)CCCCC)CC2 ZINC001258441396 1063656987 /nfs/dbraw/zinc/65/69/87/1063656987.db2.gz KBJQSZOEVSHATL-AZUAARDMSA-N 1 1 320.521 4.378 20 30 DIEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC001461724780 1063680572 /nfs/dbraw/zinc/68/05/72/1063680572.db2.gz RKUVIPUWMMPTIP-GFCCVEGCSA-N 1 1 302.324 4.149 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562365 1063694072 /nfs/dbraw/zinc/69/40/72/1063694072.db2.gz HQZNFZAFHYTGOZ-OAHLLOKOSA-N 1 1 310.482 4.063 20 30 DIEDMO CCC[C@@H](Cc1ccccc1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258657862 1063727370 /nfs/dbraw/zinc/72/73/70/1063727370.db2.gz VEIHJVWMSRILEG-NRFANRHFSA-N 1 1 304.437 4.328 20 30 DIEDMO 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C#Cc1ccc(C[N@H+](C)Cc2ccc(N(CC)CC)cc2)cc1 ZINC001308645672 1066135506 /nfs/dbraw/zinc/13/55/06/1066135506.db2.gz PXOUXGXATIRHBO-UHFFFAOYSA-N 1 1 306.453 4.146 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC001308650935 1066138242 /nfs/dbraw/zinc/13/82/42/1066138242.db2.gz UYNOVFZVRSJTSD-LSDHHAIUSA-N 1 1 305.849 4.363 20 30 DIEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001308653585 1066139278 /nfs/dbraw/zinc/13/92/78/1066139278.db2.gz GPTNORDZJJTTMS-UHFFFAOYSA-N 1 1 322.452 4.307 20 30 DIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001308658845 1066140846 /nfs/dbraw/zinc/14/08/46/1066140846.db2.gz UIAGCUCHGUENCX-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO C#Cc1cccc(N[C@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC001308668331 1066145564 /nfs/dbraw/zinc/14/55/64/1066145564.db2.gz DJPBWPXJVWUEMT-UWJYYQICSA-N 1 1 304.437 4.133 20 30 DIEDMO C=CC[C@H]([NH2+]C1CCC(C2CCCCC2)CC1)C(=O)OCC ZINC001308739596 1066213298 /nfs/dbraw/zinc/21/32/98/1066213298.db2.gz 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C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000284985936 131127950 /nfs/dbraw/zinc/12/79/50/131127950.db2.gz YFANTFYTCSHSFC-DFBGVHRSSA-N 1 1 309.240 4.135 20 30 DIEDMO C=CC[N@@H+](Cc1cc(C)sc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000520135084 335066058 /nfs/dbraw/zinc/06/60/58/335066058.db2.gz OOJCEIWLLKAUBQ-UHFFFAOYSA-N 1 1 316.426 4.461 20 30 DIEDMO C=CC[N@H+](Cc1cc(C)sc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000520135084 335066060 /nfs/dbraw/zinc/06/60/60/335066060.db2.gz OOJCEIWLLKAUBQ-UHFFFAOYSA-N 1 1 316.426 4.461 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(F)c3Cl)CC2)c1 ZINC000563873467 335085734 /nfs/dbraw/zinc/08/57/34/335085734.db2.gz GMGOYQJXJIJXFV-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000533417840 331524468 /nfs/dbraw/zinc/52/44/68/331524468.db2.gz NWMNACZRMPEOBE-SJORKVTESA-N 1 1 322.452 4.058 20 30 DIEDMO COc1ccc(C[N@@H+](CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000409447360 332032022 /nfs/dbraw/zinc/03/20/22/332032022.db2.gz VGQPNGGNXVMKKR-UHFFFAOYSA-N 1 1 300.446 4.380 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1csc(Br)c1 ZINC000087608586 332034540 /nfs/dbraw/zinc/03/45/40/332034540.db2.gz ZYYVUVZECGDDDG-UHFFFAOYSA-N 1 1 315.280 4.272 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Br)cc1 ZINC000087608527 332034670 /nfs/dbraw/zinc/03/46/70/332034670.db2.gz GECGOVZJQXUFRE-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO CC(C)[N@@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000521195514 332055120 /nfs/dbraw/zinc/05/51/20/332055120.db2.gz DHSWQWQEHIMJDL-PXNSSMCTSA-N 1 1 314.473 4.364 20 30 DIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1c(F)cccc1Cl)CC2 ZINC000569445315 332088052 /nfs/dbraw/zinc/08/80/52/332088052.db2.gz PLDSEXFTUNSFGT-QGZVFWFLSA-N 1 1 300.764 4.128 20 30 DIEDMO COc1ccc(OC)c([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000090665553 332092431 /nfs/dbraw/zinc/09/24/31/332092431.db2.gz UFMHUTWKNIUJGC-HNAYVOBHSA-N 1 1 324.424 4.399 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000091080679 332099313 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C=C(C)C[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000181044675 332173261 /nfs/dbraw/zinc/17/32/61/332173261.db2.gz HVJYNVQYLWZQPZ-UHFFFAOYSA-N 1 1 305.219 4.005 20 30 DIEDMO C=CCC(CC=C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151499132 332203121 /nfs/dbraw/zinc/20/31/21/332203121.db2.gz MOFHQJJEFZZMGR-OAHLLOKOSA-N 1 1 323.440 4.126 20 30 DIEDMO C[C@@H]1SCC[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000560559474 332360021 /nfs/dbraw/zinc/36/00/21/332360021.db2.gz NEZMJHONLDMHGJ-GUYCJALGSA-N 1 1 314.479 4.298 20 30 DIEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000560559474 332360023 /nfs/dbraw/zinc/36/00/23/332360023.db2.gz NEZMJHONLDMHGJ-GUYCJALGSA-N 1 1 314.479 4.298 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCC[C@H]21 ZINC000560621674 332369866 /nfs/dbraw/zinc/36/98/66/332369866.db2.gz YFTUVMRNMSGRDA-MOPGFXCFSA-N 1 1 312.457 4.380 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000153541174 332389746 /nfs/dbraw/zinc/38/97/46/332389746.db2.gz PTIAKGPHGCCRFN-RDTXWAMCSA-N 1 1 312.438 4.376 20 30 DIEDMO COc1cccc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)c1 ZINC000428402674 332591920 /nfs/dbraw/zinc/59/19/20/332591920.db2.gz IKEBQXSIDWQNPA-UHFFFAOYSA-N 1 1 324.399 4.086 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000182624167 333043582 /nfs/dbraw/zinc/04/35/82/333043582.db2.gz ZZLCTIMWGWHUQH-CYBMUJFWSA-N 1 1 306.365 4.164 20 30 DIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000313919179 333077721 /nfs/dbraw/zinc/07/77/21/333077721.db2.gz SSKLRJNAFWAGEQ-CYBMUJFWSA-N 1 1 316.754 4.374 20 30 DIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000313919179 333077722 /nfs/dbraw/zinc/07/77/22/333077722.db2.gz SSKLRJNAFWAGEQ-CYBMUJFWSA-N 1 1 316.754 4.374 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCCSCC#N)o1 ZINC000466742852 333082136 /nfs/dbraw/zinc/08/21/36/333082136.db2.gz HNYPNZUIOKFXND-ZBFHGGJFSA-N 1 1 306.475 4.262 20 30 DIEDMO CC(C)(C#N)CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000174856976 333091842 /nfs/dbraw/zinc/09/18/42/333091842.db2.gz JANQOTWMBAGSCD-UHFFFAOYSA-N 1 1 314.473 4.245 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](C)CO1 ZINC000174876382 333092145 /nfs/dbraw/zinc/09/21/45/333092145.db2.gz ZWQFCUQFGDSBDG-SJLPKXTDSA-N 1 1 300.446 4.087 20 30 DIEDMO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1F ZINC000180262247 333160067 /nfs/dbraw/zinc/16/00/67/333160067.db2.gz GPCHVQRUFVHWRQ-MLGOLLRUSA-N 1 1 307.800 4.209 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594225 333267587 /nfs/dbraw/zinc/26/75/87/333267587.db2.gz SRMRKRYCQJVLGV-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497621242 333270696 /nfs/dbraw/zinc/27/06/96/333270696.db2.gz UMFMCLDDUWVBLE-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000497620498 333270759 /nfs/dbraw/zinc/27/07/59/333270759.db2.gz ZKXSXEHWJYDGTB-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO C=CCC(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000497696077 333279583 /nfs/dbraw/zinc/27/95/83/333279583.db2.gz KFKGRPVIQTTXQY-UHFFFAOYSA-N 1 1 322.537 4.195 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000186449322 335158073 /nfs/dbraw/zinc/15/80/73/335158073.db2.gz YXMAYXYLMMPIFV-SJCJKPOMSA-N 1 1 305.372 4.149 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000186449303 335158100 /nfs/dbraw/zinc/15/81/00/335158100.db2.gz YXMAYXYLMMPIFV-PXAZEXFGSA-N 1 1 305.372 4.149 20 30 DIEDMO C=CC[C@@H](Cc1ccccc1)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000414309669 333937235 /nfs/dbraw/zinc/93/72/35/333937235.db2.gz VJIVCABEEGOSJT-IBGZPJMESA-N 1 1 300.490 4.026 20 30 DIEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000270088294 334007424 /nfs/dbraw/zinc/00/74/24/334007424.db2.gz AGXQONQZHLEZCJ-QGZVFWFLSA-N 1 1 324.472 4.139 20 30 DIEDMO C[C@H](c1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272596709 334037779 /nfs/dbraw/zinc/03/77/79/334037779.db2.gz QINVKJLWYSYXSL-GFCCVEGCSA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@@H]1C[C@@H](Nc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000273769955 334050928 /nfs/dbraw/zinc/05/09/28/334050928.db2.gz QNNREZFMGUVOCB-UTKZUKDTSA-N 1 1 319.452 4.218 20 30 DIEDMO CCn1nc(C[NH2+][C@@H](CCC#N)c2ccccc2)c2ccccc21 ZINC000274479191 334061947 /nfs/dbraw/zinc/06/19/47/334061947.db2.gz XDFCZAKUIQSLJK-SFHVURJKSA-N 1 1 318.424 4.191 20 30 DIEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277830733 334091305 /nfs/dbraw/zinc/09/13/05/334091305.db2.gz WCOWTVFPGHZRDC-NYHFZMIOSA-N 1 1 320.502 4.137 20 30 DIEDMO N#CCSCCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000280253909 334115745 /nfs/dbraw/zinc/11/57/45/334115745.db2.gz OTNPHFXUOFWDKM-UHFFFAOYSA-N 1 1 306.862 4.076 20 30 DIEDMO C[C@H](Nc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280893652 334120772 /nfs/dbraw/zinc/12/07/72/334120772.db2.gz DIMQOXOLRMRWFV-FXAWDEMLSA-N 1 1 319.452 4.075 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151076 334123507 /nfs/dbraw/zinc/12/35/07/334123507.db2.gz BGURKGLWPWDHQW-OAHLLOKOSA-N 1 1 320.864 4.433 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)Cc1ccsc1 ZINC000281321534 334125021 /nfs/dbraw/zinc/12/50/21/334125021.db2.gz LGEVDGCOWUARPP-INIZCTEOSA-N 1 1 320.502 4.102 20 30 DIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282084496 334131190 /nfs/dbraw/zinc/13/11/90/334131190.db2.gz UWCVPKGTLQEPBW-OAHLLOKOSA-N 1 1 320.864 4.433 20 30 DIEDMO C[C@H](c1cccs1)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293293418 334196882 /nfs/dbraw/zinc/19/68/82/334196882.db2.gz ZCZBLQVEFPWGNN-MRXNPFEDSA-N 1 1 314.454 4.242 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000187717541 334269516 /nfs/dbraw/zinc/26/95/16/334269516.db2.gz DZXOZHNDPZLXAG-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@H](c1cccs1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000049726765 334356781 /nfs/dbraw/zinc/35/67/81/334356781.db2.gz WJQPVPGRPHSPPN-CQSZACIVSA-N 1 1 300.427 4.082 20 30 DIEDMO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000188278164 334672185 /nfs/dbraw/zinc/67/21/85/334672185.db2.gz BBDKBCVSPHMUHJ-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO C=C1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000347375183 335491505 /nfs/dbraw/zinc/49/15/05/335491505.db2.gz NZHPMDVAMPJMTM-UHFFFAOYSA-N 1 1 317.230 4.149 20 30 DIEDMO Clc1ccccc1C#CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000536734684 335870570 /nfs/dbraw/zinc/87/05/70/335870570.db2.gz VAAICVXEMRGPBZ-UHFFFAOYSA-N 1 1 324.855 4.041 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000330352795 336176021 /nfs/dbraw/zinc/17/60/21/336176021.db2.gz NTLWUXVERJJSPX-CQSZACIVSA-N 1 1 318.417 4.046 20 30 DIEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695800 336179219 /nfs/dbraw/zinc/17/92/19/336179219.db2.gz VAVBJGNHYZAWJL-NVXWUHKLSA-N 1 1 324.428 4.009 20 30 DIEDMO CC[NH+](CC)[C@H](CN[C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413777 336213779 /nfs/dbraw/zinc/21/37/79/336213779.db2.gz WMZJLUZVYYAMAA-DYESRHJHSA-N 1 1 321.468 4.292 20 30 DIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000532553506 336255354 /nfs/dbraw/zinc/25/53/54/336255354.db2.gz GEQKZAVILHHFRF-SJORKVTESA-N 1 1 322.452 4.058 20 30 DIEDMO CC1(C)CC[C@H]2C[C@H]([NH2+]Cc3nc(C#N)cs3)c3cccc1c32 ZINC000352820405 336256244 /nfs/dbraw/zinc/25/62/44/336256244.db2.gz AJOQOMOTKVBJIJ-LRDDRELGSA-N 1 1 323.465 4.404 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccccc2F)C(C)C)cc1C#N ZINC000532745224 336269254 /nfs/dbraw/zinc/26/92/54/336269254.db2.gz VEZWIVACVFUSKB-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745849 336269386 /nfs/dbraw/zinc/26/93/86/336269386.db2.gz KHJFLLDWKRFMRR-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745849 336269387 /nfs/dbraw/zinc/26/93/87/336269387.db2.gz KHJFLLDWKRFMRR-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440157 336306941 /nfs/dbraw/zinc/30/69/41/336306941.db2.gz UADIMPCRMVWGID-QAPCUYQASA-N 1 1 311.454 4.115 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C#N)cc2)CC1 ZINC000301657314 336321255 /nfs/dbraw/zinc/32/12/55/336321255.db2.gz IMBADTOHMUUJSG-KRWDZBQOSA-N 1 1 311.473 4.039 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C#N)cc2F)cc1 ZINC000301737734 336326591 /nfs/dbraw/zinc/32/65/91/336326591.db2.gz INZXCUMHYWULGU-CYBMUJFWSA-N 1 1 320.371 4.365 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000352885627 336330893 /nfs/dbraw/zinc/33/08/93/336330893.db2.gz OMQLUUBLIIXEJL-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000352885627 336330894 /nfs/dbraw/zinc/33/08/94/336330894.db2.gz OMQLUUBLIIXEJL-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO Cc1[nH+]cn(CCC(C#N)(c2ccccc2)c2ccccc2)c1C ZINC000193068602 336392968 /nfs/dbraw/zinc/39/29/68/336392968.db2.gz LKDPAOKBZAVJAI-UHFFFAOYSA-N 1 1 315.420 4.400 20 30 DIEDMO C=CCc1cc(CNc2cc(C3CC3)cc[nH+]2)cc(OC)c1O ZINC000353079048 336397030 /nfs/dbraw/zinc/39/70/30/336397030.db2.gz JCLHWTUNZLCJIV-UHFFFAOYSA-N 1 1 310.397 4.014 20 30 DIEDMO Cc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000353345463 336412858 /nfs/dbraw/zinc/41/28/58/336412858.db2.gz MSVXSLJQZDLSEQ-ACJLOTCBSA-N 1 1 310.372 4.180 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000358569967 336634970 /nfs/dbraw/zinc/63/49/70/336634970.db2.gz MWFMYLMQGJXVEY-DIFFPNOSSA-N 1 1 314.335 4.011 20 30 DIEDMO CCCCCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376533403 337036104 /nfs/dbraw/zinc/03/61/04/337036104.db2.gz RAWHCARAPRDESF-JKSUJKDBSA-N 1 1 321.465 4.419 20 30 DIEDMO CCCCCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376533403 337036105 /nfs/dbraw/zinc/03/61/05/337036105.db2.gz RAWHCARAPRDESF-JKSUJKDBSA-N 1 1 321.465 4.419 20 30 DIEDMO COc1ccc(C[N@@H+](CCCC#N)C2CCCCC2)cc1OC ZINC000123374756 337045266 /nfs/dbraw/zinc/04/52/66/337045266.db2.gz UFRYAGSRFRLOKW-UHFFFAOYSA-N 1 1 316.445 4.142 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000377510466 337053970 /nfs/dbraw/zinc/05/39/70/337053970.db2.gz GFGNCUCSMHYRLW-OAHLLOKOSA-N 1 1 307.235 4.280 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000180658742 337177180 /nfs/dbraw/zinc/17/71/80/337177180.db2.gz QVFPWDATGLFRJJ-UHFFFAOYSA-N 1 1 319.433 4.390 20 30 DIEDMO CCC(CC)c1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)on1 ZINC000582815255 337191140 /nfs/dbraw/zinc/19/11/40/337191140.db2.gz JIJYBDAFCPOXLT-SFHVURJKSA-N 1 1 309.413 4.227 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@@H](CC)C1 ZINC000582991692 337223115 /nfs/dbraw/zinc/22/31/15/337223115.db2.gz AVKRUKCGTKEOEL-HKUYNNGSSA-N 1 1 319.493 4.047 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(OC)cc1 ZINC000187403282 337265668 /nfs/dbraw/zinc/26/56/68/337265668.db2.gz RZXIOJYJZSDMGE-SFHVURJKSA-N 1 1 314.816 4.461 20 30 DIEDMO C=CCC1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000189013914 337276557 /nfs/dbraw/zinc/27/65/57/337276557.db2.gz HXMWZZMQUXASKY-HNNXBMFYSA-N 1 1 323.440 4.104 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)c1 ZINC000189940557 337283963 /nfs/dbraw/zinc/28/39/63/337283963.db2.gz TTXLROBJNWRLAQ-GOSISDBHSA-N 1 1 314.454 4.353 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)c1 ZINC000189940557 337283964 /nfs/dbraw/zinc/28/39/64/337283964.db2.gz TTXLROBJNWRLAQ-GOSISDBHSA-N 1 1 314.454 4.353 20 30 DIEDMO C[N@H+](CCC#N)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063764028 337289051 /nfs/dbraw/zinc/28/90/51/337289051.db2.gz BRKCMQCXLSEZQK-UHFFFAOYSA-N 1 1 315.392 4.039 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266762 337296474 /nfs/dbraw/zinc/29/64/74/337296474.db2.gz VWTVGYLJKLGZEC-KSSFIOAISA-N 1 1 321.380 4.050 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192358052 337304637 /nfs/dbraw/zinc/30/46/37/337304637.db2.gz GIBOANNOPVOAGM-KRWDZBQOSA-N 1 1 312.800 4.084 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1Cl ZINC000584484998 337349657 /nfs/dbraw/zinc/34/96/57/337349657.db2.gz KMSBCKHXZTUMHG-SJLPKXTDSA-N 1 1 321.848 4.048 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000029825214 337389897 /nfs/dbraw/zinc/38/98/97/337389897.db2.gz CZVNPHMFQPKMNE-KRWDZBQOSA-N 1 1 317.392 4.079 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000532934409 337393949 /nfs/dbraw/zinc/39/39/49/337393949.db2.gz UKVNDLHSFBEBFM-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(C#N)ccc1F ZINC000532934409 337393950 /nfs/dbraw/zinc/39/39/50/337393950.db2.gz UKVNDLHSFBEBFM-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C=C(C)C(C)(C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000425151731 337426133 /nfs/dbraw/zinc/42/61/33/337426133.db2.gz YDENGTJVEOPLQI-UHFFFAOYSA-N 1 1 321.490 4.060 20 30 DIEDMO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3c(Br)cccc23)C1 ZINC000425274840 337446014 /nfs/dbraw/zinc/44/60/14/337446014.db2.gz RSBHFEHCXYMWEA-WDEREUQCSA-N 1 1 316.202 4.101 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248876981 337568138 /nfs/dbraw/zinc/56/81/38/337568138.db2.gz JRFOQYLCTNRIOI-CLCXKQKWSA-N 1 1 310.397 4.050 20 30 DIEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000532958736 337803703 /nfs/dbraw/zinc/80/37/03/337803703.db2.gz YIWBNVSOSXMMSN-KRWDZBQOSA-N 1 1 320.436 4.333 20 30 DIEDMO C[C@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 ZINC000537405667 337933514 /nfs/dbraw/zinc/93/35/14/337933514.db2.gz UARHVSFIKNOXPW-QFYYESIMSA-N 1 1 316.763 4.135 20 30 DIEDMO C=CCOc1cccc(C[N@H+](C)Cc2cccc3[nH]ccc32)c1 ZINC000426405351 338031013 /nfs/dbraw/zinc/03/10/13/338031013.db2.gz QODXOGGBKQREAL-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428203178 338042210 /nfs/dbraw/zinc/04/22/10/338042210.db2.gz GAKGELWACGWOBG-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428203178 338042211 /nfs/dbraw/zinc/04/22/11/338042211.db2.gz GAKGELWACGWOBG-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CCCc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000428202883 338042245 /nfs/dbraw/zinc/04/22/45/338042245.db2.gz FGJCFYNCQNYNSN-UHFFFAOYSA-N 1 1 311.429 4.218 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CCC(C)C)c2ccoc2)CC1 ZINC000428231927 338043474 /nfs/dbraw/zinc/04/34/74/338043474.db2.gz MCLUSKJVYZGYOJ-IBGZPJMESA-N 1 1 304.478 4.387 20 30 DIEDMO C=CC[N@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000428391419 338049951 /nfs/dbraw/zinc/04/99/51/338049951.db2.gz RFPZGDUVMLYEJE-UHFFFAOYSA-N 1 1 308.141 4.086 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)Cc1ccsc1 ZINC000428438291 338051568 /nfs/dbraw/zinc/05/15/68/338051568.db2.gz JTDTWBRULUMMOY-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]32)ccc1OC ZINC000428457323 338052938 /nfs/dbraw/zinc/05/29/38/338052938.db2.gz WQTGNZLIAAQUKB-DLBZAZTESA-N 1 1 301.430 4.025 20 30 DIEDMO Cc1ccc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1C ZINC000428720464 338059547 /nfs/dbraw/zinc/05/95/47/338059547.db2.gz LVXCJDZADSYPGR-HXUWFJFHSA-N 1 1 309.457 4.002 20 30 DIEDMO C=CC[N@@H+](CCC#N)CC/C=C\c1ccc(Br)cc1 ZINC000428881160 338064302 /nfs/dbraw/zinc/06/43/02/338064302.db2.gz NQJCTZKFCNKHBS-UTCJRWHESA-N 1 1 319.246 4.254 20 30 DIEDMO C=CC[N@H+](CCC#N)CC/C=C\c1ccc(Br)cc1 ZINC000428881160 338064303 /nfs/dbraw/zinc/06/43/03/338064303.db2.gz NQJCTZKFCNKHBS-UTCJRWHESA-N 1 1 319.246 4.254 20 30 DIEDMO C[C@@H]1C[C@]1([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428957144 338066553 /nfs/dbraw/zinc/06/65/53/338066553.db2.gz PGPXEKCTSVLTOP-KZULUSFZSA-N 1 1 314.791 4.376 20 30 DIEDMO CC[C@@H]1C[C@]1([NH2+]Cc1cccc(F)c1C#N)c1cccc(C)c1 ZINC000428967720 338067022 /nfs/dbraw/zinc/06/70/22/338067022.db2.gz XZGXPYBKSVFSMV-OXQOHEQNSA-N 1 1 308.400 4.421 20 30 DIEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429059219 338070042 /nfs/dbraw/zinc/07/00/42/338070042.db2.gz KYWLFIATXBERRX-LBPRGKRZSA-N 1 1 317.230 4.336 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429059219 338070043 /nfs/dbraw/zinc/07/00/43/338070043.db2.gz KYWLFIATXBERRX-LBPRGKRZSA-N 1 1 317.230 4.336 20 30 DIEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000429256069 338074911 /nfs/dbraw/zinc/07/49/11/338074911.db2.gz OWXHCYZGVWSMIS-MRXNPFEDSA-N 1 1 317.452 4.056 20 30 DIEDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000430119714 338097778 /nfs/dbraw/zinc/09/77/78/338097778.db2.gz IOXJSQSMDPVAIY-UHFFFAOYSA-N 1 1 308.303 4.111 20 30 DIEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000430119714 338097779 /nfs/dbraw/zinc/09/77/79/338097779.db2.gz IOXJSQSMDPVAIY-UHFFFAOYSA-N 1 1 308.303 4.111 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000430766896 338114338 /nfs/dbraw/zinc/11/43/38/338114338.db2.gz IDEHJYGXCIDPPN-HNNXBMFYSA-N 1 1 300.471 4.371 20 30 DIEDMO CC(C)c1ccc[nH+]c1NCc1ccc(F)c(C#N)c1Cl ZINC000432420701 338155814 /nfs/dbraw/zinc/15/58/14/338155814.db2.gz 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N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccc(F)c2)cc1 ZINC000535804340 1035618587 /nfs/dbraw/zinc/61/85/87/1035618587.db2.gz QCNLXCCXXIJCCM-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO CC[N@@H+](Cc1cccc(N(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000610211602 1035738514 /nfs/dbraw/zinc/73/85/14/1035738514.db2.gz SFDRKJDOPNLELI-INIZCTEOSA-N 1 1 307.441 4.207 20 30 DIEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H](C)CCC ZINC000064806967 1035746982 /nfs/dbraw/zinc/74/69/82/1035746982.db2.gz NABKXCLQJJPSSS-QGZVFWFLSA-N 1 1 321.509 4.010 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217596 1035760749 /nfs/dbraw/zinc/76/07/49/1035760749.db2.gz NJBAHJACFAMDGZ-OXQOHEQNSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000610217596 1035760758 /nfs/dbraw/zinc/76/07/58/1035760758.db2.gz NJBAHJACFAMDGZ-OXQOHEQNSA-N 1 1 306.409 4.001 20 30 DIEDMO C=CC[N@@H+](CCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000063300570 1035930378 /nfs/dbraw/zinc/93/03/78/1035930378.db2.gz WESCKZVVPSTJIX-UHFFFAOYSA-N 1 1 306.409 4.015 20 30 DIEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1 ZINC001208926240 1035949046 /nfs/dbraw/zinc/94/90/46/1035949046.db2.gz LZRQMFNHGVDFAP-LJQANCHMSA-N 1 1 312.363 4.216 20 30 DIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCc2ccccc21 ZINC000179906695 1035991511 /nfs/dbraw/zinc/99/15/11/1035991511.db2.gz LVQGWSHUVQAKCG-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CC1CCCCC1)C1CC1 ZINC001167100562 1036040410 /nfs/dbraw/zinc/04/04/10/1036040410.db2.gz JWCOFRUQKVVSPL-UHFFFAOYSA-N 1 1 313.401 4.011 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CC1CCCCC1)C1CC1 ZINC001167100562 1036040434 /nfs/dbraw/zinc/04/04/34/1036040434.db2.gz JWCOFRUQKVVSPL-UHFFFAOYSA-N 1 1 313.401 4.011 20 30 DIEDMO C=CCCCC[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001209206983 1036058304 /nfs/dbraw/zinc/05/83/04/1036058304.db2.gz FTEORIRBBIDXOA-UHFFFAOYSA-N 1 1 304.453 4.078 20 30 DIEDMO C=CCCCCCCC[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209439725 1036185174 /nfs/dbraw/zinc/18/51/74/1036185174.db2.gz WVBDVWATQWYZKU-WOJBJXKFSA-N 1 1 321.505 4.173 20 30 DIEDMO C=CCCCCCCC[N@H+]1CCC[C@]2(C[C@@H](OCC=C)CO2)C1 ZINC001209439460 1036185771 /nfs/dbraw/zinc/18/57/71/1036185771.db2.gz QOGUSPMRRDBJAO-UXHICEINSA-N 1 1 321.505 4.339 20 30 DIEDMO C=CCCCCCCC[N@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001209442026 1036189075 /nfs/dbraw/zinc/18/90/75/1036189075.db2.gz NTAGROMBANZRLL-UHFFFAOYSA-N 1 1 310.482 4.066 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)CC2CCC2)c1F ZINC001167157283 1036223618 /nfs/dbraw/zinc/22/36/18/1036223618.db2.gz IPFSNIQYVBPNFD-UHFFFAOYSA-N 1 1 308.400 4.500 20 30 DIEDMO Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC001167199247 1036264430 /nfs/dbraw/zinc/26/44/30/1036264430.db2.gz HYYLDBUJIOTAHC-NRFANRHFSA-N 1 1 322.452 4.058 20 30 DIEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000578472268 1036280226 /nfs/dbraw/zinc/28/02/26/1036280226.db2.gz MCGSCDXGISLUPT-QGZVFWFLSA-N 1 1 315.417 4.175 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(-c3ccccc3)on2)cc1 ZINC000236683228 1036301340 /nfs/dbraw/zinc/30/13/40/1036301340.db2.gz PDNDHUNVVRMCKW-UHFFFAOYSA-N 1 1 320.392 4.196 20 30 DIEDMO C=CC[N@H+](CCc1ccc(CC)cc1)Cc1cccc(C#N)c1 ZINC001167251859 1036323905 /nfs/dbraw/zinc/32/39/05/1036323905.db2.gz MDALWHMFBLYRRC-UHFFFAOYSA-N 1 1 304.437 4.351 20 30 DIEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001167307017 1036584776 /nfs/dbraw/zinc/58/47/76/1036584776.db2.gz OJBWIVMZMZDTQV-GOSISDBHSA-N 1 1 313.441 4.178 20 30 DIEDMO C=CCC[C@H]([NH2+][C@@H]1CCOc2c(OC)cccc21)c1ccco1 ZINC000655850402 1036600327 /nfs/dbraw/zinc/60/03/27/1036600327.db2.gz IDQMIGMDRRHVTA-CVEARBPZSA-N 1 1 313.397 4.409 20 30 DIEDMO C[C@H](C[N@H+]1CCCN(c2ccccc2C#N)CC1)CC(C)(C)C ZINC001167318374 1036679924 /nfs/dbraw/zinc/67/99/24/1036679924.db2.gz JQUSDSIAJPQXHR-KRWDZBQOSA-N 1 1 313.489 4.143 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)cc1N)C1CCCCC1 ZINC001140224742 1036870706 /nfs/dbraw/zinc/87/07/06/1036870706.db2.gz DPRIWBUHHSLIRV-UHFFFAOYSA-N 1 1 323.278 4.352 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)cc3)[C@@H](C)CO2)c1 ZINC000610370070 1036913075 /nfs/dbraw/zinc/91/30/75/1036913075.db2.gz PHDONVRYTDBXSD-LAUBAEHRSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)cc3)[C@@H](C)CO2)c1 ZINC000610370070 1036913088 /nfs/dbraw/zinc/91/30/88/1036913088.db2.gz PHDONVRYTDBXSD-LAUBAEHRSA-N 1 1 320.436 4.137 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2cnccc2c1 ZINC000683827441 1036979437 /nfs/dbraw/zinc/97/94/37/1036979437.db2.gz WWFQHZJTYHRTKR-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO C[C@@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624770 1037042015 /nfs/dbraw/zinc/04/20/15/1037042015.db2.gz JUIGJVKVJKFPKH-ZWKOTPCHSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624770 1037042032 /nfs/dbraw/zinc/04/20/32/1037042032.db2.gz JUIGJVKVJKFPKH-ZWKOTPCHSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@@H]([NH2+]CC[C@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624770 1037042047 /nfs/dbraw/zinc/04/20/47/1037042047.db2.gz JUIGJVKVJKFPKH-ZWKOTPCHSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@@H](NCC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624767 1037043113 /nfs/dbraw/zinc/04/31/13/1037043113.db2.gz JUIGJVKVJKFPKH-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624767 1037043134 /nfs/dbraw/zinc/04/31/34/1037043134.db2.gz JUIGJVKVJKFPKH-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@@H]([NH2+]CC[C@@H](C)N(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000379624767 1037043154 /nfs/dbraw/zinc/04/31/54/1037043154.db2.gz JUIGJVKVJKFPKH-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO C[N@@H+](Cc1ccccc1NC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC000580435869 1037134567 /nfs/dbraw/zinc/13/45/67/1037134567.db2.gz MZKFZYDXNPNCPB-QGZVFWFLSA-N 1 1 324.472 4.307 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c(F)c1 ZINC000177859533 1037372400 /nfs/dbraw/zinc/37/24/00/1037372400.db2.gz BOKAWHLOWWKQED-SFHVURJKSA-N 1 1 322.383 4.233 20 30 DIEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001167443261 1037414195 /nfs/dbraw/zinc/41/41/95/1037414195.db2.gz QYNHGZAOJJXBMP-IAGOWNOFSA-N 1 1 318.436 4.113 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC001167461282 1037635842 /nfs/dbraw/zinc/63/58/42/1037635842.db2.gz DRUDDZGICUISMP-UHFFFAOYSA-N 1 1 301.409 4.190 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC001167461778 1037635906 /nfs/dbraw/zinc/63/59/06/1037635906.db2.gz RPQMXQNUFKAZLC-UHFFFAOYSA-N 1 1 308.853 4.265 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC001167464359 1037653818 /nfs/dbraw/zinc/65/38/18/1037653818.db2.gz JYZAJEZTIJXWAC-VQIMIIECSA-N 1 1 320.436 4.253 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)c1C ZINC001167465162 1037669864 /nfs/dbraw/zinc/66/98/64/1037669864.db2.gz VKAJPGLUIYFCDK-LEWJYISDSA-N 1 1 320.436 4.046 20 30 DIEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000276370533 1037754746 /nfs/dbraw/zinc/75/47/46/1037754746.db2.gz GUPWFPLBWXBPRJ-INIZCTEOSA-N 1 1 308.425 4.189 20 30 DIEDMO CCn1cc(C[NH2+]CC2(C#N)CCCCC2)c(-c2ccccc2)n1 ZINC001203156110 1037765174 /nfs/dbraw/zinc/76/51/74/1037765174.db2.gz PUKAMXLJWHDLPI-UHFFFAOYSA-N 1 1 322.456 4.134 20 30 DIEDMO C[N@@H+]1Cc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2C1 ZINC000255332621 1037806213 /nfs/dbraw/zinc/80/62/13/1037806213.db2.gz ZVDPJMDTTKUCSI-UHFFFAOYSA-N 1 1 321.207 4.395 20 30 DIEDMO C[N@H+]1Cc2ccc(N=Cc3cc(Cl)cc(Cl)c3[O-])cc2C1 ZINC000255332621 1037806219 /nfs/dbraw/zinc/80/62/19/1037806219.db2.gz ZVDPJMDTTKUCSI-UHFFFAOYSA-N 1 1 321.207 4.395 20 30 DIEDMO CCC[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(C#N)cc1 ZINC000477158614 1037818407 /nfs/dbraw/zinc/81/84/07/1037818407.db2.gz BLLGDJOFAYJUCT-UHFFFAOYSA-N 1 1 322.456 4.282 20 30 DIEDMO CCC[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc(C#N)cc1 ZINC000477158614 1037818416 /nfs/dbraw/zinc/81/84/16/1037818416.db2.gz BLLGDJOFAYJUCT-UHFFFAOYSA-N 1 1 322.456 4.282 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc2cccnc2o1 ZINC000581647641 1037831218 /nfs/dbraw/zinc/83/12/18/1037831218.db2.gz IEVGJZWMROAYDE-MOPGFXCFSA-N 1 1 317.392 4.100 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc2cccnc2o1 ZINC000581647641 1037831240 /nfs/dbraw/zinc/83/12/40/1037831240.db2.gz IEVGJZWMROAYDE-MOPGFXCFSA-N 1 1 317.392 4.100 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000602431237 1038006428 /nfs/dbraw/zinc/00/64/28/1038006428.db2.gz CNAFHALRLJOTQP-HUUCEWRRSA-N 1 1 313.470 4.416 20 30 DIEDMO CC[N@@H+](Cc1ccc2nccnc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444468 1038010302 /nfs/dbraw/zinc/01/03/02/1038010302.db2.gz NJKQUEGZPMLXBE-HNNXBMFYSA-N 1 1 316.408 4.085 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000602448367 1038011533 /nfs/dbraw/zinc/01/15/33/1038011533.db2.gz GAZXEWCNLKHRBY-CRAIPNDOSA-N 1 1 310.445 4.040 20 30 DIEDMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000602470699 1038017689 /nfs/dbraw/zinc/01/76/89/1038017689.db2.gz CPLPPQAOXYDZPE-CPUCHLNUSA-N 1 1 306.837 4.042 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000602470699 1038017706 /nfs/dbraw/zinc/01/77/06/1038017706.db2.gz CPLPPQAOXYDZPE-CPUCHLNUSA-N 1 1 306.837 4.042 20 30 DIEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000602531585 1038037194 /nfs/dbraw/zinc/03/71/94/1038037194.db2.gz VBNDWHMVHWRTPW-UHFFFAOYSA-N 1 1 318.207 4.039 20 30 DIEDMO Cc1cc(C)c(C#N)c(NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000337730538 1038041843 /nfs/dbraw/zinc/04/18/43/1038041843.db2.gz NUKPJHNWRJZQCN-UHFFFAOYSA-N 1 1 322.456 4.022 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cs1 ZINC000891577254 1038045355 /nfs/dbraw/zinc/04/53/55/1038045355.db2.gz AMXKLRMHTCVEFZ-CQSZACIVSA-N 1 1 323.421 4.141 20 30 DIEDMO Cc1ccccc1C[N@H+](Cc1cccnc1)C[C@H](C)CCC#N ZINC000602654539 1038059406 /nfs/dbraw/zinc/05/94/06/1038059406.db2.gz CSCDIRMBRPXWFG-QGZVFWFLSA-N 1 1 307.441 4.332 20 30 DIEDMO CCCC[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCc2ncsc2C1 ZINC000602701117 1038073198 /nfs/dbraw/zinc/07/31/98/1038073198.db2.gz ASESAWSCYIDTPK-GJZGRUSLSA-N 1 1 305.491 4.042 20 30 DIEDMO Cc1cc([C@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714053 1038076170 /nfs/dbraw/zinc/07/61/70/1038076170.db2.gz SJELFNRZHNDBBA-JSGCOSHPSA-N 1 1 306.837 4.083 20 30 DIEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000602817027 1038094144 /nfs/dbraw/zinc/09/41/44/1038094144.db2.gz WERQXHNGQRCOLS-GOSISDBHSA-N 1 1 320.440 4.298 20 30 DIEDMO N#CCC1(C[N@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000602817027 1038094166 /nfs/dbraw/zinc/09/41/66/1038094166.db2.gz WERQXHNGQRCOLS-GOSISDBHSA-N 1 1 320.440 4.298 20 30 DIEDMO CC[N@@H+](Cc1cnn(C2CCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657645 1038110379 /nfs/dbraw/zinc/11/03/79/1038110379.db2.gz YGAGDBCLBCXOFH-HNNXBMFYSA-N 1 1 308.429 4.063 20 30 DIEDMO Cc1nc2ccccc2n1CCCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602982335 1038115685 /nfs/dbraw/zinc/11/56/85/1038115685.db2.gz QULNDKMZTQFVBD-MJGOQNOKSA-N 1 1 324.472 4.139 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594468 1038129642 /nfs/dbraw/zinc/12/96/42/1038129642.db2.gz KKSIBAHMVDHBNC-DYVFJYSZSA-N 1 1 320.864 4.166 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598594711 1038129962 /nfs/dbraw/zinc/12/99/62/1038129962.db2.gz IFGMPFFEELHRGL-ZQIUZPCESA-N 1 1 322.880 4.065 20 30 DIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593784 1038130468 /nfs/dbraw/zinc/13/04/68/1038130468.db2.gz WAEZEEJZZPKIAC-WBVHZDCISA-N 1 1 318.461 4.060 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2scnc21 ZINC000599050129 1038222394 /nfs/dbraw/zinc/22/23/94/1038222394.db2.gz WIDUJXMAIUJSHB-CVEARBPZSA-N 1 1 309.438 4.059 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000599303946 1038268846 /nfs/dbraw/zinc/26/88/46/1038268846.db2.gz IHEDNFVEHUIWHU-RTWAWAEBSA-N 1 1 315.420 4.138 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000599303946 1038268857 /nfs/dbraw/zinc/26/88/57/1038268857.db2.gz IHEDNFVEHUIWHU-RTWAWAEBSA-N 1 1 315.420 4.138 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(O)ccc3Cl)CCC2)cc1 ZINC000599454575 1038285076 /nfs/dbraw/zinc/28/50/76/1038285076.db2.gz RDMZFWXBIPSYGB-UHFFFAOYSA-N 1 1 312.800 4.086 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000610770881 1038300634 /nfs/dbraw/zinc/30/06/34/1038300634.db2.gz RMLZLGFRUCBTMX-SFHVURJKSA-N 1 1 317.392 4.427 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000610770881 1038300644 /nfs/dbraw/zinc/30/06/44/1038300644.db2.gz RMLZLGFRUCBTMX-SFHVURJKSA-N 1 1 317.392 4.427 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)cc3)cc2)C1 ZINC000603856038 1038302162 /nfs/dbraw/zinc/30/21/62/1038302162.db2.gz SUBMWXYHIMGEHG-QGZVFWFLSA-N 1 1 319.452 4.402 20 30 DIEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1F ZINC000603854098 1038303491 /nfs/dbraw/zinc/30/34/91/1038303491.db2.gz VTEXQPNUZRVEMR-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1F ZINC000603854098 1038303498 /nfs/dbraw/zinc/30/34/98/1038303498.db2.gz VTEXQPNUZRVEMR-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000535723371 1038320867 /nfs/dbraw/zinc/32/08/67/1038320867.db2.gz KVSSRANEIUNZQN-HOTGVXAUSA-N 1 1 302.462 4.425 20 30 DIEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000599628990 1038322751 /nfs/dbraw/zinc/32/27/51/1038322751.db2.gz WNVLZUGEXJSPEA-JTQLQIEISA-N 1 1 318.289 4.197 20 30 DIEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000599628990 1038322765 /nfs/dbraw/zinc/32/27/65/1038322765.db2.gz WNVLZUGEXJSPEA-JTQLQIEISA-N 1 1 318.289 4.197 20 30 DIEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000599628991 1038323925 /nfs/dbraw/zinc/32/39/25/1038323925.db2.gz WNVLZUGEXJSPEA-SNVBAGLBSA-N 1 1 318.289 4.197 20 30 DIEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000599628991 1038323939 /nfs/dbraw/zinc/32/39/39/1038323939.db2.gz WNVLZUGEXJSPEA-SNVBAGLBSA-N 1 1 318.289 4.197 20 30 DIEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677006 1038332614 /nfs/dbraw/zinc/33/26/14/1038332614.db2.gz GEIZEACPENTTFU-RDTXWAMCSA-N 1 1 324.399 4.256 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1F ZINC000669707596 1038338983 /nfs/dbraw/zinc/33/89/83/1038338983.db2.gz LEGJPIQNOBZSPS-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)c1F ZINC000669707596 1038339001 /nfs/dbraw/zinc/33/90/01/1038339001.db2.gz LEGJPIQNOBZSPS-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000926317900 1038410185 /nfs/dbraw/zinc/41/01/85/1038410185.db2.gz RYPCTOAGWFNZNJ-IUCAKERBSA-N 1 1 305.369 4.141 20 30 DIEDMO CCCCC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610991280 1038419061 /nfs/dbraw/zinc/41/90/61/1038419061.db2.gz HRGGGFAKXXCUAB-UHFFFAOYSA-N 1 1 311.404 4.285 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604520677 1038420149 /nfs/dbraw/zinc/42/01/49/1038420149.db2.gz BBHXJLUVVOMZNL-RTWAWAEBSA-N 1 1 320.436 4.158 20 30 DIEDMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991381 1038420437 /nfs/dbraw/zinc/42/04/37/1038420437.db2.gz BOCCPUQWVSMRQO-FQEVSTJZSA-N 1 1 321.424 4.079 20 30 DIEDMO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC000610993545 1038424529 /nfs/dbraw/zinc/42/45/29/1038424529.db2.gz XAEFXOSYEDWDIR-HXUWFJFHSA-N 1 1 305.425 4.379 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC001167499551 1038454246 /nfs/dbraw/zinc/45/42/46/1038454246.db2.gz KXKOMNKDZHAVJH-JXFKEZNVSA-N 1 1 320.436 4.192 20 30 DIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000538395939 1038469731 /nfs/dbraw/zinc/46/97/31/1038469731.db2.gz TYLJMIQSVRDAAC-IAGOWNOFSA-N 1 1 313.489 4.109 20 30 DIEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000538395939 1038469735 /nfs/dbraw/zinc/46/97/35/1038469735.db2.gz TYLJMIQSVRDAAC-IAGOWNOFSA-N 1 1 313.489 4.109 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001167526177 1038547612 /nfs/dbraw/zinc/54/76/12/1038547612.db2.gz RQVJNQNIOFDNNN-UHFFFAOYSA-N 1 1 310.526 4.458 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC001167533610 1038553525 /nfs/dbraw/zinc/55/35/25/1038553525.db2.gz HWIWACOGTHZQEZ-KUHUBIRLSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC001167533609 1038553597 /nfs/dbraw/zinc/55/35/97/1038553597.db2.gz HWIWACOGTHZQEZ-IFXJQAMLSA-N 1 1 324.399 4.289 20 30 DIEDMO CC[N@@H+](Cc1ccc(COC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119859314 1038587366 /nfs/dbraw/zinc/58/73/66/1038587366.db2.gz WEQHJTNWRNHTJN-INIZCTEOSA-N 1 1 308.425 4.288 20 30 DIEDMO CC[N@@H+](Cc1cnc2cc(C)ccn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000119860516 1038587959 /nfs/dbraw/zinc/58/79/59/1038587959.db2.gz BVLVHYSSBIKTEB-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO CC[N@@H+](Cc1cnc2c(C)cccn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000119870249 1038588863 /nfs/dbraw/zinc/58/88/63/1038588863.db2.gz QAWRXNRSVINNBC-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1C#N ZINC000582140032 1038594874 /nfs/dbraw/zinc/59/48/74/1038594874.db2.gz PZCQNWFIQWCHMH-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1C#N ZINC000582140032 1038594881 /nfs/dbraw/zinc/59/48/81/1038594881.db2.gz PZCQNWFIQWCHMH-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO CCOc1cccc(Cl)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000593970987 1038597253 /nfs/dbraw/zinc/59/72/53/1038597253.db2.gz BJYVDQIGGNTOIM-CYBMUJFWSA-N 1 1 314.816 4.461 20 30 DIEDMO C=CCC[N@@H+]1CCC[C@H]1c1cc(Br)ccc1OC ZINC000606897325 1038638610 /nfs/dbraw/zinc/63/86/10/1038638610.db2.gz PEVLIYKOAGVJIF-AWEZNQCLSA-N 1 1 310.235 4.171 20 30 DIEDMO FC(F)(F)CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000607151065 1038659858 /nfs/dbraw/zinc/65/98/58/1038659858.db2.gz OGOKMUXRVFYJSP-RNFRBKRXSA-N 1 1 317.195 4.002 20 30 DIEDMO COc1cc(C[N@@H+](C)CC2CCC(C#N)CC2)ccc1SC ZINC000929414452 1038767589 /nfs/dbraw/zinc/76/75/89/1038767589.db2.gz ADZHSPPTICKGOG-UHFFFAOYSA-N 1 1 318.486 4.179 20 30 DIEDMO C=CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000063763520 1038838679 /nfs/dbraw/zinc/83/86/79/1038838679.db2.gz ATBXRHZLKNRBBV-UHFFFAOYSA-N 1 1 302.393 4.311 20 30 DIEDMO CC(C)[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(C#N)cc1 ZINC000063750676 1038840191 /nfs/dbraw/zinc/84/01/91/1038840191.db2.gz DHSWQWQEHIMJDL-FXAWDEMLSA-N 1 1 314.473 4.364 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000342823024 1038877879 /nfs/dbraw/zinc/87/78/79/1038877879.db2.gz MHTAMTUFSMPFJN-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO CCCC[N@H+]1Cc2cccc(N[C@H](C#N)Cc3ccccc3)c2C1 ZINC000608980669 1038950282 /nfs/dbraw/zinc/95/02/82/1038950282.db2.gz FIWSPMPEZOFFMV-IBGZPJMESA-N 1 1 319.452 4.349 20 30 DIEDMO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)cc1C#N ZINC001167622137 1038953279 /nfs/dbraw/zinc/95/32/79/1038953279.db2.gz VKKXERVUCRIVCF-PXNSSMCTSA-N 1 1 304.437 4.320 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329302 1039027964 /nfs/dbraw/zinc/02/79/64/1039027964.db2.gz XTEBBPPTMOMSMP-ZDUSSCGKSA-N 1 1 310.844 4.170 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000534342012 1039030145 /nfs/dbraw/zinc/03/01/45/1039030145.db2.gz OZHMYUOSUBTTCT-UHFFFAOYSA-N 1 1 318.424 4.150 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000534342012 1039030165 /nfs/dbraw/zinc/03/01/65/1039030165.db2.gz OZHMYUOSUBTTCT-UHFFFAOYSA-N 1 1 318.424 4.150 20 30 DIEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000442688457 1039121818 /nfs/dbraw/zinc/12/18/18/1039121818.db2.gz LDVMCBONJWBHIH-OAHLLOKOSA-N 1 1 306.409 4.076 20 30 DIEDMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)ccc1C#N ZINC000442889658 1039242357 /nfs/dbraw/zinc/24/23/57/1039242357.db2.gz LBQHXSGWXDORIR-KRWDZBQOSA-N 1 1 310.397 4.277 20 30 DIEDMO C=CCOc1c(Cl)cc(C[NH2+]Cc2occc2C)cc1OC ZINC000623530841 1039266255 /nfs/dbraw/zinc/26/62/55/1039266255.db2.gz QTQDDGKRUWWLEB-UHFFFAOYSA-N 1 1 321.804 4.105 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882654 1039267062 /nfs/dbraw/zinc/26/70/62/1039267062.db2.gz BMKBXHVSXAHUMN-QGZVFWFLSA-N 1 1 302.462 4.309 20 30 DIEDMO N#CC1(C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000539490854 1039270951 /nfs/dbraw/zinc/27/09/51/1039270951.db2.gz HIDFJSMGDSOSFN-SFHVURJKSA-N 1 1 312.363 4.142 20 30 DIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000539608989 1039297903 /nfs/dbraw/zinc/29/79/03/1039297903.db2.gz GXUWFFNATJEBPB-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000539719996 1039324836 /nfs/dbraw/zinc/32/48/36/1039324836.db2.gz RRXFHJSMUVNCDR-UHFFFAOYSA-N 1 1 324.399 4.181 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000539818417 1039343447 /nfs/dbraw/zinc/34/34/47/1039343447.db2.gz YMQZJPCJRROIAF-KRWDZBQOSA-N 1 1 323.436 4.250 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000539822871 1039354125 /nfs/dbraw/zinc/35/41/25/1039354125.db2.gz VQCFZTUVZWUZCU-OCCSQVGLSA-N 1 1 300.402 4.137 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000539861959 1039374472 /nfs/dbraw/zinc/37/44/72/1039374472.db2.gz CDOKDWIPJLTXSK-MRXNPFEDSA-N 1 1 320.436 4.486 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000539861959 1039374487 /nfs/dbraw/zinc/37/44/87/1039374487.db2.gz CDOKDWIPJLTXSK-MRXNPFEDSA-N 1 1 320.436 4.486 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1F ZINC000540338638 1039481245 /nfs/dbraw/zinc/48/12/45/1039481245.db2.gz SLNWGUZSGGCMTC-SFHVURJKSA-N 1 1 312.363 4.044 20 30 DIEDMO Fc1ccc(C#CC[NH2+][C@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000540375901 1039484487 /nfs/dbraw/zinc/48/44/87/1039484487.db2.gz LNSHZYVRSOTNAN-QGZVFWFLSA-N 1 1 321.317 4.461 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350178 1039484697 /nfs/dbraw/zinc/48/46/97/1039484697.db2.gz LMRCGFMTXCSGDV-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC000353421932 1039525556 /nfs/dbraw/zinc/52/55/56/1039525556.db2.gz LTIDRPBKNWSUSD-UHFFFAOYSA-N 1 1 318.461 4.164 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC000353421932 1039525575 /nfs/dbraw/zinc/52/55/75/1039525575.db2.gz LTIDRPBKNWSUSD-UHFFFAOYSA-N 1 1 318.461 4.164 20 30 DIEDMO CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C(F)(F)F ZINC000595454442 1039583970 /nfs/dbraw/zinc/58/39/70/1039583970.db2.gz KTXGGWBIPRLMGU-HNNXBMFYSA-N 1 1 310.363 4.011 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3ccsc3)CC2)cc1 ZINC000541205197 1039634189 /nfs/dbraw/zinc/63/41/89/1039634189.db2.gz RUFDPNHWLLHRCN-UHFFFAOYSA-N 1 1 308.450 4.342 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326052 1039664446 /nfs/dbraw/zinc/66/44/46/1039664446.db2.gz SXBDZHFJVDGBKK-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135208438 1039666490 /nfs/dbraw/zinc/66/64/90/1039666490.db2.gz BNJGQKJZTRZIPT-SFHVURJKSA-N 1 1 314.473 4.269 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000541643898 1039723323 /nfs/dbraw/zinc/72/33/23/1039723323.db2.gz JLSSDPXRODELEK-HNNXBMFYSA-N 1 1 317.392 4.258 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H]2C ZINC000541922198 1039758682 /nfs/dbraw/zinc/75/86/82/1039758682.db2.gz QPRZEUKVSCCBLI-LSDHHAIUSA-N 1 1 306.409 4.075 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1cccc(C#N)c1)[C@@H]2C ZINC000541922197 1039762824 /nfs/dbraw/zinc/76/28/24/1039762824.db2.gz QPRZEUKVSCCBLI-HUUCEWRRSA-N 1 1 306.409 4.075 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC(F)F)cc1 ZINC000491357144 1039838282 /nfs/dbraw/zinc/83/82/82/1039838282.db2.gz WHNKSNYBASGAEB-UHFFFAOYSA-N 1 1 307.340 4.112 20 30 DIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150819 1039871526 /nfs/dbraw/zinc/87/15/26/1039871526.db2.gz CEIOPVPJNFVHAF-IFXJQAMLSA-N 1 1 306.409 4.439 20 30 DIEDMO C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492329137 1039951524 /nfs/dbraw/zinc/95/15/24/1039951524.db2.gz LILUBLLKBSNGKO-BJLQDIEVSA-N 1 1 300.490 4.231 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)c(C#N)c1 ZINC000492421986 1039963267 /nfs/dbraw/zinc/96/32/67/1039963267.db2.gz JJRSGZNSFJSGRH-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000198226327 1039970582 /nfs/dbraw/zinc/97/05/82/1039970582.db2.gz OCLSWIHPLBZOPM-ZDUSSCGKSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000198226327 1039970593 /nfs/dbraw/zinc/97/05/93/1039970593.db2.gz OCLSWIHPLBZOPM-ZDUSSCGKSA-N 1 1 307.422 4.361 20 30 DIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000492635141 1039988935 /nfs/dbraw/zinc/98/89/35/1039988935.db2.gz YFILQPWWVHXGHH-CZUORRHYSA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000492635138 1039990152 /nfs/dbraw/zinc/99/01/52/1039990152.db2.gz YFILQPWWVHXGHH-BBRMVZONSA-N 1 1 319.246 4.085 20 30 DIEDMO Cc1cc(C[NH2+]CC(C)(C)N[C@H](C)c2ccccc2)ccc1C#N ZINC000443992684 1040006571 /nfs/dbraw/zinc/00/65/71/1040006571.db2.gz XOOUDGJEMUGTJL-QGZVFWFLSA-N 1 1 321.468 4.086 20 30 DIEDMO Cc1cc(CNc2ccc3c(c2)[nH+]c(C2CC2)n3C)ccc1C#N ZINC000444000137 1040013993 /nfs/dbraw/zinc/01/39/93/1040013993.db2.gz DBKUQEMKQXYHNX-UHFFFAOYSA-N 1 1 316.408 4.243 20 30 DIEDMO C=CC[N@@H+](Cc1csc([C@@H](C)OC)n1)CC1CCCCC1 ZINC000175225150 1040016855 /nfs/dbraw/zinc/01/68/55/1040016855.db2.gz YZLWLRQJFDSPBU-CQSZACIVSA-N 1 1 308.491 4.419 20 30 DIEDMO C=CC[N@H+](Cc1csc([C@@H](C)OC)n1)CC1CCCCC1 ZINC000175225150 1040016876 /nfs/dbraw/zinc/01/68/76/1040016876.db2.gz 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COc1ccc(C[NH2+][C@H](C)c2c(F)cccc2Cl)cc1C#N ZINC000177714058 1040755448 /nfs/dbraw/zinc/75/54/48/1040755448.db2.gz PJEIPFBUCIPSGL-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000661378324 1040773668 /nfs/dbraw/zinc/77/36/68/1040773668.db2.gz CSTBVDODRSYBAY-GOSISDBHSA-N 1 1 314.473 4.310 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000613044458 1040774111 /nfs/dbraw/zinc/77/41/11/1040774111.db2.gz NDKAWCLRFTVSND-GOSISDBHSA-N 1 1 312.388 4.187 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2cccc3ccccc32)c(C#N)c1 ZINC001137703866 1040779115 /nfs/dbraw/zinc/77/91/15/1040779115.db2.gz XCBAYNBRDKCCAZ-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000066420945 1040833735 /nfs/dbraw/zinc/83/37/35/1040833735.db2.gz NRAZFBCTSNIMNX-ZDUSSCGKSA-N 1 1 316.351 4.353 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000580919703 1040838748 /nfs/dbraw/zinc/83/87/48/1040838748.db2.gz WLPPMOLLHGJYBO-LJQANCHMSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000581452528 1040858613 /nfs/dbraw/zinc/85/86/13/1040858613.db2.gz ZGHFOUABDVYNIZ-IBGZPJMESA-N 1 1 324.424 4.159 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000170695176 1041012963 /nfs/dbraw/zinc/01/29/63/1041012963.db2.gz JOYJEDVSDWPUAU-UHFFFAOYSA-N 1 1 317.458 4.075 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2cc3c(s2)CCCC3)o1 ZINC000170695176 1041012968 /nfs/dbraw/zinc/01/29/68/1041012968.db2.gz JOYJEDVSDWPUAU-UHFFFAOYSA-N 1 1 317.458 4.075 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(C#N)c3F)C2)c1 ZINC000452019238 1041024874 /nfs/dbraw/zinc/02/48/74/1041024874.db2.gz PPIFSBGWTOSVRL-IYARVYRRSA-N 1 1 324.399 4.084 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000053135082 1041052105 /nfs/dbraw/zinc/05/21/05/1041052105.db2.gz RJLFFOBUMJCJJN-UHFFFAOYSA-N 1 1 317.864 4.210 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000809559309 1041192274 /nfs/dbraw/zinc/19/22/74/1041192274.db2.gz MPRKICAKGNVPED-YADHBBJMSA-N 1 1 319.448 4.268 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000809594484 1041196349 /nfs/dbraw/zinc/19/63/49/1041196349.db2.gz XNXXDDWIKJFEJH-UXHICEINSA-N 1 1 323.436 4.129 20 30 DIEDMO C#C[C@H](C)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000809682877 1041223290 /nfs/dbraw/zinc/22/32/90/1041223290.db2.gz GZAPQJGAIVGEJI-VIFPVBQESA-N 1 1 311.237 4.228 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cc(C#N)cs1)[C@@H]2C ZINC000540994714 1041225160 /nfs/dbraw/zinc/22/51/60/1041225160.db2.gz GYPLPLJKMWXJHK-QWHCGFSZSA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cc(C#N)cs1)[C@@H]2C ZINC000540994714 1041225175 /nfs/dbraw/zinc/22/51/75/1041225175.db2.gz GYPLPLJKMWXJHK-QWHCGFSZSA-N 1 1 312.438 4.136 20 30 DIEDMO C#C[C@@H](C)[NH2+]Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000809682876 1041225443 /nfs/dbraw/zinc/22/54/43/1041225443.db2.gz GZAPQJGAIVGEJI-SECBINFHSA-N 1 1 311.237 4.228 20 30 DIEDMO C#Cc1ccc(C[N@H+](CC(=C)C)Cc2cnn(C(C)C)c2)cc1 ZINC000809705249 1041226003 /nfs/dbraw/zinc/22/60/03/1041226003.db2.gz PVVQUDGPPFLQJF-UHFFFAOYSA-N 1 1 307.441 4.024 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(C)c1O ZINC000809705371 1041228931 /nfs/dbraw/zinc/22/89/31/1041228931.db2.gz RXEGVEAOKKZEMM-UHFFFAOYSA-N 1 1 313.445 4.056 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000809718429 1041233287 /nfs/dbraw/zinc/23/32/87/1041233287.db2.gz UHDOJUKDCDNARX-UHFFFAOYSA-N 1 1 318.420 4.005 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc2ccccc2o1 ZINC000810144360 1041321196 /nfs/dbraw/zinc/32/11/96/1041321196.db2.gz WTLQWNRLFNFROT-KRWDZBQOSA-N 1 1 311.410 4.248 20 30 DIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccc(C#N)c1 ZINC000747629142 1041436092 /nfs/dbraw/zinc/43/60/92/1041436092.db2.gz DTQGZRVQMCQIIT-UHFFFAOYSA-N 1 1 320.440 4.114 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccccc1 ZINC000811485368 1041521388 /nfs/dbraw/zinc/52/13/88/1041521388.db2.gz HFVCRGFWECYNRF-AWEZNQCLSA-N 1 1 305.208 4.243 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@H](C#C)c2ccc(Cl)cc2)cc1 ZINC000811516596 1041529988 /nfs/dbraw/zinc/52/99/88/1041529988.db2.gz QOFFRDIMISMSLM-HXUWFJFHSA-N 1 1 323.823 4.206 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)cc1 ZINC000811507653 1041533736 /nfs/dbraw/zinc/53/37/36/1041533736.db2.gz KBBHPGXEEHGMKT-UHFFFAOYSA-N 1 1 304.418 4.081 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2coc(C)n2)C(C)(C)C)cc1 ZINC000660005341 1041580303 /nfs/dbraw/zinc/58/03/03/1041580303.db2.gz HLYBQKQEIXLNGQ-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2coc(C)n2)C(C)(C)C)cc1 ZINC000660005341 1041580311 /nfs/dbraw/zinc/58/03/11/1041580311.db2.gz HLYBQKQEIXLNGQ-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO N#CCC1CC[NH+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143505770 1041600434 /nfs/dbraw/zinc/60/04/34/1041600434.db2.gz NBEJGUWZXUIBLI-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000812494346 1041626658 /nfs/dbraw/zinc/62/66/58/1041626658.db2.gz JRBFKNILDWWHSX-ROUUACIJSA-N 1 1 323.525 4.027 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC001170680779 1041631752 /nfs/dbraw/zinc/63/17/52/1041631752.db2.gz JEUNHTQYXDTWJI-IBGZPJMESA-N 1 1 308.400 4.249 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000584687749 1041642622 /nfs/dbraw/zinc/64/26/22/1041642622.db2.gz LUECFJVYIXMHSE-IPMKNSEASA-N 1 1 308.450 4.388 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812793835 1041651134 /nfs/dbraw/zinc/65/11/34/1041651134.db2.gz HCNYTOKNGNIMQL-INIZCTEOSA-N 1 1 323.289 4.188 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000812793446 1041651209 /nfs/dbraw/zinc/65/12/09/1041651209.db2.gz ULSUOIWVLVXQPC-CYBMUJFWSA-N 1 1 324.218 4.114 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2nc(C)ccc2c1)c1ccc(F)cc1 ZINC000812794284 1041651360 /nfs/dbraw/zinc/65/13/60/1041651360.db2.gz XUZZHWNPVLDWHQ-LJQANCHMSA-N 1 1 304.368 4.146 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812849050 1041656532 /nfs/dbraw/zinc/65/65/32/1041656532.db2.gz FWBNNIWGGLXYIW-WMZOPIPTSA-N 1 1 302.462 4.150 20 30 DIEDMO C#CC1CC[NH+](Cc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC001143508817 1041718930 /nfs/dbraw/zinc/71/89/30/1041718930.db2.gz SYNODDIGAYHBMH-UHFFFAOYSA-N 1 1 301.739 4.204 20 30 DIEDMO C=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998015 1041747554 /nfs/dbraw/zinc/74/75/54/1041747554.db2.gz UJXJUUJYMDHMGL-KNQAVFIVSA-N 1 1 320.480 4.200 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)nc1 ZINC000566806044 1041807712 /nfs/dbraw/zinc/80/77/12/1041807712.db2.gz WNAVKLLPXMWHMW-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO C=CCC[C@H](Nc1cncc(-n2cc[nH+]c2C)n1)c1ccccc1 ZINC000092923672 1041809644 /nfs/dbraw/zinc/80/96/44/1041809644.db2.gz ROIQKRCLXQWXGC-KRWDZBQOSA-N 1 1 319.412 4.090 20 30 DIEDMO CCC(=[NH+]Nc1cccc(OC)c1)c1ccc(Cl)c(N)c1 ZINC000814776842 1041862836 /nfs/dbraw/zinc/86/28/36/1041862836.db2.gz FXBDHNCFKZOJGV-UHFFFAOYSA-N 1 1 303.793 4.157 20 30 DIEDMO CCC(=[NH+]Nc1ccc(OC(F)F)cc1)c1cccc(N)c1 ZINC000814828423 1041871909 /nfs/dbraw/zinc/87/19/09/1041871909.db2.gz BRGTXIHSJUNOTC-UHFFFAOYSA-N 1 1 305.328 4.096 20 30 DIEDMO COc1ccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)cc1Cl ZINC000814902144 1041885952 /nfs/dbraw/zinc/88/59/52/1041885952.db2.gz GBKLXDFXYBYHEJ-UHFFFAOYSA-N 1 1 324.211 4.420 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001134838121 1041907819 /nfs/dbraw/zinc/90/78/19/1041907819.db2.gz MWLCBZYDLGIXNA-IBGZPJMESA-N 1 1 320.436 4.180 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1 ZINC000815160976 1041922735 /nfs/dbraw/zinc/92/27/35/1041922735.db2.gz TZUZNCGTAGXIEB-AWEZNQCLSA-N 1 1 307.397 4.252 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000661378248 1041929196 /nfs/dbraw/zinc/92/91/96/1041929196.db2.gz BDCUYNFHFVPLON-KRWDZBQOSA-N 1 1 314.473 4.345 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1ccc(C#N)cc1 ZINC000093401121 1041982639 /nfs/dbraw/zinc/98/26/39/1041982639.db2.gz MNMXHYHKHWKJDH-OLZOCXBDSA-N 1 1 311.454 4.305 20 30 DIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111247 1042001072 /nfs/dbraw/zinc/00/10/72/1042001072.db2.gz XLRFTNGTKKQDBT-OAHLLOKOSA-N 1 1 322.374 4.405 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000816456844 1042054287 /nfs/dbraw/zinc/05/42/87/1042054287.db2.gz OVUCRJAGOGRILP-YQVWRLOYSA-N 1 1 315.457 4.043 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000662078898 1042057524 /nfs/dbraw/zinc/05/75/24/1042057524.db2.gz DOZRUPFBOBXLAK-GASCZTMLSA-N 1 1 315.804 4.073 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662080056 1042057588 /nfs/dbraw/zinc/05/75/88/1042057588.db2.gz MNTLCLQGQGNXTF-BMFZPTHFSA-N 1 1 318.848 4.158 20 30 DIEDMO COC[C@@H](C)[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599681172 1042077010 /nfs/dbraw/zinc/07/70/10/1042077010.db2.gz DCKDQRMZMQEKNO-VQIMIIECSA-N 1 1 314.473 4.341 20 30 DIEDMO CC(C)C#CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000820698431 1042224756 /nfs/dbraw/zinc/22/47/56/1042224756.db2.gz AMDBNDVXCAEEQN-UHFFFAOYSA-N 1 1 312.457 4.049 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@H+](Cc1ccnc(C#N)c1)CC(C)C ZINC000585754781 1042242723 /nfs/dbraw/zinc/24/27/23/1042242723.db2.gz KFRBDCFYHHMDQC-QGZVFWFLSA-N 1 1 307.441 4.481 20 30 DIEDMO C=CCCCCCCC[N@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001279272632 1042284706 /nfs/dbraw/zinc/28/47/06/1042284706.db2.gz VVQNPIPNSTVYKV-AZUAARDMSA-N 1 1 315.505 4.047 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162692964 1042294293 /nfs/dbraw/zinc/29/42/93/1042294293.db2.gz NFBYBWZOFDRCBB-WMLDXEAASA-N 1 1 312.438 4.376 20 30 DIEDMO N#Cc1ccc(C[N@H+](CC[C@H]2CC2(Cl)Cl)C2CC2)cc1 ZINC000822592998 1042295304 /nfs/dbraw/zinc/29/53/04/1042295304.db2.gz NYOCPYXHRWDWGE-AWEZNQCLSA-N 1 1 309.240 4.107 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3occc3c2)C2CC2)cc1 ZINC000572046664 1042303282 /nfs/dbraw/zinc/30/32/82/1042303282.db2.gz NZZUBBXZXSDRTM-UHFFFAOYSA-N 1 1 302.377 4.469 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181796 1042307032 /nfs/dbraw/zinc/30/70/32/1042307032.db2.gz KWUNCLHHTKGWFM-RTWAWAEBSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181796 1042307039 /nfs/dbraw/zinc/30/70/39/1042307039.db2.gz KWUNCLHHTKGWFM-RTWAWAEBSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181776 1042307569 /nfs/dbraw/zinc/30/75/69/1042307569.db2.gz KWUNCLHHTKGWFM-LEWJYISDSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181776 1042307572 /nfs/dbraw/zinc/30/75/72/1042307572.db2.gz KWUNCLHHTKGWFM-LEWJYISDSA-N 1 1 319.452 4.308 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171019349 1042330402 /nfs/dbraw/zinc/33/04/02/1042330402.db2.gz VIAPMLZYUCRIQJ-UXHICEINSA-N 1 1 320.436 4.335 20 30 DIEDMO C=CCC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000606897571 1042335367 /nfs/dbraw/zinc/33/53/67/1042335367.db2.gz ZLZMLKSEVWKTJT-ZDUSSCGKSA-N 1 1 301.352 4.291 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000015299489 1042362103 /nfs/dbraw/zinc/36/21/03/1042362103.db2.gz YEDLBQSULLFCBS-UHFFFAOYSA-N 1 1 308.406 4.415 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000015299489 1042362110 /nfs/dbraw/zinc/36/21/10/1042362110.db2.gz YEDLBQSULLFCBS-UHFFFAOYSA-N 1 1 308.406 4.415 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000614168863 1042419587 /nfs/dbraw/zinc/41/95/87/1042419587.db2.gz ZGCKNHJEHAQWBD-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000614168863 1042419590 /nfs/dbraw/zinc/41/95/90/1042419590.db2.gz ZGCKNHJEHAQWBD-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167536 1042420072 /nfs/dbraw/zinc/42/00/72/1042420072.db2.gz WIPWGKNWMGUDJF-IBGZPJMESA-N 1 1 314.473 4.269 20 30 DIEDMO CC[C@](C)([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614175343 1042422140 /nfs/dbraw/zinc/42/21/40/1042422140.db2.gz ICHJXBKQFZHQOW-SFHVURJKSA-N 1 1 313.470 4.359 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000614177310 1042422774 /nfs/dbraw/zinc/42/27/74/1042422774.db2.gz OWILNEUVYAFFAE-UHFFFAOYSA-N 1 1 305.425 4.047 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000614176771 1042422997 /nfs/dbraw/zinc/42/29/97/1042422997.db2.gz FVDWAFHLJMGSRZ-UHFFFAOYSA-N 1 1 305.425 4.047 20 30 DIEDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182147 1042423258 /nfs/dbraw/zinc/42/32/58/1042423258.db2.gz HMMIQMQOMTUGIG-INIZCTEOSA-N 1 1 320.436 4.271 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000411401883 1042444954 /nfs/dbraw/zinc/44/49/54/1042444954.db2.gz OAGFTAFQXULLLM-LSDHHAIUSA-N 1 1 306.837 4.123 20 30 DIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411684009 1042460060 /nfs/dbraw/zinc/46/00/60/1042460060.db2.gz SGCPNHBCRVBCDS-QGZVFWFLSA-N 1 1 314.477 4.294 20 30 DIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411684009 1042460062 /nfs/dbraw/zinc/46/00/62/1042460062.db2.gz SGCPNHBCRVBCDS-QGZVFWFLSA-N 1 1 314.477 4.294 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000614403279 1042491827 /nfs/dbraw/zinc/49/18/27/1042491827.db2.gz NMBZTESYEALKQJ-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)ccn1 ZINC000614414983 1042494435 /nfs/dbraw/zinc/49/44/35/1042494435.db2.gz PPCYYHDXLLZZKO-HBMCJLEFSA-N 1 1 317.436 4.111 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571542 1042497436 /nfs/dbraw/zinc/49/74/36/1042497436.db2.gz SNPWUONIGDADAR-UHFFFAOYSA-N 1 1 319.452 4.181 20 30 DIEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)ccc1-c1ccccc1 ZINC000614484455 1042534779 /nfs/dbraw/zinc/53/47/79/1042534779.db2.gz XJUAETWWOMDMCO-SFHVURJKSA-N 1 1 303.409 4.195 20 30 DIEDMO Cc1cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc1-c1ccccc1 ZINC000614484442 1042534831 /nfs/dbraw/zinc/53/48/31/1042534831.db2.gz XJUAETWWOMDMCO-GOSISDBHSA-N 1 1 303.409 4.195 20 30 DIEDMO COc1cc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000614493341 1042556922 /nfs/dbraw/zinc/55/69/22/1042556922.db2.gz OISMSWRPSMQDTI-INIZCTEOSA-N 1 1 308.425 4.377 20 30 DIEDMO C[C@@H](C[N@@H+](CCC#N)CC1CC1)c1cccc(Br)c1 ZINC000513741429 1042624712 /nfs/dbraw/zinc/62/47/12/1042624712.db2.gz MZBVQRYSOWNXKN-ZDUSSCGKSA-N 1 1 321.262 4.178 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC1CC1 ZINC000513732452 1042615614 /nfs/dbraw/zinc/61/56/14/1042615614.db2.gz GDBRBDPBPCCGIN-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC1CC1 ZINC000513732452 1042615619 /nfs/dbraw/zinc/61/56/19/1042615619.db2.gz GDBRBDPBPCCGIN-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO COc1ccc2cc(C[N@@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC000016354143 1042629915 /nfs/dbraw/zinc/62/99/15/1042629915.db2.gz NUNFWJHZOLARQF-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421836739 1042655819 /nfs/dbraw/zinc/65/58/19/1042655819.db2.gz RMXDNQDBVROVPC-CQSZACIVSA-N 1 1 322.880 4.040 20 30 DIEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000514184308 1042771625 /nfs/dbraw/zinc/77/16/25/1042771625.db2.gz SNPXZZTWMAFLBY-FQEVSTJZSA-N 1 1 308.400 4.213 20 30 DIEDMO CCOc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425363265 1042796894 /nfs/dbraw/zinc/79/68/94/1042796894.db2.gz BDPYCSULUSCSPW-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001269960657 1042801914 /nfs/dbraw/zinc/80/19/14/1042801914.db2.gz QFKNZTXFPTUBKU-ZSYWTGECSA-N 1 1 320.521 4.090 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000425924257 1042875075 /nfs/dbraw/zinc/87/50/75/1042875075.db2.gz UMIQQJUIAJFLGB-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](C)c1ccc(F)cc1 ZINC000517624681 1042889050 /nfs/dbraw/zinc/88/90/50/1042889050.db2.gz NUJFRKULXVHXBZ-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)CC2CCC2)c(F)c1 ZINC000517855991 1042900805 /nfs/dbraw/zinc/90/08/05/1042900805.db2.gz AUQLWPUUQIVMBZ-UHFFFAOYSA-N 1 1 308.400 4.500 20 30 DIEDMO Oc1ccc2ccccc2c1/C=[NH+]/CCc1nc2ccccc2[nH]1 ZINC000017309335 1042912203 /nfs/dbraw/zinc/91/22/03/1042912203.db2.gz RMMOSXFBGBFILZ-FYJGNVAPSA-N 1 1 315.376 4.083 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001280268979 1042974159 /nfs/dbraw/zinc/97/41/59/1042974159.db2.gz LSAYHRPTYMSQKC-PKOBYXMFSA-N 1 1 308.510 4.070 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519643242 1042997386 /nfs/dbraw/zinc/99/73/86/1042997386.db2.gz CMWMGFUIYQMKNL-FQEVSTJZSA-N 1 1 305.425 4.414 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000519909277 1043007655 /nfs/dbraw/zinc/00/76/55/1043007655.db2.gz QCFUIZJJTGBNCL-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441332718 1043037187 /nfs/dbraw/zinc/03/71/87/1043037187.db2.gz RSOPOOZONGQRNY-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441332718 1043037192 /nfs/dbraw/zinc/03/71/92/1043037192.db2.gz RSOPOOZONGQRNY-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000520437715 1043084461 /nfs/dbraw/zinc/08/44/61/1043084461.db2.gz IHFAOXCEZSCAPD-UHFFFAOYSA-N 1 1 322.861 4.098 20 30 DIEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000520437715 1043084471 /nfs/dbraw/zinc/08/44/71/1043084471.db2.gz IHFAOXCEZSCAPD-UHFFFAOYSA-N 1 1 322.861 4.098 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000120563682 1043101218 /nfs/dbraw/zinc/10/12/18/1043101218.db2.gz RDENGJWAZHTHEY-OAHLLOKOSA-N 1 1 324.399 4.281 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177787920 1043114346 /nfs/dbraw/zinc/11/43/46/1043114346.db2.gz UMYFHZIGYNBREF-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177787920 1043114351 /nfs/dbraw/zinc/11/43/51/1043114351.db2.gz UMYFHZIGYNBREF-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000179627745 1043148463 /nfs/dbraw/zinc/14/84/63/1043148463.db2.gz CSRCCELCVVXIEL-QGZVFWFLSA-N 1 1 316.351 4.086 20 30 DIEDMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@@H+]1CCCC(C)(C)C#N ZINC000189510570 1043155574 /nfs/dbraw/zinc/15/55/74/1043155574.db2.gz KEXKMAINLQLUON-YOEHRIQHSA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@H]1CO[C@H](c2cccc(Cl)c2)C[N@H+]1CCCC(C)(C)C#N ZINC000189510570 1043155577 /nfs/dbraw/zinc/15/55/77/1043155577.db2.gz KEXKMAINLQLUON-YOEHRIQHSA-N 1 1 320.864 4.432 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866267275 1043167027 /nfs/dbraw/zinc/16/70/27/1043167027.db2.gz AOETUPJICXJQFF-WMLDXEAASA-N 1 1 309.413 4.015 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc(C#N)c1O ZINC000866297911 1043176120 /nfs/dbraw/zinc/17/61/20/1043176120.db2.gz OXXSPOQTFHLBCO-CQSZACIVSA-N 1 1 322.408 4.046 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)ccc1F)c1cccc(C#N)c1O ZINC000866365875 1043189505 /nfs/dbraw/zinc/18/95/05/1043189505.db2.gz IMDMZPKHXOVUQA-GFCCVEGCSA-N 1 1 310.372 4.131 20 30 DIEDMO N#CCCC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866363457 1043189991 /nfs/dbraw/zinc/18/99/91/1043189991.db2.gz LPNDGOCGRJJDOJ-BJLQDIEVSA-N 1 1 324.399 4.483 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121884982 1043265869 /nfs/dbraw/zinc/26/58/69/1043265869.db2.gz NFUFCVPOVGAFTR-MOPGFXCFSA-N 1 1 324.424 4.020 20 30 DIEDMO COCCCC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000266926096 1043303379 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CC(C)C[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000521189901 1043370444 /nfs/dbraw/zinc/37/04/44/1043370444.db2.gz ZVFWEHYKOMGHKY-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc2ccccc21 ZINC000521383990 1043394392 /nfs/dbraw/zinc/39/43/92/1043394392.db2.gz ZNJMMWCWTXYORB-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)ccc1C#N ZINC000442813554 1043428811 /nfs/dbraw/zinc/42/88/11/1043428811.db2.gz TWYFPIPJCNHJKN-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)Cc1ccsc1 ZINC000442838867 1043434649 /nfs/dbraw/zinc/43/46/49/1043434649.db2.gz UFUDXMAZRHNDSU-CQSZACIVSA-N 1 1 314.454 4.081 20 30 DIEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnn1CC1CCC1 ZINC000925601441 1043435471 /nfs/dbraw/zinc/43/54/71/1043435471.db2.gz LMOTXJPTFZEBGY-VQIMIIECSA-N 1 1 322.456 4.379 20 30 DIEDMO C[C@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602810 1043435710 /nfs/dbraw/zinc/43/57/10/1043435710.db2.gz 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C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000355590324 1043779970 /nfs/dbraw/zinc/77/99/70/1043779970.db2.gz ZWUZOAXLPMIQAN-QGZVFWFLSA-N 1 1 300.446 4.380 20 30 DIEDMO CC[C@](C)([NH2+]Cc1cc(C#N)cnc1Cl)c1ccc(F)cc1 ZINC000877665560 1043788089 /nfs/dbraw/zinc/78/80/89/1043788089.db2.gz BGUWCFWOYQFCBG-KRWDZBQOSA-N 1 1 317.795 4.161 20 30 DIEDMO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062714 1043804620 /nfs/dbraw/zinc/80/46/20/1043804620.db2.gz UXAXMBYXHFTSAU-UHFFFAOYSA-N 1 1 308.303 4.111 20 30 DIEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062714 1043804646 /nfs/dbraw/zinc/80/46/46/1043804646.db2.gz UXAXMBYXHFTSAU-UHFFFAOYSA-N 1 1 308.303 4.111 20 30 DIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929373730 1043815697 /nfs/dbraw/zinc/81/56/97/1043815697.db2.gz ZMOTXVKVHVMOIV-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C1CCCCCC1)c1ccccc1 ZINC000877907702 1043821690 /nfs/dbraw/zinc/82/16/90/1043821690.db2.gz 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4.078 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(C(F)(F)F)co3)CCC2)cc1 ZINC000878845009 1043922727 /nfs/dbraw/zinc/92/27/27/1043922727.db2.gz BSASWBHPQXXLGJ-UHFFFAOYSA-N 1 1 320.314 4.339 20 30 DIEDMO CCC[N@@H+](Cc1cc(Br)ccc1C#N)[C@H](C)CC ZINC001141894726 1043923027 /nfs/dbraw/zinc/92/30/27/1043923027.db2.gz RLMVHXXJRXQTQI-GFCCVEGCSA-N 1 1 309.251 4.331 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC12CCC2 ZINC000329140880 1043947060 /nfs/dbraw/zinc/94/70/60/1043947060.db2.gz JUZAAYLXLRLAHM-OAHLLOKOSA-N 1 1 311.429 4.048 20 30 DIEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC12CCC2 ZINC000329140879 1043947727 /nfs/dbraw/zinc/94/77/27/1043947727.db2.gz JUZAAYLXLRLAHM-HNNXBMFYSA-N 1 1 311.429 4.048 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)CC1 ZINC000930655111 1043952439 /nfs/dbraw/zinc/95/24/39/1043952439.db2.gz NENODJBYEJMAQM-RJYAGPCLSA-N 1 1 322.456 4.420 20 30 DIEDMO CCC(CC)[N@@H+](CC)Cc1cc(Br)ccc1C#N ZINC001141904986 1043971402 /nfs/dbraw/zinc/97/14/02/1043971402.db2.gz LTQOBPOFGPNXJI-UHFFFAOYSA-N 1 1 309.251 4.331 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931372779 1044017682 /nfs/dbraw/zinc/01/76/82/1044017682.db2.gz PUDWQZAQAGNVKA-JCYILVPMSA-N 1 1 322.456 4.072 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC001168045069 1044023293 /nfs/dbraw/zinc/02/32/93/1044023293.db2.gz VTYAKEKOHHYZSA-KRWDZBQOSA-N 1 1 317.477 4.011 20 30 DIEDMO CC[N@@H+](Cc1cc(C)c(O)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000561943213 1044032197 /nfs/dbraw/zinc/03/21/97/1044032197.db2.gz LHMSQZRYHVNKBB-INIZCTEOSA-N 1 1 308.425 4.464 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000880371944 1044033362 /nfs/dbraw/zinc/03/33/62/1044033362.db2.gz PZPMXVAQYBAYPQ-LJQANCHMSA-N 1 1 312.457 4.098 20 30 DIEDMO CSc1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)ccc1C#N ZINC001141929413 1044034947 /nfs/dbraw/zinc/03/49/47/1044034947.db2.gz UTYGTPSVHOACHQ-GOSISDBHSA-N 1 1 323.465 4.321 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000880389244 1044036160 /nfs/dbraw/zinc/03/61/60/1044036160.db2.gz FSDWTABANSVWBM-OAHLLOKOSA-N 1 1 315.373 4.078 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387735 1044036539 /nfs/dbraw/zinc/03/65/39/1044036539.db2.gz MGBGJZWVCZTZAD-QGZVFWFLSA-N 1 1 302.487 4.497 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000931538705 1044040258 /nfs/dbraw/zinc/04/02/58/1044040258.db2.gz UUUBIOSZMKCWGT-IBGZPJMESA-N 1 1 312.457 4.099 20 30 DIEDMO N#CC1(CCC[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CCOCC1 ZINC000880537859 1044046859 /nfs/dbraw/zinc/04/68/59/1044046859.db2.gz ZQRXKCAQUHDXGB-LPHOPBHVSA-N 1 1 310.441 4.021 20 30 DIEDMO Cc1csc([C@@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000931614686 1044051488 /nfs/dbraw/zinc/05/14/88/1044051488.db2.gz BDOBZNQJQODEGY-OAHLLOKOSA-N 1 1 303.475 4.105 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(OC(F)F)cc1 ZINC000428318276 1044075426 /nfs/dbraw/zinc/07/54/26/1044075426.db2.gz AOKUTWYYTFQVAP-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000358565440 1044084548 /nfs/dbraw/zinc/08/45/48/1044084548.db2.gz ZDGOQMUOTMJDRT-LIRRHRJNSA-N 1 1 307.372 4.393 20 30 DIEDMO CC(C)[N@@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000346606639 1044122550 /nfs/dbraw/zinc/12/25/50/1044122550.db2.gz GYZVFPBBJYNSBH-UHFFFAOYSA-N 1 1 313.214 4.102 20 30 DIEDMO C=CCC[C@H](CC)[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000798935487 1044092191 /nfs/dbraw/zinc/09/21/91/1044092191.db2.gz PNBUBLMGCYWVJW-PMACEKPBSA-N 1 1 300.490 4.233 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932216395 1044110891 /nfs/dbraw/zinc/11/08/91/1044110891.db2.gz WIKBTEZHZWSOLE-GOSISDBHSA-N 1 1 322.383 4.233 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000778161877 1044190157 /nfs/dbraw/zinc/19/01/57/1044190157.db2.gz ONGJIGBVRHFMFE-UHFFFAOYSA-N 1 1 324.811 4.123 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000130244810 1044195358 /nfs/dbraw/zinc/19/53/58/1044195358.db2.gz DKNGSIJXWGCYLH-CQSZACIVSA-N 1 1 312.438 4.204 20 30 DIEDMO CC(C)(C)c1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933614421 1044204027 /nfs/dbraw/zinc/20/40/27/1044204027.db2.gz PEEQZJDAEWNCDQ-UHFFFAOYSA-N 1 1 323.440 4.223 20 30 DIEDMO C[N@H+](Cc1ccc(CSC(F)F)o1)Cc1ccc(C#N)cc1 ZINC000131196664 1044232174 /nfs/dbraw/zinc/23/21/74/1044232174.db2.gz IQVJLCILXATXBM-UHFFFAOYSA-N 1 1 322.380 4.239 20 30 DIEDMO C[N@@H+](Cc1ccc(CSC(F)F)o1)Cc1ccc(C#N)cc1 ZINC000131196664 1044232183 /nfs/dbraw/zinc/23/21/83/1044232183.db2.gz IQVJLCILXATXBM-UHFFFAOYSA-N 1 1 322.380 4.239 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1ncccc1C)C(C)(C)C ZINC000934290448 1044236103 /nfs/dbraw/zinc/23/61/03/1044236103.db2.gz FTWZYNNHMWLPND-LJQANCHMSA-N 1 1 323.440 4.147 20 30 DIEDMO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000883266888 1044255076 /nfs/dbraw/zinc/25/50/76/1044255076.db2.gz NGAYZTPFZJVVBH-ZDUSSCGKSA-N 1 1 322.408 4.001 20 30 DIEDMO C=CCCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000523011706 1044322026 /nfs/dbraw/zinc/32/20/26/1044322026.db2.gz ZZVSRLACDJMWBR-UHFFFAOYSA-N 1 1 308.425 4.337 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000186267784 1044324868 /nfs/dbraw/zinc/32/48/68/1044324868.db2.gz WUWDKWIJPLIPKL-ZDUSSCGKSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000186267784 1044324882 /nfs/dbraw/zinc/32/48/82/1044324882.db2.gz WUWDKWIJPLIPKL-ZDUSSCGKSA-N 1 1 307.422 4.361 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000475286326 1044347367 /nfs/dbraw/zinc/34/73/67/1044347367.db2.gz PVZPDVGAOOARAB-UHFFFAOYSA-N 1 1 307.397 4.248 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144997 1044348225 /nfs/dbraw/zinc/34/82/25/1044348225.db2.gz YJLRSIHBHAGWMJ-QRWLVFNGSA-N 1 1 308.400 4.475 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935606876 1044350584 /nfs/dbraw/zinc/35/05/84/1044350584.db2.gz VXTIXPONGPCMFK-SFHVURJKSA-N 1 1 314.473 4.350 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230918 1044376728 /nfs/dbraw/zinc/37/67/28/1044376728.db2.gz RBUFTZNECFTZTI-CJNGLKHVSA-N 1 1 322.543 4.304 20 30 DIEDMO C=CC[N@H+](Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1)C1CC1 ZINC000348259581 1044377571 /nfs/dbraw/zinc/37/75/71/1044377571.db2.gz GSBNYVJTRORBTM-UHFFFAOYSA-N 1 1 321.346 4.042 20 30 DIEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000186330144 1044380060 /nfs/dbraw/zinc/38/00/60/1044380060.db2.gz FMGWWLVIYMDYNH-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2ccc(F)cc21 ZINC000361340543 1044394260 /nfs/dbraw/zinc/39/42/60/1044394260.db2.gz FXUPBUOBOVKTQI-QGZVFWFLSA-N 1 1 313.372 4.004 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2ccc(F)cc21 ZINC000361340542 1044394622 /nfs/dbraw/zinc/39/46/22/1044394622.db2.gz FXUPBUOBOVKTQI-KRWDZBQOSA-N 1 1 313.372 4.004 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000565458049 1044436482 /nfs/dbraw/zinc/43/64/82/1044436482.db2.gz LWZSUGACCQSOHY-KONDSOJQSA-N 1 1 317.436 4.411 20 30 DIEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000565665659 1044447953 /nfs/dbraw/zinc/44/79/53/1044447953.db2.gz MPGXDDZXHWZIMA-MAUKXSAKSA-N 1 1 321.424 4.282 20 30 DIEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC000565810611 1044459529 /nfs/dbraw/zinc/45/95/29/1044459529.db2.gz KNQOHLRLTHTBME-NSHDSACASA-N 1 1 309.251 4.187 20 30 DIEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000566474650 1044491947 /nfs/dbraw/zinc/49/19/47/1044491947.db2.gz HAJWRZNVSNELGO-NVXWUHKLSA-N 1 1 304.397 4.030 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2ccccc2n1 ZINC000303519945 1044493083 /nfs/dbraw/zinc/49/30/83/1044493083.db2.gz FAMGDYDABFKWBV-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc2ccccc2n1 ZINC000303519945 1044493089 /nfs/dbraw/zinc/49/30/89/1044493089.db2.gz FAMGDYDABFKWBV-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186608707 1044511024 /nfs/dbraw/zinc/51/10/24/1044511024.db2.gz RKDWOXKMDMYYBP-HNNXBMFYSA-N 1 1 304.393 4.114 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1Cl ZINC000475572186 1044515873 /nfs/dbraw/zinc/51/58/73/1044515873.db2.gz OLODAGMXIUIODJ-SFHVURJKSA-N 1 1 323.864 4.296 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC(F)(F)F)c1 ZINC000179095380 1044516231 /nfs/dbraw/zinc/51/62/31/1044516231.db2.gz VERCFCLAJFAUCQ-LBPRGKRZSA-N 1 1 320.314 4.308 20 30 DIEDMO C=C(Br)C[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000135732669 1044558699 /nfs/dbraw/zinc/55/86/99/1044558699.db2.gz YNLWRXQAKMYUPP-INIZCTEOSA-N 1 1 320.205 4.413 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C1CC1 ZINC000567408405 1044566318 /nfs/dbraw/zinc/56/63/18/1044566318.db2.gz MEPGFGOPZOTIMG-HNNXBMFYSA-N 1 1 308.347 4.197 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C1CC1 ZINC000567408405 1044566333 /nfs/dbraw/zinc/56/63/33/1044566333.db2.gz MEPGFGOPZOTIMG-HNNXBMFYSA-N 1 1 308.347 4.197 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000444613121 1044575491 /nfs/dbraw/zinc/57/54/91/1044575491.db2.gz TXIXZMVLXKQKAF-MRXNPFEDSA-N 1 1 314.429 4.272 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)CCOc1cccc(Cl)c1 ZINC000444597700 1044577338 /nfs/dbraw/zinc/57/73/38/1044577338.db2.gz OFAVRCLPAPKIJT-UHFFFAOYSA-N 1 1 308.853 4.371 20 30 DIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000567624406 1044577702 /nfs/dbraw/zinc/57/77/02/1044577702.db2.gz OACHTBZCOXQQSR-SFHVURJKSA-N 1 1 313.832 4.436 20 30 DIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000567624406 1044577711 /nfs/dbraw/zinc/57/77/11/1044577711.db2.gz OACHTBZCOXQQSR-SFHVURJKSA-N 1 1 313.832 4.436 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)cc1OC ZINC000444597698 1044578307 /nfs/dbraw/zinc/57/83/07/1044578307.db2.gz OEVXLGFXXDWALA-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444630369 1044578871 /nfs/dbraw/zinc/57/88/71/1044578871.db2.gz ZRGQPUHWMHGZMQ-SFHVURJKSA-N 1 1 314.473 4.422 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1C#N ZINC000042364984 1044592810 /nfs/dbraw/zinc/59/28/10/1044592810.db2.gz ICNSUWWGMADWNY-UHFFFAOYSA-N 1 1 304.315 4.209 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1C#N ZINC000042364984 1044592824 /nfs/dbraw/zinc/59/28/24/1044592824.db2.gz ICNSUWWGMADWNY-UHFFFAOYSA-N 1 1 304.315 4.209 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664953 1044594631 /nfs/dbraw/zinc/59/46/31/1044594631.db2.gz OUPBUOQUYCXKBO-FGTMMUONSA-N 1 1 305.510 4.044 20 30 DIEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCCCC(C)(C)C#N ZINC000444681581 1044599905 /nfs/dbraw/zinc/59/99/05/1044599905.db2.gz VKWAMHVRMKQUAF-AEFFLSMTSA-N 1 1 300.446 4.168 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000444688761 1044602560 /nfs/dbraw/zinc/60/25/60/1044602560.db2.gz KWSYZIXHXYJOAS-IBGZPJMESA-N 1 1 314.473 4.040 20 30 DIEDMO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1c(C)noc1C ZINC000348364287 1044616082 /nfs/dbraw/zinc/61/60/82/1044616082.db2.gz SSDQCPGTNWJCCJ-MRXNPFEDSA-N 1 1 302.805 4.037 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000568418599 1044624179 /nfs/dbraw/zinc/62/41/79/1044624179.db2.gz YLHSEBOOCCGNBY-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000568465706 1044627176 /nfs/dbraw/zinc/62/71/76/1044627176.db2.gz ZFXDDBYGDIDBBA-FQEVSTJZSA-N 1 1 321.424 4.079 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c(O)c(OC)c1 ZINC000218803271 1044628717 /nfs/dbraw/zinc/62/87/17/1044628717.db2.gz DTGBDXGCCCRGNV-IBGZPJMESA-N 1 1 323.436 4.249 20 30 DIEDMO C#CC[C@H]1CC[N@H+](Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1 ZINC000886360569 1044634573 /nfs/dbraw/zinc/63/45/73/1044634573.db2.gz YBXOTFNJVRSIQI-AWEZNQCLSA-N 1 1 314.816 4.149 20 30 DIEDMO Cc1cccc([C@@H]2CCCCC[N@@H+]2Cc2nc(C#N)cs2)c1 ZINC000568810307 1044652723 /nfs/dbraw/zinc/65/27/23/1044652723.db2.gz LKYJMUXNWYNYBT-KRWDZBQOSA-N 1 1 311.454 4.441 20 30 DIEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2Cc2nc(C#N)cs2)c1 ZINC000568810307 1044652729 /nfs/dbraw/zinc/65/27/29/1044652729.db2.gz LKYJMUXNWYNYBT-KRWDZBQOSA-N 1 1 311.454 4.441 20 30 DIEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)no1 ZINC000568920308 1044658544 /nfs/dbraw/zinc/65/85/44/1044658544.db2.gz ANJMKDLICAERNA-HNNXBMFYSA-N 1 1 317.392 4.373 20 30 DIEDMO COc1ccc2cc(C[N@H+](C)Cc3ccccc3C#N)ccc2c1 ZINC000007805783 1044678827 /nfs/dbraw/zinc/67/88/27/1044678827.db2.gz JLLQTELQNPYTRY-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccccc3C#N)ccc2c1 ZINC000007805783 1044678830 /nfs/dbraw/zinc/67/88/30/1044678830.db2.gz JLLQTELQNPYTRY-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717312 1044691688 /nfs/dbraw/zinc/69/16/88/1044691688.db2.gz ZMXUGMOQZABCNH-ZIAGYGMSSA-N 1 1 324.428 4.007 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(-c2ccncc2)c1 ZINC000367657363 1044749989 /nfs/dbraw/zinc/74/99/89/1044749989.db2.gz IIDLPQKTXKHYSK-UHFFFAOYSA-N 1 1 317.392 4.235 20 30 DIEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123528896 1044785961 /nfs/dbraw/zinc/78/59/61/1044785961.db2.gz YBMDNBBCAIJJMD-KRWDZBQOSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000123529099 1044786229 /nfs/dbraw/zinc/78/62/29/1044786229.db2.gz YBMDNBBCAIJJMD-QGZVFWFLSA-N 1 1 324.428 4.009 20 30 DIEDMO CCCCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OCC ZINC000571904551 1044830178 /nfs/dbraw/zinc/83/01/78/1044830178.db2.gz KXCSZUYLSASEGP-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CCCCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OCC ZINC000571904551 1044830203 /nfs/dbraw/zinc/83/02/03/1044830203.db2.gz KXCSZUYLSASEGP-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445905186 1044848600 /nfs/dbraw/zinc/84/86/00/1044848600.db2.gz WWMXRRYQWWUHMX-CQSZACIVSA-N 1 1 310.235 4.171 20 30 DIEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000336856883 1044851478 /nfs/dbraw/zinc/85/14/78/1044851478.db2.gz OWMOHFCPHWQADT-DLBZAZTESA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000336856883 1044851501 /nfs/dbraw/zinc/85/15/01/1044851501.db2.gz OWMOHFCPHWQADT-DLBZAZTESA-N 1 1 311.454 4.032 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000264131499 1044853923 /nfs/dbraw/zinc/85/39/23/1044853923.db2.gz MRXMDCKRCOPHHI-LJQANCHMSA-N 1 1 310.372 4.065 20 30 DIEDMO C=CCc1cc(C[N@@H+](Cc2ccccc2)C2CC2)c(O)c(OC)c1 ZINC000887562275 1044855626 /nfs/dbraw/zinc/85/56/26/1044855626.db2.gz PEXLDFRSDBLHHZ-UHFFFAOYSA-N 1 1 323.436 4.294 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000572923138 1044883377 /nfs/dbraw/zinc/88/33/77/1044883377.db2.gz NCVFEIIZXRCJJD-UHFFFAOYSA-N 1 1 303.381 4.054 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000264558885 1044894998 /nfs/dbraw/zinc/89/49/98/1044894998.db2.gz NQXAMGVDMMYZBD-IBGZPJMESA-N 1 1 310.372 4.065 20 30 DIEDMO C=CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC001168086475 1044902523 /nfs/dbraw/zinc/90/25/23/1044902523.db2.gz QMBDUTLZFISHAJ-IEWDOMPSSA-N 1 1 320.521 4.137 20 30 DIEDMO COc1cccc2c(N3CCC(CCC#N)CC3)cc(C)[nH+]c12 ZINC000573559600 1044912173 /nfs/dbraw/zinc/91/21/73/1044912173.db2.gz NMSQXKONVCWLOU-UHFFFAOYSA-N 1 1 309.413 4.072 20 30 DIEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000574122013 1044940364 /nfs/dbraw/zinc/94/03/64/1044940364.db2.gz LONHTUZROAWTSB-GFCCVEGCSA-N 1 1 317.301 4.034 20 30 DIEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000574122013 1044940370 /nfs/dbraw/zinc/94/03/70/1044940370.db2.gz LONHTUZROAWTSB-GFCCVEGCSA-N 1 1 317.301 4.034 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000373106790 1044942205 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CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000150863815 1045008679 /nfs/dbraw/zinc/00/86/79/1045008679.db2.gz LSNSSBWVRCDFGD-INIZCTEOSA-N 1 1 304.340 4.306 20 30 DIEDMO COCc1ccc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)o1 ZINC000411538305 1045019270 /nfs/dbraw/zinc/01/92/70/1045019270.db2.gz DLSXFMNUYPCDJF-QGZVFWFLSA-N 1 1 316.445 4.427 20 30 DIEDMO C[C@@H](CCC#N)[N@H+](C)Cc1cc(Br)ccc1Cl ZINC000411631550 1045020536 /nfs/dbraw/zinc/02/05/36/1045020536.db2.gz MQNVTLLNANMVOZ-JTQLQIEISA-N 1 1 315.642 4.227 20 30 DIEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC000411631550 1045020539 /nfs/dbraw/zinc/02/05/39/1045020539.db2.gz MQNVTLLNANMVOZ-JTQLQIEISA-N 1 1 315.642 4.227 20 30 DIEDMO CC1CCC([N@H+](Cc2ccc(C#N)cc2)C[C@@H]2CCCO2)CC1 ZINC000525273833 1045022281 /nfs/dbraw/zinc/02/22/81/1045022281.db2.gz XSMZGKOCLHSZFO-GQOXECLESA-N 1 1 312.457 4.118 20 30 DIEDMO C[C@@H](CCC#N)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000411628768 1045022798 /nfs/dbraw/zinc/02/27/98/1045022798.db2.gz 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C=C(C)C[N@H+](CC)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000158991778 1045092597 /nfs/dbraw/zinc/09/25/97/1045092597.db2.gz ZQQXBIODUCFYIP-UHFFFAOYSA-N 1 1 306.841 4.064 20 30 DIEDMO Cc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(Oc2ccccc2)c1 ZINC000577050673 1045096892 /nfs/dbraw/zinc/09/68/92/1045096892.db2.gz HZJPRMFMWFCXBN-QGZVFWFLSA-N 1 1 319.408 4.320 20 30 DIEDMO CC#CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000525633191 1045102049 /nfs/dbraw/zinc/10/20/49/1045102049.db2.gz QLUQERXTKCIJFQ-UHFFFAOYSA-N 1 1 314.404 4.149 20 30 DIEDMO C=CCCC[N@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000577246360 1045110498 /nfs/dbraw/zinc/11/04/98/1045110498.db2.gz BKWYHOCQLNKNLD-UHFFFAOYSA-N 1 1 321.417 4.225 20 30 DIEDMO CCCCCCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OCC ZINC001258039470 1045118099 /nfs/dbraw/zinc/11/80/99/1045118099.db2.gz RAXTWMZNFQLWHG-GJZGRUSLSA-N 1 1 303.512 4.010 20 30 DIEDMO C=CCCC[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000447798247 1045177113 /nfs/dbraw/zinc/17/71/13/1045177113.db2.gz UMEFYUWAXROIMT-GOSISDBHSA-N 1 1 319.408 4.382 20 30 DIEDMO C=CCCCCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001271935520 1045198251 /nfs/dbraw/zinc/19/82/51/1045198251.db2.gz NMKHAJOABOUGCE-KRWDZBQOSA-N 1 1 322.880 4.195 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034220 1045199896 /nfs/dbraw/zinc/19/98/96/1045199896.db2.gz WPFDWDKDJDGTLR-UXHICEINSA-N 1 1 324.468 4.399 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000578034220 1045199909 /nfs/dbraw/zinc/19/99/09/1045199909.db2.gz WPFDWDKDJDGTLR-UXHICEINSA-N 1 1 324.468 4.399 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(C#N)c1O ZINC000924813798 1045201329 /nfs/dbraw/zinc/20/13/29/1045201329.db2.gz NLZMUICCVDVMTA-ZDUSSCGKSA-N 1 1 306.818 4.220 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034219 1045200594 /nfs/dbraw/zinc/20/05/94/1045200594.db2.gz WPFDWDKDJDGTLR-PMACEKPBSA-N 1 1 324.468 4.399 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)c1ccco1 ZINC000578034219 1045200608 /nfs/dbraw/zinc/20/06/08/1045200608.db2.gz WPFDWDKDJDGTLR-PMACEKPBSA-N 1 1 324.468 4.399 20 30 DIEDMO C[C@H](CC(C)(C)C#N)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057759 1045222027 /nfs/dbraw/zinc/22/20/27/1045222027.db2.gz MAHPFEXQSSVGHC-CVEARBPZSA-N 1 1 301.478 4.034 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000448257753 1045224165 /nfs/dbraw/zinc/22/41/65/1045224165.db2.gz WQSYJADBWKYJFA-ZDUSSCGKSA-N 1 1 303.327 4.148 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000448257753 1045224176 /nfs/dbraw/zinc/22/41/76/1045224176.db2.gz WQSYJADBWKYJFA-ZDUSSCGKSA-N 1 1 303.327 4.148 20 30 DIEDMO Cc1cnc(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)c1 ZINC000578352995 1045233859 /nfs/dbraw/zinc/23/38/59/1045233859.db2.gz QBHLGONOBMRAKX-CTNGQTDRSA-N 1 1 319.452 4.013 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1Cl ZINC000448369940 1045238140 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DIEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475658146 1045426332 /nfs/dbraw/zinc/42/63/32/1045426332.db2.gz CXHKHSILVZMTDS-PKOBYXMFSA-N 1 1 314.473 4.027 20 30 DIEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)CCCC1 ZINC000449879382 1045447085 /nfs/dbraw/zinc/44/70/85/1045447085.db2.gz GYXSVRRTVPLYNQ-UHFFFAOYSA-N 1 1 320.521 4.093 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000529661818 1045510852 /nfs/dbraw/zinc/51/08/52/1045510852.db2.gz CKKUKHJXQXBRGH-HXUWFJFHSA-N 1 1 312.457 4.176 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc([C@@H](C)C(F)(F)F)cc1)C1CC1 ZINC000450620876 1045526845 /nfs/dbraw/zinc/52/68/45/1045526845.db2.gz YWCRDPOYUQTTDY-QWHCGFSZSA-N 1 1 310.363 4.476 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc([C@@H](C)C(F)(F)F)cc1)C1CC1 ZINC000450620876 1045526852 /nfs/dbraw/zinc/52/68/52/1045526852.db2.gz YWCRDPOYUQTTDY-QWHCGFSZSA-N 1 1 310.363 4.476 20 30 DIEDMO N#CC1(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CCC1 ZINC000450683430 1045545970 /nfs/dbraw/zinc/54/59/70/1045545970.db2.gz SIQXTXARBOEMIG-UHFFFAOYSA-N 1 1 308.347 4.368 20 30 DIEDMO N#CC1(C[NH2+][C@H](COCc2ccccc2)c2ccccc2)CCC1 ZINC000450677947 1045550544 /nfs/dbraw/zinc/55/05/44/1045550544.db2.gz GQRDWPFAFJTMBE-HXUWFJFHSA-N 1 1 320.436 4.228 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccn(CC(F)(F)F)n2)CCCC1(C)C ZINC000450863116 1045580838 /nfs/dbraw/zinc/58/08/38/1045580838.db2.gz GJECVFHKGVHFRY-AWEZNQCLSA-N 1 1 315.383 4.012 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cccc(F)c1C#N ZINC000451140471 1045629071 /nfs/dbraw/zinc/62/90/71/1045629071.db2.gz AASFLQQLKPVYDY-LOWVWBTDSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cccc(F)c1C#N ZINC000451140471 1045629081 /nfs/dbraw/zinc/62/90/81/1045629081.db2.gz AASFLQQLKPVYDY-LOWVWBTDSA-N 1 1 314.326 4.249 20 30 DIEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000751932611 1045642496 /nfs/dbraw/zinc/64/24/96/1045642496.db2.gz PQFAKRXXSGQZIM-WOJBJXKFSA-N 1 1 320.436 4.281 20 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/nfs/dbraw/zinc/74/77/44/1045747744.db2.gz BGVNQAVEGTWPBT-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000801595543 1045749535 /nfs/dbraw/zinc/74/95/35/1045749535.db2.gz NIFGUIXAISJSNH-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO CC1=C(c2ccco2)C[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000801602436 1045753260 /nfs/dbraw/zinc/75/32/60/1045753260.db2.gz IDVCOJFMYIPPPO-UHFFFAOYSA-N 1 1 322.408 4.100 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(C#N)ccc3F)C2)c1 ZINC000452024175 1045763249 /nfs/dbraw/zinc/76/32/49/1045763249.db2.gz XVFJGKVZQDTUBA-SAABIXHNSA-N 1 1 324.399 4.084 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000753586613 1045769819 /nfs/dbraw/zinc/76/98/19/1045769819.db2.gz BRJWONGIQZKMFT-FXAWDEMLSA-N 1 1 320.436 4.275 20 30 DIEDMO C=C1CC(C)(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000630766875 1045779467 /nfs/dbraw/zinc/77/94/67/1045779467.db2.gz ALTATIGFFOLLKJ-UHFFFAOYSA-N 1 1 323.440 4.350 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1c(F)cccc1Cl ZINC000192162092 1045787479 /nfs/dbraw/zinc/78/74/79/1045787479.db2.gz CIYASYGIOJIXDV-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000801915443 1045836766 /nfs/dbraw/zinc/83/67/66/1045836766.db2.gz LIKJPWWQZNHNTL-CABCVRRESA-N 1 1 300.402 4.134 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+]([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000801918499 1045837241 /nfs/dbraw/zinc/83/72/41/1045837241.db2.gz PHVTVQKBERVHKN-HZPDHXFCSA-N 1 1 308.425 4.294 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000801923629 1045843383 /nfs/dbraw/zinc/84/33/83/1045843383.db2.gz LQTKAKZZRQWQEV-SJORKVTESA-N 1 1 308.425 4.275 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000754704166 1045914060 /nfs/dbraw/zinc/91/40/60/1045914060.db2.gz LWUCXJDFMBNODP-GFCCVEGCSA-N 1 1 323.421 4.027 20 30 DIEDMO C[C@@]1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589202 1045918055 /nfs/dbraw/zinc/91/80/55/1045918055.db2.gz GEXNDYXTAQSSTA-INIZCTEOSA-N 1 1 321.251 4.231 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000779604431 1045926341 /nfs/dbraw/zinc/92/63/41/1045926341.db2.gz LKOPFGYHJHQLBC-KRWDZBQOSA-N 1 1 311.473 4.049 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3ccccc3s1)CC2 ZINC001137681463 1045931888 /nfs/dbraw/zinc/93/18/88/1045931888.db2.gz YJFFUWRJEOLGLN-UHFFFAOYSA-N 1 1 304.418 4.331 20 30 DIEDMO C[C@@H](c1ccco1)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000754875929 1045936966 /nfs/dbraw/zinc/93/69/66/1045936966.db2.gz QMMYVIILDOQGFW-HNNXBMFYSA-N 1 1 310.397 4.146 20 30 DIEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(C#N)c1 ZINC001137703570 1045940911 /nfs/dbraw/zinc/94/09/11/1045940911.db2.gz PEWRUHDBHGUOLY-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(C#N)c1 ZINC001137703570 1045940918 /nfs/dbraw/zinc/94/09/18/1045940918.db2.gz PEWRUHDBHGUOLY-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001137703621 1045941101 /nfs/dbraw/zinc/94/11/01/1045941101.db2.gz RDKFMBFGOCSTHE-GOSISDBHSA-N 1 1 320.436 4.022 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)c(C#N)c1 ZINC001137703070 1045941315 /nfs/dbraw/zinc/94/13/15/1045941315.db2.gz BYFVHLUGQAWOHT-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO CCCCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000755250977 1045966539 /nfs/dbraw/zinc/96/65/39/1045966539.db2.gz PUFQYTCTEYZCJX-MSOLQXFVSA-N 1 1 323.525 4.053 20 30 DIEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Br)c1 ZINC001137808180 1045970488 /nfs/dbraw/zinc/97/04/88/1045970488.db2.gz AXCQVRYGFAJZAB-XMQYKBBCSA-N 1 1 319.246 4.024 20 30 DIEDMO Clc1ncsc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001137824967 1045975579 /nfs/dbraw/zinc/97/55/79/1045975579.db2.gz RGXFPHHSUUGQOV-UHFFFAOYSA-N 1 1 316.857 4.060 20 30 DIEDMO CC(C)c1[nH+]c(/C=C2/Cc3ccccc3C2=O)c2ccccn21 ZINC000755626580 1046003812 /nfs/dbraw/zinc/00/38/12/1046003812.db2.gz PFMUFWMMYTYIBP-QINSGFPZSA-N 1 1 302.377 4.280 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+](C)CC2CC2)cc1 ZINC001137898362 1046004262 /nfs/dbraw/zinc/00/42/62/1046004262.db2.gz PRIVZLGSGGGXJI-UHFFFAOYSA-N 1 1 305.425 4.168 20 30 DIEDMO C[C@H]1CCC[N@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137898477 1046004583 /nfs/dbraw/zinc/00/45/83/1046004583.db2.gz WBGCEDDNZRUIHT-INIZCTEOSA-N 1 1 305.425 4.310 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001137904334 1046005645 /nfs/dbraw/zinc/00/56/45/1046005645.db2.gz ZABOYTCVLDDBEA-NQIIRXRSSA-N 1 1 317.436 4.310 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955434 1046032210 /nfs/dbraw/zinc/03/22/10/1046032210.db2.gz ZYCXHYPEYPGAJU-UHFFFAOYSA-N 1 1 302.365 4.424 20 30 DIEDMO CC[N@H+](CCC#N)Cc1ccc(N(C)c2ccc(OC)cc2)cc1 ZINC001137915699 1046012180 /nfs/dbraw/zinc/01/21/80/1046012180.db2.gz YNCMCEXMFCMOBC-UHFFFAOYSA-N 1 1 323.440 4.199 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccc(OC)cc2)cc1 ZINC001137915699 1046012189 /nfs/dbraw/zinc/01/21/89/1046012189.db2.gz YNCMCEXMFCMOBC-UHFFFAOYSA-N 1 1 323.440 4.199 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC001137955434 1046032218 /nfs/dbraw/zinc/03/22/18/1046032218.db2.gz ZYCXHYPEYPGAJU-UHFFFAOYSA-N 1 1 302.365 4.424 20 30 DIEDMO CCC1(CC)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000756023737 1046040557 /nfs/dbraw/zinc/04/05/57/1046040557.db2.gz RDJPAXSIHQPJEF-UHFFFAOYSA-N 1 1 306.837 4.254 20 30 DIEDMO C[C@@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001256188905 1046049636 /nfs/dbraw/zinc/04/96/36/1046049636.db2.gz XCBJUZUWBFFIQS-UONOGXRCSA-N 1 1 321.262 4.006 20 30 DIEDMO C[N@H+](CCF)Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001138022502 1046061946 /nfs/dbraw/zinc/06/19/46/1046061946.db2.gz BHIAQDVPHUEIJB-UHFFFAOYSA-N 1 1 303.221 4.126 20 30 DIEDMO C[N@@H+](CCF)Cc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC001138022502 1046061959 /nfs/dbraw/zinc/06/19/59/1046061959.db2.gz BHIAQDVPHUEIJB-UHFFFAOYSA-N 1 1 303.221 4.126 20 30 DIEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902765651 1046064214 /nfs/dbraw/zinc/06/42/14/1046064214.db2.gz RULDOEHYYAGINQ-KBPBESRZSA-N 1 1 305.381 4.420 20 30 DIEDMO CC(N=Nc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779773173 1046064925 /nfs/dbraw/zinc/06/49/25/1046064925.db2.gz ZWWOIALCVZOONY-QGZVFWFLSA-N 1 1 311.404 4.136 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)c1cc(C#N)ccn1 ZINC000902808298 1046075094 /nfs/dbraw/zinc/07/50/94/1046075094.db2.gz IAZGGJHSLGYDDD-GHMZBOCLSA-N 1 1 303.768 4.158 20 30 DIEDMO CCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902840614 1046083734 /nfs/dbraw/zinc/08/37/34/1046083734.db2.gz DTLYWPDCAANSEI-YVEFUNNKSA-N 1 1 315.367 4.423 20 30 DIEDMO C=CC[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000634676641 1046083838 /nfs/dbraw/zinc/08/38/38/1046083838.db2.gz JEJXMGRFNMUAMI-HQSKLWIPSA-N 1 1 323.440 4.118 20 30 DIEDMO Cn1cc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)cc1C#N ZINC000453624657 1046095320 /nfs/dbraw/zinc/09/53/20/1046095320.db2.gz YRWQWHJRHIYECA-LJQANCHMSA-N 1 1 305.425 4.014 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCc2ccccc21 ZINC001138111860 1046096803 /nfs/dbraw/zinc/09/68/03/1046096803.db2.gz TVKNWKQHPOWUKS-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756569333 1046100491 /nfs/dbraw/zinc/10/04/91/1046100491.db2.gz MQZSJLDCHRZVRQ-GFCCVEGCSA-N 1 1 319.351 4.086 20 30 DIEDMO C#CCC[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccn1 ZINC000831063165 1046115955 /nfs/dbraw/zinc/11/59/55/1046115955.db2.gz IWJGQEAKVINLAF-UHFFFAOYSA-N 1 1 318.342 4.126 20 30 DIEDMO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)CCC1 ZINC000903035136 1046145457 /nfs/dbraw/zinc/14/54/57/1046145457.db2.gz JBLRFYVLUXOQLV-IBGZPJMESA-N 1 1 305.425 4.039 20 30 DIEDMO C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)Cc1ccccn1 ZINC001138333494 1046153568 /nfs/dbraw/zinc/15/35/68/1046153568.db2.gz FDOFABHGQOELKW-UHFFFAOYSA-N 1 1 312.416 4.113 20 30 DIEDMO CCc1cccc2c(C[N@@H+](C)Cc3ccc(C#N)cc3)c[nH]c21 ZINC001138360727 1046156768 /nfs/dbraw/zinc/15/67/68/1046156768.db2.gz AUYMBZXZPYJLNL-UHFFFAOYSA-N 1 1 303.409 4.234 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000756995020 1046158214 /nfs/dbraw/zinc/15/82/14/1046158214.db2.gz BZLPTSSGSZYZHU-LJQANCHMSA-N 1 1 302.377 4.196 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000756997871 1046159956 /nfs/dbraw/zinc/15/99/56/1046159956.db2.gz PDKBHYLMSQVAEP-KRWDZBQOSA-N 1 1 319.433 4.059 20 30 DIEDMO C=CCCC[C@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000903087798 1046160718 /nfs/dbraw/zinc/16/07/18/1046160718.db2.gz IXEXDIKFFAMATK-WMZOPIPTSA-N 1 1 312.461 4.436 20 30 DIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100016 1046162596 /nfs/dbraw/zinc/16/25/96/1046162596.db2.gz GBDAMXWCNBBIMA-NSHDSACASA-N 1 1 317.433 4.458 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccn(CC)n1)c1cccc(Cl)c1 ZINC000903185399 1046187441 /nfs/dbraw/zinc/18/74/41/1046187441.db2.gz 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COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H](C#N)C3)c2)cc1 ZINC001138614782 1046240413 /nfs/dbraw/zinc/24/04/13/1046240413.db2.gz HCXQPTQDXLMLCL-KRWDZBQOSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](C#N)C3)c2)cc1 ZINC001138614782 1046240427 /nfs/dbraw/zinc/24/04/27/1046240427.db2.gz HCXQPTQDXLMLCL-KRWDZBQOSA-N 1 1 306.409 4.098 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1O ZINC001138628201 1046247555 /nfs/dbraw/zinc/24/75/55/1046247555.db2.gz QJFDTCFBQAQDHN-QGZVFWFLSA-N 1 1 311.400 4.249 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)c1O ZINC001138630070 1046248941 /nfs/dbraw/zinc/24/89/41/1046248941.db2.gz PWPKUPRRGNIFNF-IBGZPJMESA-N 1 1 308.425 4.161 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOc2ccccc2C1 ZINC001138664445 1046259559 /nfs/dbraw/zinc/25/95/59/1046259559.db2.gz QBMZENOBYZNXEO-UHFFFAOYSA-N 1 1 309.409 4.036 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCOc2ccccc2C1 ZINC001138664445 1046259569 /nfs/dbraw/zinc/25/95/69/1046259569.db2.gz 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CCOc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000610675323 1046337571 /nfs/dbraw/zinc/33/75/71/1046337571.db2.gz AGPSWVHUJCNKLE-UHFFFAOYSA-N 1 1 323.440 4.010 20 30 DIEDMO CCC[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000051855240 1046344353 /nfs/dbraw/zinc/34/43/53/1046344353.db2.gz UQHPTTIVUXJPAU-UHFFFAOYSA-N 1 1 305.381 4.112 20 30 DIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000759347772 1046347148 /nfs/dbraw/zinc/34/71/48/1046347148.db2.gz ZLJMHIFRZINUPQ-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000759345795 1046348203 /nfs/dbraw/zinc/34/82/03/1046348203.db2.gz LERGLXKDYFSPMS-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)nc1Cl)C(C)(C)C ZINC001139117156 1046389212 /nfs/dbraw/zinc/38/92/12/1046389212.db2.gz WKXUQJLZBZDSGV-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)nc1Cl)C(C)(C)C ZINC001139117156 1046389222 /nfs/dbraw/zinc/38/92/22/1046389222.db2.gz WKXUQJLZBZDSGV-UHFFFAOYSA-N 1 1 317.658 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C=CC[N@H+](C)Cc1ccc(-c2ncccc2C(F)(F)F)cc1 ZINC001139483351 1046454836 /nfs/dbraw/zinc/45/48/36/1046454836.db2.gz DTERCGJLDVNNMQ-UHFFFAOYSA-N 1 1 306.331 4.385 20 30 DIEDMO N#CCC1CC[NH+](Cn2c(=S)oc3cc(Cl)ccc32)CC1 ZINC000781572643 1046456975 /nfs/dbraw/zinc/45/69/75/1046456975.db2.gz UFRGEIDCSPPYQH-UHFFFAOYSA-N 1 1 321.833 4.200 20 30 DIEDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139527937 1046462892 /nfs/dbraw/zinc/46/28/92/1046462892.db2.gz UGKRBHGIJDHHST-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC001139529499 1046463255 /nfs/dbraw/zinc/46/32/55/1046463255.db2.gz ULAQSKZNLOWBGD-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139527939 1046463557 /nfs/dbraw/zinc/46/35/57/1046463557.db2.gz UGKRBHGIJDHHST-SFHVURJKSA-N 1 1 324.399 4.049 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001139531252 1046464739 /nfs/dbraw/zinc/46/47/39/1046464739.db2.gz 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C[C@H]([NH2+]CC(C)(C)CC#N)c1cc(Cl)c(Cl)cc1O ZINC000840786959 1047332316 /nfs/dbraw/zinc/33/23/16/1047332316.db2.gz GARAQLDHOBNSRL-VIFPVBQESA-N 1 1 301.217 4.289 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1Cl ZINC000652063379 1047342480 /nfs/dbraw/zinc/34/24/80/1047342480.db2.gz KLHANKYVRRTWBV-OAHLLOKOSA-N 1 1 313.775 4.136 20 30 DIEDMO CCC[C@H](C)[N@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726429161 1047349935 /nfs/dbraw/zinc/34/99/35/1047349935.db2.gz KBDZKKGDBPDIGB-AWEZNQCLSA-N 1 1 324.424 4.353 20 30 DIEDMO CC(C)[C@H](C)[N@H+]1Cc2ccc(N=Cc3cccc(O)c3O)cc2C1 ZINC000726428835 1047350477 /nfs/dbraw/zinc/35/04/77/1047350477.db2.gz HDEIOKYQEAMKMS-AWEZNQCLSA-N 1 1 324.424 4.209 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1ccc(Br)c2ccccc12 ZINC001142054354 1047361226 /nfs/dbraw/zinc/36/12/26/1047361226.db2.gz WRBZQKLIOQVHDC-UHFFFAOYSA-N 1 1 317.230 4.338 20 30 DIEDMO CC[N@H+](CCC#N)Cc1ccc(Br)c2ccccc12 ZINC001142054354 1047361211 /nfs/dbraw/zinc/36/12/11/1047361211.db2.gz 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CC(C)Oc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000538134553 1047659440 /nfs/dbraw/zinc/65/94/40/1047659440.db2.gz DZVLIHIUUUQHGB-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000538147689 1047661204 /nfs/dbraw/zinc/66/12/04/1047661204.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000538147689 1047661208 /nfs/dbraw/zinc/66/12/08/1047661208.db2.gz MXSDJOQBIRBWBS-UYAOXDASSA-N 1 1 300.490 4.185 20 30 DIEDMO COc1ccc(C[N@@H+](CCC(C)(C)C#N)[C@@H](C)C2CC2)cc1 ZINC000538466867 1047680138 /nfs/dbraw/zinc/68/01/38/1047680138.db2.gz RNQNQYHGZZCYAY-HNNXBMFYSA-N 1 1 300.446 4.236 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000538510832 1047685145 /nfs/dbraw/zinc/68/51/45/1047685145.db2.gz NJYAPIUMZOACJP-GHMZBOCLSA-N 1 1 304.315 4.387 20 30 DIEDMO Cc1ccc(CC#N)c(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001155962585 1047693810 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C=CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000538956105 1047720686 /nfs/dbraw/zinc/72/06/86/1047720686.db2.gz PXBLCRNVBRTSST-UHFFFAOYSA-N 1 1 302.805 4.454 20 30 DIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000538957168 1047721735 /nfs/dbraw/zinc/72/17/35/1047721735.db2.gz QCMRCDIOZNAVMJ-UHFFFAOYSA-N 1 1 322.408 4.068 20 30 DIEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)C1CC1 ZINC000538957168 1047721742 /nfs/dbraw/zinc/72/17/42/1047721742.db2.gz QCMRCDIOZNAVMJ-UHFFFAOYSA-N 1 1 322.408 4.068 20 30 DIEDMO Cc1[nH+]c(N(C)Cc2ccc3ccccc3c2)ccc1CC#N ZINC001156871862 1047725418 /nfs/dbraw/zinc/72/54/18/1047725418.db2.gz JQHZNHJZWFKEGW-UHFFFAOYSA-N 1 1 301.393 4.246 20 30 DIEDMO COc1ccc2cc[nH+]c(N[C@@H](C)c3cccc(C#N)c3)c2c1 ZINC001156873093 1047726060 /nfs/dbraw/zinc/72/60/60/1047726060.db2.gz BNQPCMGRRGSONP-ZDUSSCGKSA-N 1 1 303.365 4.288 20 30 DIEDMO COc1ccc2c[nH+]c(NC34CCC(C#N)(CC3)CC4)cc2c1 ZINC001158785312 1047797730 /nfs/dbraw/zinc/79/77/30/1047797730.db2.gz 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COc1cc(N[C@@H]2CCc3c2cccc3C#N)[nH+]c2ccccc21 ZINC001159916378 1047949862 /nfs/dbraw/zinc/94/98/62/1047949862.db2.gz MTVGOVQTQWHABX-GOSISDBHSA-N 1 1 315.376 4.214 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001174779261 1047971373 /nfs/dbraw/zinc/97/13/73/1047971373.db2.gz CFFCUUNDKWBQOG-DVOMOZLQSA-N 1 1 312.240 4.210 20 30 DIEDMO CCCCC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001174781279 1047972715 /nfs/dbraw/zinc/97/27/15/1047972715.db2.gz WDLIMCBYNHMMCR-RBUKOAKNSA-N 1 1 300.446 4.026 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC001160180620 1047988794 /nfs/dbraw/zinc/98/87/94/1047988794.db2.gz DKODXURIJODYMI-AWEZNQCLSA-N 1 1 322.412 4.313 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198707080 1047999759 /nfs/dbraw/zinc/99/97/59/1047999759.db2.gz QUVIKAQLMMNSRT-SFHVURJKSA-N 1 1 300.446 4.170 20 30 DIEDMO C=CCC1(O)C[NH+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1 ZINC001184339389 1048031321 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Cc1ccccc1CC1(CNc2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001161610009 1048143247 /nfs/dbraw/zinc/14/32/47/1048143247.db2.gz ODZBXQBEPXRWHV-UHFFFAOYSA-N 1 1 305.425 4.199 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718301 1048158625 /nfs/dbraw/zinc/15/86/25/1048158625.db2.gz UIKGCQHZFWNEHX-LPHOPBHVSA-N 1 1 320.440 4.133 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000480692347 1048220724 /nfs/dbraw/zinc/22/07/24/1048220724.db2.gz GKLZVVUNXDWBSR-DIFFPNOSSA-N 1 1 306.331 4.467 20 30 DIEDMO Cc1[nH+]c(NCC(C)(C)Cc2ccccc2F)ccc1CC#N ZINC001162132800 1048230681 /nfs/dbraw/zinc/23/06/81/1048230681.db2.gz HGRFEQAPHZGGJP-UHFFFAOYSA-N 1 1 311.404 4.276 20 30 DIEDMO Cc1cc(Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)c(C#N)cn1 ZINC001162177677 1048239165 /nfs/dbraw/zinc/23/91/65/1048239165.db2.gz VBZGKOSFGTZRFL-INIZCTEOSA-N 1 1 320.440 4.380 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCC2CCOCC2)cc1 ZINC001162225916 1048245947 /nfs/dbraw/zinc/24/59/47/1048245947.db2.gz ITBJVXVIAYRDPY-HXUWFJFHSA-N 1 1 314.473 4.238 20 30 DIEDMO N#CC1(Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)CCC1 ZINC001162315875 1048261022 /nfs/dbraw/zinc/26/10/22/1048261022.db2.gz QZDOCOHSCWHKJS-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO CCc1cnccc1C(=O)/C=C\c1[nH+]c(C(C)C)n2ccccc12 ZINC000776193329 1048314115 /nfs/dbraw/zinc/31/41/15/1048314115.db2.gz XEXZERHGDQMCLU-HJWRWDBZSA-N 1 1 319.408 4.311 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H](CC)CCCC)C2 ZINC001201565853 1048319793 /nfs/dbraw/zinc/31/97/93/1048319793.db2.gz LAORQPMPYWYNFT-FHWLQOOXSA-N 1 1 309.494 4.029 20 30 DIEDMO CC[N@H+](CCC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000555321856 1048319810 /nfs/dbraw/zinc/31/98/10/1048319810.db2.gz DWRDBQSIIXBRPZ-UHFFFAOYSA-N 1 1 314.379 4.332 20 30 DIEDMO CC[N@@H+](CCC#N)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000555321856 1048319824 /nfs/dbraw/zinc/31/98/24/1048319824.db2.gz DWRDBQSIIXBRPZ-UHFFFAOYSA-N 1 1 314.379 4.332 20 30 DIEDMO CC#CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175486653 1048324393 /nfs/dbraw/zinc/32/43/93/1048324393.db2.gz XHFVOBGAPWMRJG-MRXNPFEDSA-N 1 1 313.338 4.265 20 30 DIEDMO C[C@@H]1C[C@@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001162679907 1048333600 /nfs/dbraw/zinc/33/36/00/1048333600.db2.gz ATNSRZLAHCLOIY-BEFAXECRSA-N 1 1 323.415 4.162 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000481230279 1048338087 /nfs/dbraw/zinc/33/80/87/1048338087.db2.gz OXHAJVOXQVIFGC-INIZCTEOSA-N 1 1 324.424 4.314 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000481230279 1048338101 /nfs/dbraw/zinc/33/81/01/1048338101.db2.gz OXHAJVOXQVIFGC-INIZCTEOSA-N 1 1 324.424 4.314 20 30 DIEDMO Cc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC001175506297 1048339531 /nfs/dbraw/zinc/33/95/31/1048339531.db2.gz TVCFRILBFACQBR-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC001201673781 1048340579 /nfs/dbraw/zinc/34/05/79/1048340579.db2.gz NHJMVOUBGNOCCQ-HXUWFJFHSA-N 1 1 320.436 4.034 20 30 DIEDMO CC(C)Oc1ccccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001175523095 1048353534 /nfs/dbraw/zinc/35/35/34/1048353534.db2.gz OWAOPOZQBKFKRA-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO CC[N@@H+](Cc1cccc2n[nH]cc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000600108381 1048362507 /nfs/dbraw/zinc/36/25/07/1048362507.db2.gz WKNPNQBTKLVHTQ-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121500 1048367364 /nfs/dbraw/zinc/36/73/64/1048367364.db2.gz VFHXGRXUCQYJLS-RCCFBDPRSA-N 1 1 300.471 4.044 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccc(C)nc2)cc1 ZINC001162876042 1048375658 /nfs/dbraw/zinc/37/56/58/1048375658.db2.gz HPLUOYPPACKKMP-HXUWFJFHSA-N 1 1 307.441 4.325 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2cccnc21 ZINC000481345069 1048376993 /nfs/dbraw/zinc/37/69/93/1048376993.db2.gz MIDCUNCIAPEVMB-HXUWFJFHSA-N 1 1 319.452 4.489 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001201787889 1048379955 /nfs/dbraw/zinc/37/99/55/1048379955.db2.gz PHAHTJWNILBCMT-INIZCTEOSA-N 1 1 312.498 4.194 20 30 DIEDMO CCCCCCCCCC[N@H+](C)Cc1nnc2ccccn21 ZINC001201852803 1048380784 /nfs/dbraw/zinc/38/07/84/1048380784.db2.gz MJKYAVTVZWKCBQ-UHFFFAOYSA-N 1 1 302.466 4.302 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1nnc2ccccn21 ZINC001201852803 1048380798 /nfs/dbraw/zinc/38/07/98/1048380798.db2.gz MJKYAVTVZWKCBQ-UHFFFAOYSA-N 1 1 302.466 4.302 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001201826341 1048383648 /nfs/dbraw/zinc/38/36/48/1048383648.db2.gz SMMDGZQPXRAMGW-MOPGFXCFSA-N 1 1 309.494 4.007 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCCCC)C2 ZINC001201826371 1048383970 /nfs/dbraw/zinc/38/39/70/1048383970.db2.gz TZMPVQCXORTJRZ-RBUKOAKNSA-N 1 1 309.494 4.173 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201840269 1048388095 /nfs/dbraw/zinc/38/80/95/1048388095.db2.gz XPUGLROPUPLVLG-KRWDZBQOSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001201847540 1048390137 /nfs/dbraw/zinc/39/01/37/1048390137.db2.gz WZFRMTFGFOTBMH-LJQANCHMSA-N 1 1 308.510 4.071 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCn2cnc(COCC)c2C1 ZINC001201875115 1048393966 /nfs/dbraw/zinc/39/39/66/1048393966.db2.gz PYHGFJGGBYLHKZ-UHFFFAOYSA-N 1 1 321.509 4.376 20 30 DIEDMO CCCCCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC001201875301 1048394642 /nfs/dbraw/zinc/39/46/42/1048394642.db2.gz UQYQJYIIGDLFGS-UHFFFAOYSA-N 1 1 308.432 4.307 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCSC1 ZINC000555841415 1048450286 /nfs/dbraw/zinc/45/02/86/1048450286.db2.gz KLYONBRSRKHHIX-GOSISDBHSA-N 1 1 308.450 4.163 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000899995413 1048500319 /nfs/dbraw/zinc/50/03/19/1048500319.db2.gz ZMVIBDIQWMNPOX-LBPRGKRZSA-N 1 1 311.307 4.112 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000775172771 1048516705 /nfs/dbraw/zinc/51/67/05/1048516705.db2.gz JBUOSHCSSIHEDH-OKZBNKHCSA-N 1 1 310.526 4.362 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000775172768 1048517290 /nfs/dbraw/zinc/51/72/90/1048517290.db2.gz JBUOSHCSSIHEDH-KSZLIROESA-N 1 1 310.526 4.362 20 30 DIEDMO C[N@@H+](CCSc1ccc(C#N)cc1Cl)Cc1ccccc1 ZINC001188969614 1048574845 /nfs/dbraw/zinc/57/48/45/1048574845.db2.gz DCEUTTSUVXOADW-UHFFFAOYSA-N 1 1 316.857 4.436 20 30 DIEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000338917655 1048578412 /nfs/dbraw/zinc/57/84/12/1048578412.db2.gz XYAPNQLBFIGEIS-SFHVURJKSA-N 1 1 300.446 4.051 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000158606637 1048604775 /nfs/dbraw/zinc/60/47/75/1048604775.db2.gz GPAJNFDGEYJQEM-PMACEKPBSA-N 1 1 309.457 4.165 20 30 DIEDMO C#CC[N@H+](Cc1cccc(Cl)c1Br)C(C)(C)C ZINC001176287092 1048619104 /nfs/dbraw/zinc/61/91/04/1048619104.db2.gz BICROVPQUOUXPQ-UHFFFAOYSA-N 1 1 314.654 4.336 20 30 DIEDMO C#CC[N@@H+](Cc1cccc(Cl)c1Br)C(C)(C)C ZINC001176287092 1048619109 /nfs/dbraw/zinc/61/91/09/1048619109.db2.gz BICROVPQUOUXPQ-UHFFFAOYSA-N 1 1 314.654 4.336 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(F)cccc1F ZINC000850038721 1048612391 /nfs/dbraw/zinc/61/23/91/1048612391.db2.gz XYGJSMGAGFPVEP-CYBMUJFWSA-N 1 1 312.363 4.371 20 30 DIEDMO N#CCOc1ccc(C[N@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304899 1048641177 /nfs/dbraw/zinc/64/11/77/1048641177.db2.gz TUYJINFJHRNDAJ-UHFFFAOYSA-N 1 1 324.399 4.283 20 30 DIEDMO N#C[C@@H](S[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583335 1048643990 /nfs/dbraw/zinc/64/39/90/1048643990.db2.gz OBNLLONXTMOPCM-RBUKOAKNSA-N 1 1 314.498 4.467 20 30 DIEDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001176365429 1048662276 /nfs/dbraw/zinc/66/22/76/1048662276.db2.gz PTNHBWAJSAPUIZ-HNAYVOBHSA-N 1 1 308.400 4.465 20 30 DIEDMO C=C(CC)C[N@@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000483077530 1048733578 /nfs/dbraw/zinc/73/35/78/1048733578.db2.gz MXXMTIGBDRQIEJ-UHFFFAOYSA-N 1 1 310.441 4.101 20 30 DIEDMO N#Cc1ccnc(C[N@@H+](Cc2ccccc2)C2CCCCC2)c1 ZINC001190476577 1048738262 /nfs/dbraw/zinc/73/82/62/1048738262.db2.gz WPMZBXSSUZXCQO-UHFFFAOYSA-N 1 1 305.425 4.288 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001190458143 1048742281 /nfs/dbraw/zinc/74/22/81/1048742281.db2.gz XWWSBLKOUMNPEU-UHFFFAOYSA-N 1 1 306.409 4.064 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000775400432 1048761397 /nfs/dbraw/zinc/76/13/97/1048761397.db2.gz OZWNEDNCXNMEOK-LJQANCHMSA-N 1 1 320.367 4.335 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1ccccc1 ZINC000775398710 1048764092 /nfs/dbraw/zinc/76/40/92/1048764092.db2.gz AILGGPXPUCIWGY-IBGZPJMESA-N 1 1 302.377 4.196 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1ccccc1 ZINC000775398934 1048764837 /nfs/dbraw/zinc/76/48/37/1048764837.db2.gz ONPFPMPAIQKESF-IBGZPJMESA-N 1 1 320.367 4.335 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000775400157 1048764914 /nfs/dbraw/zinc/76/49/14/1048764914.db2.gz XBBVAYSASGDCQV-IBGZPJMESA-N 1 1 320.367 4.335 20 30 DIEDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC001190635202 1048768622 /nfs/dbraw/zinc/76/86/22/1048768622.db2.gz GANKDFGLUUBABB-UHFFFAOYSA-N 1 1 321.468 4.425 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279727 1048769353 /nfs/dbraw/zinc/76/93/53/1048769353.db2.gz IFTLTACKAPJGAJ-UONOGXRCSA-N 1 1 315.848 4.174 20 30 DIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000483280469 1048769873 /nfs/dbraw/zinc/76/98/73/1048769873.db2.gz LCHCIJOLYZQABV-SFHVURJKSA-N 1 1 311.429 4.169 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1nc2c(cccc2F)n1CC)c1ccccc1 ZINC000775402733 1048771960 /nfs/dbraw/zinc/77/19/60/1048771960.db2.gz CFHJQUUCKWIWBD-KRWDZBQOSA-N 1 1 321.399 4.050 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cc(-c2ccc(OC)cc2)no1 ZINC001176797616 1048787805 /nfs/dbraw/zinc/78/78/05/1048787805.db2.gz BDUOPAVDYNCKPK-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC001176771594 1048788661 /nfs/dbraw/zinc/78/86/61/1048788661.db2.gz NFQLBETXAIBIKC-MRXNPFEDSA-N 1 1 318.486 4.391 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001176771764 1048789727 /nfs/dbraw/zinc/78/97/27/1048789727.db2.gz URCJVGNNKHOQHO-INIZCTEOSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797864 1048790067 /nfs/dbraw/zinc/79/00/67/1048790067.db2.gz GHMYMVHPDOYDEX-IRXDYDNUSA-N 1 1 314.473 4.031 20 30 DIEDMO Cc1c[nH+]c(N2CCC(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC001166766840 1048790639 /nfs/dbraw/zinc/79/06/39/1048790639.db2.gz MNLLQFRKTKCASH-UHFFFAOYSA-N 1 1 305.425 4.029 20 30 DIEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC001176798688 1048794375 /nfs/dbraw/zinc/79/43/75/1048794375.db2.gz WGKAUUHTFSUXNV-HOTGVXAUSA-N 1 1 320.502 4.088 20 30 DIEDMO C=CCCC[N@@H+](CC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC001176798675 1048795081 /nfs/dbraw/zinc/79/50/81/1048795081.db2.gz VYQKPRISABHSPU-UHFFFAOYSA-N 1 1 323.799 4.317 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1noc(-c2c(F)cccc2Cl)n1 ZINC001176798675 1048795092 /nfs/dbraw/zinc/79/50/92/1048795092.db2.gz VYQKPRISABHSPU-UHFFFAOYSA-N 1 1 323.799 4.317 20 30 DIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001190944845 1048806773 /nfs/dbraw/zinc/80/67/73/1048806773.db2.gz SSDZMDDGEMCZCK-HXUWFJFHSA-N 1 1 308.400 4.251 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000483538196 1048818852 /nfs/dbraw/zinc/81/88/52/1048818852.db2.gz AHFZMYMCLSWNAL-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483578163 1048821260 /nfs/dbraw/zinc/82/12/60/1048821260.db2.gz HXFQOSLLYODDAM-FQEVSTJZSA-N 1 1 324.399 4.215 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC=C(C)C2)cc1OC ZINC001205548224 1048829837 /nfs/dbraw/zinc/82/98/37/1048829837.db2.gz QLKBBGHYKLTRPB-UHFFFAOYSA-N 1 1 307.821 4.065 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CCC=C(C)C2)cc1OC ZINC001205548224 1048829858 /nfs/dbraw/zinc/82/98/58/1048829858.db2.gz QLKBBGHYKLTRPB-UHFFFAOYSA-N 1 1 307.821 4.065 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000776574269 1048830675 /nfs/dbraw/zinc/83/06/75/1048830675.db2.gz GBQOOPAXGYJOBO-OAHLLOKOSA-N 1 1 306.837 4.123 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC001167023231 1048833747 /nfs/dbraw/zinc/83/37/47/1048833747.db2.gz ARSXXPCJKWKBRX-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)ccc1Cl ZINC001167023231 1048833758 /nfs/dbraw/zinc/83/37/58/1048833758.db2.gz ARSXXPCJKWKBRX-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852313067 1048835156 /nfs/dbraw/zinc/83/51/56/1048835156.db2.gz XPXDRCLGZSWDBT-VQTJNVASSA-N 1 1 320.436 4.046 20 30 DIEDMO CC[C@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328623 1048835744 /nfs/dbraw/zinc/83/57/44/1048835744.db2.gz JFNUTDAJGALXIE-UYAOXDASSA-N 1 1 305.425 4.090 20 30 DIEDMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328623 1048835765 /nfs/dbraw/zinc/83/57/65/1048835765.db2.gz JFNUTDAJGALXIE-UYAOXDASSA-N 1 1 305.425 4.090 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(SC(=O)N(C)C)c2)C1 ZINC000852408849 1048839067 /nfs/dbraw/zinc/83/90/67/1048839067.db2.gz BQSYFBRSMYZLGQ-HNNXBMFYSA-N 1 1 318.486 4.248 20 30 DIEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001191078714 1048842599 /nfs/dbraw/zinc/84/25/99/1048842599.db2.gz VFFICDLHDCOSMJ-IBGZPJMESA-N 1 1 308.400 4.213 20 30 DIEDMO C=CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C(C)(C)C ZINC000852554085 1048848906 /nfs/dbraw/zinc/84/89/06/1048848906.db2.gz BSXIZHBHHKBNTG-UHFFFAOYSA-N 1 1 306.475 4.247 20 30 DIEDMO CCCCCCCNC(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC001191104953 1048853328 /nfs/dbraw/zinc/85/33/28/1048853328.db2.gz XCTQZVVOASCHHG-UHFFFAOYSA-N 1 1 314.433 4.273 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686420 1048855002 /nfs/dbraw/zinc/85/50/02/1048855002.db2.gz URXDJLUSGAVPRP-BHYGNILZSA-N 1 1 309.413 4.289 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC001191134199 1048875310 /nfs/dbraw/zinc/87/53/10/1048875310.db2.gz WPFHCUZSTJIDHS-UHFFFAOYSA-N 1 1 308.853 4.265 20 30 DIEDMO Cc1csc([C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C2CC2)n1 ZINC000930238332 1048885110 /nfs/dbraw/zinc/88/51/10/1048885110.db2.gz MWHSCYQUKIAQAY-OAHLLOKOSA-N 1 1 317.845 4.218 20 30 DIEDMO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000483959054 1048885501 /nfs/dbraw/zinc/88/55/01/1048885501.db2.gz QOORKCKKOZFMEC-HXUWFJFHSA-N 1 1 324.512 4.015 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(CC#Cc2ccccc2)CC1 ZINC000483959054 1048885520 /nfs/dbraw/zinc/88/55/20/1048885520.db2.gz QOORKCKKOZFMEC-HXUWFJFHSA-N 1 1 324.512 4.015 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483957882 1048886545 /nfs/dbraw/zinc/88/65/45/1048886545.db2.gz HAESCPZSRRCZQJ-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)cc1C#N ZINC001191223466 1048903516 /nfs/dbraw/zinc/90/35/16/1048903516.db2.gz OIDICCHEDWUZCM-UTKZUKDTSA-N 1 1 304.437 4.492 20 30 DIEDMO Cc1[nH+]c2c(n1CC#Cc1ccc(C(F)(F)F)cc1)CCCC2 ZINC000853706727 1048915803 /nfs/dbraw/zinc/91/58/03/1048915803.db2.gz OOVINXNWYLTZBH-UHFFFAOYSA-N 1 1 318.342 4.141 20 30 DIEDMO COCC#CC[N@@H+](C1CC1)[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001191341293 1048921366 /nfs/dbraw/zinc/92/13/66/1048921366.db2.gz MCFDSHQVAKESDP-UXHICEINSA-N 1 1 303.490 4.240 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC001191367617 1048935270 /nfs/dbraw/zinc/93/52/70/1048935270.db2.gz RLMYHTBPLMRBPO-JKSUJKDBSA-N 1 1 306.862 4.072 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC001191367024 1048935559 /nfs/dbraw/zinc/93/55/59/1048935559.db2.gz KOHQPMDQCSEZKG-UHFFFAOYSA-N 1 1 302.462 4.483 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc(OCC(C)C)c1 ZINC001191367024 1048935563 /nfs/dbraw/zinc/93/55/63/1048935563.db2.gz KOHQPMDQCSEZKG-UHFFFAOYSA-N 1 1 302.462 4.483 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccncc1 ZINC001177885749 1048958545 /nfs/dbraw/zinc/95/85/45/1048958545.db2.gz SMJZYDBDAHHOHA-DZGCQCFKSA-N 1 1 313.470 4.070 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203686803 1048962386 /nfs/dbraw/zinc/96/23/86/1048962386.db2.gz JSLDNCSDKRQZJG-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC001203686803 1048962394 /nfs/dbraw/zinc/96/23/94/1048962394.db2.gz JSLDNCSDKRQZJG-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCOCCC#N)C1CC1 ZINC000338964114 1048991197 /nfs/dbraw/zinc/99/11/97/1048991197.db2.gz VDCXRMWTNUPGGZ-INIZCTEOSA-N 1 1 308.425 4.295 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001203764498 1048993159 /nfs/dbraw/zinc/99/31/59/1048993159.db2.gz RDDWMOJLQNBFCG-IBGZPJMESA-N 1 1 308.400 4.152 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001191742223 1048995424 /nfs/dbraw/zinc/99/54/24/1048995424.db2.gz MVRBEYCRBVONAJ-IAGOWNOFSA-N 1 1 320.864 4.237 20 30 DIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000484625775 1048998543 /nfs/dbraw/zinc/99/85/43/1048998543.db2.gz ZCLJCVVZZDWYPZ-HNNXBMFYSA-N 1 1 320.392 4.376 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000776788698 1049012228 /nfs/dbraw/zinc/01/22/28/1049012228.db2.gz SJMNSFDUQRENRB-UHFFFAOYSA-N 1 1 319.452 4.097 20 30 DIEDMO N#Cc1ccc(C[N@@H+](CCCCCCO)Cc2ccccc2)cc1 ZINC001203905925 1049028317 /nfs/dbraw/zinc/02/83/17/1049028317.db2.gz HNDWODDQHUMJTF-UHFFFAOYSA-N 1 1 322.452 4.113 20 30 DIEDMO CCCCCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001192012689 1049031127 /nfs/dbraw/zinc/03/11/27/1049031127.db2.gz IYJOQVHFAXIAES-SFHVURJKSA-N 1 1 305.462 4.344 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962176 1049046248 /nfs/dbraw/zinc/04/62/48/1049046248.db2.gz HOPDUWGVVCYXKZ-SFHVURJKSA-N 1 1 320.436 4.391 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[C@H](C)C1 ZINC000484860591 1049062842 /nfs/dbraw/zinc/06/28/42/1049062842.db2.gz IUCAJAXKULGSOR-FUHWJXTLSA-N 1 1 314.473 4.125 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC[C@@H](C)C1 ZINC000484860090 1049062976 /nfs/dbraw/zinc/06/29/76/1049062976.db2.gz IUCAJAXKULGSOR-AEFFLSMTSA-N 1 1 314.473 4.125 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000484912117 1049079000 /nfs/dbraw/zinc/07/90/00/1049079000.db2.gz RWSLBODTRLEYLO-ZFWWWQNUSA-N 1 1 322.474 4.202 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCC(C)C)no1 ZINC000904563959 1049096013 /nfs/dbraw/zinc/09/60/13/1049096013.db2.gz NFXQBVOUHLTMHW-HNNXBMFYSA-N 1 1 315.417 4.128 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500165 1049111295 /nfs/dbraw/zinc/11/12/95/1049111295.db2.gz HKBGDXULYPOCNN-IERDGZPVSA-N 1 1 323.411 4.269 20 30 DIEDMO Cc1cccc(CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC001192491042 1049111694 /nfs/dbraw/zinc/11/16/94/1049111694.db2.gz YYTGQSIIMPNPRT-UHFFFAOYSA-N 1 1 304.437 4.464 20 30 DIEDMO C=CCCCC[N@H+]1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC001192513862 1049112459 /nfs/dbraw/zinc/11/24/59/1049112459.db2.gz AKMFDBDFRFNPNH-FQEVSTJZSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCN1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001192513862 1049112463 /nfs/dbraw/zinc/11/24/63/1049112463.db2.gz AKMFDBDFRFNPNH-FQEVSTJZSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCN1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC001192513862 1049112465 /nfs/dbraw/zinc/11/24/65/1049112465.db2.gz AKMFDBDFRFNPNH-FQEVSTJZSA-N 1 1 300.490 4.329 20 30 DIEDMO C#CCC[N@@H+]1CCN(c2cccc(C(F)(F)F)c2)C[C@H]1CCC ZINC001192536964 1049116586 /nfs/dbraw/zinc/11/65/86/1049116586.db2.gz OSOKNKHXWBNQQP-QGZVFWFLSA-N 1 1 324.390 4.019 20 30 DIEDMO CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c2ccccc21 ZINC001204240059 1049117618 /nfs/dbraw/zinc/11/76/18/1049117618.db2.gz GZWDMRTYULHIPH-XGWQRUHWSA-N 1 1 319.452 4.172 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)cc1 ZINC001204304010 1049134253 /nfs/dbraw/zinc/13/42/53/1049134253.db2.gz YRKAQTDHKRTCQS-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(F)cc2F)cc1 ZINC001204304010 1049134260 /nfs/dbraw/zinc/13/42/60/1049134260.db2.gz YRKAQTDHKRTCQS-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)cc1 ZINC001204303265 1049134476 /nfs/dbraw/zinc/13/44/76/1049134476.db2.gz DKSGYPQUMFHXOK-UHFFFAOYSA-N 1 1 323.436 4.345 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC(=O)c2ccccc2)C(C)C)cc1 ZINC001204303265 1049134483 /nfs/dbraw/zinc/13/44/83/1049134483.db2.gz DKSGYPQUMFHXOK-UHFFFAOYSA-N 1 1 323.436 4.345 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001204299872 1049135157 /nfs/dbraw/zinc/13/51/57/1049135157.db2.gz CPPXJQFSCFSAAR-FQEVSTJZSA-N 1 1 323.436 4.043 20 30 DIEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)ccc1C#N ZINC001204306112 1049135929 /nfs/dbraw/zinc/13/59/29/1049135929.db2.gz GFEFZOAYZUHNEW-IFXJQAMLSA-N 1 1 324.399 4.289 20 30 DIEDMO N#Cc1cc(C[NH2+]Cc2c(Cl)oc3ccccc32)cs1 ZINC001179154432 1049136951 /nfs/dbraw/zinc/13/69/51/1049136951.db2.gz VRHIGGGOXAVKFD-UHFFFAOYSA-N 1 1 302.786 4.309 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCCCC1 ZINC001179173699 1049139433 /nfs/dbraw/zinc/13/94/33/1049139433.db2.gz VGHBLYLYYVVQNH-UHFFFAOYSA-N 1 1 312.335 4.149 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870498 1049141501 /nfs/dbraw/zinc/14/15/01/1049141501.db2.gz VFHHYIGSLQHFQP-JKSUJKDBSA-N 1 1 312.498 4.192 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000904733604 1049143407 /nfs/dbraw/zinc/14/34/07/1049143407.db2.gz XSXCTIZBOSDGEG-ZDUSSCGKSA-N 1 1 307.344 4.204 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001204332088 1049144704 /nfs/dbraw/zinc/14/47/04/1049144704.db2.gz WBVAENURKXIWKR-GOSISDBHSA-N 1 1 305.421 4.111 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204331577 1049144972 /nfs/dbraw/zinc/14/49/72/1049144972.db2.gz JNGVUSUJCTYFJT-SFHVURJKSA-N 1 1 320.436 4.391 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001204374850 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Fc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001204472163 1049169969 /nfs/dbraw/zinc/16/99/69/1049169969.db2.gz IKOGVCXELPYXIA-JTQLQIEISA-N 1 1 315.232 4.229 20 30 DIEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC001179479087 1049170568 /nfs/dbraw/zinc/17/05/68/1049170568.db2.gz IDQFITNIWQCLDB-KRWDZBQOSA-N 1 1 308.425 4.090 20 30 DIEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N ZINC001204480663 1049172765 /nfs/dbraw/zinc/17/27/65/1049172765.db2.gz VTBUCSKFGRWUGH-KXBFYZLASA-N 1 1 308.400 4.384 20 30 DIEDMO Cc1c(F)cccc1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001204513635 1049178254 /nfs/dbraw/zinc/17/82/54/1049178254.db2.gz IXOQPVHZVCOTSX-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCc2ccccc2C1 ZINC001204516907 1049180518 /nfs/dbraw/zinc/18/05/18/1049180518.db2.gz YCSWGIBEPBPALQ-FQEVSTJZSA-N 1 1 322.427 4.467 20 30 DIEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccccc2F)CC1 ZINC001203360085 1049185357 /nfs/dbraw/zinc/18/53/57/1049185357.db2.gz 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C=CC[N@H+](Cc1ccccc1)Cc1cccc2c1OC(F)(F)O2 ZINC001179997518 1049247392 /nfs/dbraw/zinc/24/73/92/1049247392.db2.gz OMTXXKSWRYRRRO-UHFFFAOYSA-N 1 1 317.335 4.196 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc2c1OC(F)(F)O2 ZINC001179997518 1049247399 /nfs/dbraw/zinc/24/73/99/1049247399.db2.gz OMTXXKSWRYRRRO-UHFFFAOYSA-N 1 1 317.335 4.196 20 30 DIEDMO C=C(C)c1ccccc1Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001204751616 1049253042 /nfs/dbraw/zinc/25/30/42/1049253042.db2.gz XPTBUFOWNQYMEF-UHFFFAOYSA-N 1 1 321.468 4.211 20 30 DIEDMO CC[N@@H+](Cc1ccnn1CC1CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001204763024 1049256974 /nfs/dbraw/zinc/25/69/74/1049256974.db2.gz HWQBOAGAXWKJBD-INIZCTEOSA-N 1 1 322.456 4.138 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC001204769767 1049259147 /nfs/dbraw/zinc/25/91/47/1049259147.db2.gz VMAXZLSXMXWWJG-UHFFFAOYSA-N 1 1 313.445 4.059 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cccc(C(=O)OC)c2)CCCC1(C)C ZINC001193921105 1049282977 /nfs/dbraw/zinc/28/29/77/1049282977.db2.gz 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318.445 4.419 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC001194306947 1049357412 /nfs/dbraw/zinc/35/74/12/1049357412.db2.gz OLHGIULWDIVGTO-UHFFFAOYSA-N 1 1 320.274 4.391 20 30 DIEDMO COc1ccc(C[N@@H+](CC#Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC001180573965 1049377668 /nfs/dbraw/zinc/37/76/68/1049377668.db2.gz HCPOSWHAFGZPBV-GOSISDBHSA-N 1 1 319.448 4.347 20 30 DIEDMO C=CCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC001194676512 1049411148 /nfs/dbraw/zinc/41/11/48/1049411148.db2.gz YGOXGSHICALGIN-HNNXBMFYSA-N 1 1 308.263 4.422 20 30 DIEDMO N#CC1(CC[N@H+]2CCC[C@H]2COc2ccccc2)CCCCC1 ZINC001194682627 1049411291 /nfs/dbraw/zinc/41/12/91/1049411291.db2.gz DITRGROWHWNLPU-SFHVURJKSA-N 1 1 312.457 4.394 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC001205225558 1049412440 /nfs/dbraw/zinc/41/24/40/1049412440.db2.gz ZAPJDCYDCRYADS-IBGZPJMESA-N 1 1 315.457 4.424 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001180866068 1049413331 /nfs/dbraw/zinc/41/33/31/1049413331.db2.gz 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CCCCC[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803840 1049478150 /nfs/dbraw/zinc/47/81/50/1049478150.db2.gz XEKWWZSJQYAEAM-KRWDZBQOSA-N 1 1 324.428 4.153 20 30 DIEDMO Cc1c(F)nccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000862224645 1049478427 /nfs/dbraw/zinc/47/84/27/1049478427.db2.gz UHGVOQCYFBWSND-UHFFFAOYSA-N 1 1 311.404 4.059 20 30 DIEDMO C=CC[C@@H]([NH2+][C@@H](C)CC12CC3CC(CC(C3)C1)C2)C(=O)OCC ZINC001181454766 1049478625 /nfs/dbraw/zinc/47/86/25/1049478625.db2.gz GDLWIVALLUNVOE-GGEQCSGTSA-N 1 1 319.489 4.079 20 30 DIEDMO C=CC[C@H]([NH2+]CC1CCC(c2ccccc2)CC1)C(=O)OCC ZINC001181457960 1049479497 /nfs/dbraw/zinc/47/94/97/1049479497.db2.gz RVZODFRWRHQIKW-KVZIAJEVSA-N 1 1 315.457 4.058 20 30 DIEDMO N#Cc1cc(C[N@@H+](Cc2ccccn2)C2CCCCC2)ccc1F ZINC001205493839 1049486008 /nfs/dbraw/zinc/48/60/08/1049486008.db2.gz VHMKUPZWUDAKDT-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195279003 1049507194 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CCCCCCCC[C@H]([NH3+])c1nc(-c2ccnc(C)c2)no1 ZINC001205831277 1049577240 /nfs/dbraw/zinc/57/72/40/1049577240.db2.gz GSVSDADVVMWDGD-HNNXBMFYSA-N 1 1 302.422 4.190 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC001205831390 1049578031 /nfs/dbraw/zinc/57/80/31/1049578031.db2.gz JSVJZPRMIOFBSN-AWEZNQCLSA-N 1 1 302.422 4.190 20 30 DIEDMO C[N@H+](Cc1ccns1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001195976968 1049595627 /nfs/dbraw/zinc/59/56/27/1049595627.db2.gz CZAKAJFRGCSQOG-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO C[N@@H+](Cc1ccns1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001195976968 1049595640 /nfs/dbraw/zinc/59/56/40/1049595640.db2.gz CZAKAJFRGCSQOG-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1Cl ZINC001196023087 1049604011 /nfs/dbraw/zinc/60/40/11/1049604011.db2.gz QQCFLDLZXYKTID-AEFFLSMTSA-N 1 1 307.865 4.064 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000488259653 1049618804 /nfs/dbraw/zinc/61/88/04/1049618804.db2.gz 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C=C(C)C[N@H+](C)C[C@@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001196293443 1049638503 /nfs/dbraw/zinc/63/85/03/1049638503.db2.gz LOMYGXXAMVZFTL-QFIPXVFZSA-N 1 1 322.496 4.410 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OCC)c1O ZINC000119935432 1049646016 /nfs/dbraw/zinc/64/60/16/1049646016.db2.gz KZTZLQWHRMKZGO-UHFFFAOYSA-N 1 1 303.427 4.041 20 30 DIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)C1 ZINC001206069306 1049646783 /nfs/dbraw/zinc/64/67/83/1049646783.db2.gz DZEVWICJZHOPJN-IBGZPJMESA-N 1 1 314.473 4.223 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)CO1 ZINC000488452808 1049657957 /nfs/dbraw/zinc/65/79/57/1049657957.db2.gz YIXVKKLIEHPXSG-UWJYYQICSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)CO1 ZINC000488452808 1049657962 /nfs/dbraw/zinc/65/79/62/1049657962.db2.gz YIXVKKLIEHPXSG-UWJYYQICSA-N 1 1 320.436 4.137 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1OC ZINC001182452915 1049658610 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Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CCCC3)s2)cc1 ZINC000593652770 1050433046 /nfs/dbraw/zinc/43/30/46/1050433046.db2.gz LPVLDKDTNOKSBC-UHFFFAOYSA-N 1 1 311.454 4.292 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000593964372 1050464421 /nfs/dbraw/zinc/46/44/21/1050464421.db2.gz GJHCHEOMNCWLJI-INIZCTEOSA-N 1 1 313.445 4.083 20 30 DIEDMO N#CC1(CCC[N@H+]2CCC[C@H]2CC2CCCC2)CCOCC1 ZINC000594053470 1050473839 /nfs/dbraw/zinc/47/38/39/1050473839.db2.gz QBFFSCYRSSVXNU-SFHVURJKSA-N 1 1 304.478 4.132 20 30 DIEDMO CCc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(CC)c1O ZINC001144147995 1050481580 /nfs/dbraw/zinc/48/15/80/1050481580.db2.gz KNQKXSFFUUNCHQ-UHFFFAOYSA-N 1 1 300.446 4.175 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000736629669 1050485482 /nfs/dbraw/zinc/48/54/82/1050485482.db2.gz STMVSTYVTDAFRY-CRAIPNDOSA-N 1 1 324.399 4.106 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1 ZINC000046517841 1050496285 /nfs/dbraw/zinc/49/62/85/1050496285.db2.gz 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DIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)c2cccnc12 ZINC000739914552 1050596374 /nfs/dbraw/zinc/59/63/74/1050596374.db2.gz KJPYQEHADDZTEJ-UHFFFAOYSA-N 1 1 301.821 4.260 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000595100041 1050607909 /nfs/dbraw/zinc/60/79/09/1050607909.db2.gz SUZWOMDNPYBJSC-ZDUSSCGKSA-N 1 1 308.372 4.413 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccccc1OC(F)F ZINC000595100040 1050608261 /nfs/dbraw/zinc/60/82/61/1050608261.db2.gz SUZWOMDNPYBJSC-CYBMUJFWSA-N 1 1 308.372 4.413 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000595092009 1050611493 /nfs/dbraw/zinc/61/14/93/1050611493.db2.gz UNRRNPHYTRADAU-QGZVFWFLSA-N 1 1 322.456 4.056 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCCCC1 ZINC000595091183 1050611578 /nfs/dbraw/zinc/61/15/78/1050611578.db2.gz NCFLQNZOLXYDFO-INIZCTEOSA-N 1 1 302.393 4.103 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(OC(F)F)c1 ZINC000595090950 1050612050 /nfs/dbraw/zinc/61/20/50/1050612050.db2.gz 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C#CC[N@@H+](Cc1cccc2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001144717427 1050668537 /nfs/dbraw/zinc/66/85/37/1050668537.db2.gz QTJZUSYTYRAIBJ-HXUWFJFHSA-N 1 1 300.405 4.291 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1F ZINC000595750383 1050668888 /nfs/dbraw/zinc/66/88/88/1050668888.db2.gz BCJQMOHGEODEGM-IBGZPJMESA-N 1 1 324.399 4.237 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2ccccc2c(Cl)n1 ZINC000788467972 1050685365 /nfs/dbraw/zinc/68/53/65/1050685365.db2.gz CBXISSPSEXOYIH-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO CC[N@H+]1CCC(N=Nc2ccnc3cc(Cl)ccc23)[C@H](C)C1 ZINC000741451812 1050686069 /nfs/dbraw/zinc/68/60/69/1050686069.db2.gz PEVAJJHWWVOYHA-GFCCVEGCSA-N 1 1 316.836 4.018 20 30 DIEDMO C=CCCCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085065 1050688336 /nfs/dbraw/zinc/68/83/36/1050688336.db2.gz FYUVUROGZQNXMW-QGZVFWFLSA-N 1 1 306.519 4.167 20 30 DIEDMO C=CCCCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC001170085065 1050688346 /nfs/dbraw/zinc/68/83/46/1050688346.db2.gz 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COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311815 1051337162 /nfs/dbraw/zinc/33/71/62/1051337162.db2.gz YYEDWXNTHSKBHR-IRXDYDNUSA-N 1 1 322.452 4.061 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311813 1051337190 /nfs/dbraw/zinc/33/71/90/1051337190.db2.gz YYEDWXNTHSKBHR-DLBZAZTESA-N 1 1 322.452 4.061 20 30 DIEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312979 1051338058 /nfs/dbraw/zinc/33/80/58/1051338058.db2.gz NCIHMTPOSQOYFQ-QGZVFWFLSA-N 1 1 322.452 4.062 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319523 1051340143 /nfs/dbraw/zinc/34/01/43/1051340143.db2.gz NUEFQXBQGCMXLQ-HZPDHXFCSA-N 1 1 308.425 4.191 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001172319556 1051340714 /nfs/dbraw/zinc/34/07/14/1051340714.db2.gz OQWGMHNYNCFVGA-BEFAXECRSA-N 1 1 308.400 4.118 20 30 DIEDMO C=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657323 1051357511 /nfs/dbraw/zinc/35/75/11/1051357511.db2.gz SBLKKHMKGCUZAE-SIKLNZKXSA-N 1 1 320.480 4.343 20 30 DIEDMO CCCCCCC[C@H](CC)[NH2+]C1CCN(CCCOC)CC1 ZINC001172346753 1051366629 /nfs/dbraw/zinc/36/66/29/1051366629.db2.gz LXNSYTGTWUXOSK-SFHVURJKSA-N 1 1 312.542 4.216 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000794392636 1051373119 /nfs/dbraw/zinc/37/31/19/1051373119.db2.gz ISPVTRLMZJQQPO-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001172357924 1051373022 /nfs/dbraw/zinc/37/30/22/1051373022.db2.gz NASJBLSORNEGPK-CABCVRRESA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001172359937 1051374273 /nfs/dbraw/zinc/37/42/73/1051374273.db2.gz GKAJFYGACZOBQU-OALUTQOASA-N 1 1 310.526 4.457 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362112 1051375327 /nfs/dbraw/zinc/37/53/27/1051375327.db2.gz SNAONYMLODRANX-KZNAEPCWSA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCC[C@@](CC)([NH2+][C@H](C)CCCC#N)C(=O)OCC ZINC001172487488 1051409760 /nfs/dbraw/zinc/40/97/60/1051409760.db2.gz BQNIQLZVZNOOBV-SJLPKXTDSA-N 1 1 310.482 4.341 20 30 DIEDMO C[C@@H](CCCC#N)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001172497322 1051417941 /nfs/dbraw/zinc/41/79/41/1051417941.db2.gz ATEHXUMBWHAAAY-SFHVURJKSA-N 1 1 321.468 4.040 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001172500578 1051420402 /nfs/dbraw/zinc/42/04/02/1051420402.db2.gz AOBWMLOQTPWEAC-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCn2c(CC)nnc2C1 ZINC001172500578 1051420407 /nfs/dbraw/zinc/42/04/07/1051420407.db2.gz AOBWMLOQTPWEAC-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001172504544 1051422550 /nfs/dbraw/zinc/42/25/50/1051422550.db2.gz GCIJDZHXAJXKAW-GOSISDBHSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172505643 1051424900 /nfs/dbraw/zinc/42/49/00/1051424900.db2.gz QYQHSSCCMRDCNB-RCCFBDPRSA-N 1 1 308.510 4.211 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172512002 1051427885 /nfs/dbraw/zinc/42/78/85/1051427885.db2.gz XTVUUEMDZBDJBN-QZTJIDSGSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCOC2(CCOCC2)C1 ZINC001172511759 1051428097 /nfs/dbraw/zinc/42/80/97/1051428097.db2.gz WINLCPRAHOIPKG-SFHVURJKSA-N 1 1 311.510 4.397 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001172511185 1051428246 /nfs/dbraw/zinc/42/82/46/1051428246.db2.gz NJYXJHGAZKKYBP-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCn2c(CC)nnc2C1 ZINC001172511185 1051428251 /nfs/dbraw/zinc/42/82/51/1051428251.db2.gz NJYXJHGAZKKYBP-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172562526 1051443389 /nfs/dbraw/zinc/44/33/89/1051443389.db2.gz FWFVIMWHWKRSGN-NQIIRXRSSA-N 1 1 302.421 4.253 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001168849383 1051456163 /nfs/dbraw/zinc/45/61/63/1051456163.db2.gz ZJXDFXPERPFJPJ-GOSISDBHSA-N 1 1 305.510 4.425 20 30 DIEDMO C=C(Br)C[NH2+][C@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001168969962 1051480886 /nfs/dbraw/zinc/48/08/86/1051480886.db2.gz YSOLPPBCEJCKSP-GFCCVEGCSA-N 1 1 322.168 4.487 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790738 1051508312 /nfs/dbraw/zinc/50/83/12/1051508312.db2.gz DOGDCQKDGWRNKV-MOPGFXCFSA-N 1 1 315.457 4.187 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ncccc2OC)cc1 ZINC001169212006 1051550817 /nfs/dbraw/zinc/55/08/17/1051550817.db2.gz HEZXJLRPMWSXOD-IBGZPJMESA-N 1 1 323.440 4.025 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000177909240 1051554256 /nfs/dbraw/zinc/55/42/56/1051554256.db2.gz KHYBONCBIUSOJK-GFCCVEGCSA-N 1 1 313.272 4.294 20 30 DIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172883418 1051565820 /nfs/dbraw/zinc/56/58/20/1051565820.db2.gz UNJGUTBVPOUDAV-KGLIPLIRSA-N 1 1 308.878 4.446 20 30 DIEDMO CO[C@@H]1CCC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946484 1051581193 /nfs/dbraw/zinc/58/11/93/1051581193.db2.gz UJUWEQFNHGVMBN-DLBZAZTESA-N 1 1 306.837 4.013 20 30 DIEDMO CO[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946484 1051581204 /nfs/dbraw/zinc/58/12/04/1051581204.db2.gz UJUWEQFNHGVMBN-DLBZAZTESA-N 1 1 306.837 4.013 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233319 1051641079 /nfs/dbraw/zinc/64/10/79/1051641079.db2.gz KXELSRKZHYIIEH-INIZCTEOSA-N 1 1 310.397 4.214 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(Oc2ccccc2)CC1 ZINC001173204485 1051643532 /nfs/dbraw/zinc/64/35/32/1051643532.db2.gz QTHOMYSFHHPMCJ-UHFFFAOYSA-N 1 1 320.436 4.380 20 30 DIEDMO C#C[C@@](C)(CC)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001169700733 1051679902 /nfs/dbraw/zinc/67/99/02/1051679902.db2.gz WSYLRMVZEBNRLP-NRFANRHFSA-N 1 1 304.437 4.416 20 30 DIEDMO CCCCCCCC[C@H](CCC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001173310298 1051681734 /nfs/dbraw/zinc/68/17/34/1051681734.db2.gz SBHVLQSIKYCZPP-HNNXBMFYSA-N 1 1 307.486 4.337 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169775121 1051690028 /nfs/dbraw/zinc/69/00/28/1051690028.db2.gz KLRMOEBIIZTHDE-IBGZPJMESA-N 1 1 316.489 4.193 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2ccccc2OC)CC1 ZINC001173327922 1051694756 /nfs/dbraw/zinc/69/47/56/1051694756.db2.gz VUCANJZQJVFWFE-TVPLGVNVSA-N 1 1 315.457 4.346 20 30 DIEDMO C=CCOC1CCC([N@@H+](CC)Cc2cccc(OC)c2)CC1 ZINC001173326984 1051695695 /nfs/dbraw/zinc/69/56/95/1051695695.db2.gz YNDJDQQZYGJGMU-UHFFFAOYSA-N 1 1 303.446 4.031 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173336791 1051697548 /nfs/dbraw/zinc/69/75/48/1051697548.db2.gz LUEHFVXGPFJUNE-KLHKWILBSA-N 1 1 300.446 4.030 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1 ZINC000805919732 1051698993 /nfs/dbraw/zinc/69/89/93/1051698993.db2.gz DXCKHWPKMVCWPC-UHFFFAOYSA-N 1 1 316.445 4.015 20 30 DIEDMO N#CCC1CCC([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001173338351 1051699420 /nfs/dbraw/zinc/69/94/20/1051699420.db2.gz DSGQXVPEQNMCCU-VJFUWPCTSA-N 1 1 300.471 4.249 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(=O)OCC(C)(C)CC#N)cc1)C(C)C ZINC000805920803 1051700750 /nfs/dbraw/zinc/70/07/50/1051700750.db2.gz OXSOEWKRSSHOSW-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO C=CC[N@H+](C)[C@@H]1C[C@@H](CC)N(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001170492027 1051701153 /nfs/dbraw/zinc/70/11/53/1051701153.db2.gz LQYAUGZPFYGBCE-MUJYYYPQSA-N 1 1 310.482 4.061 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843665 1051710903 /nfs/dbraw/zinc/71/09/03/1051710903.db2.gz HFHUVXRNBIQWQG-HOTGVXAUSA-N 1 1 309.400 4.065 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC001173320057 1051712850 /nfs/dbraw/zinc/71/28/50/1051712850.db2.gz GIRGMASSQNJNES-LYBXBRPPSA-N 1 1 315.457 4.346 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(C)CC2CCCCC2)CCCC1(C)C ZINC001169845890 1051715034 /nfs/dbraw/zinc/71/50/34/1051715034.db2.gz YBQIBASAHKYARJ-SFHVURJKSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCCc2cncs2)cc1 ZINC001169867913 1051720308 /nfs/dbraw/zinc/72/03/08/1051720308.db2.gz HKYYGYJCFDWLAK-SFHVURJKSA-N 1 1 313.470 4.121 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173597746 1051757832 /nfs/dbraw/zinc/75/78/32/1051757832.db2.gz HSHYESZTIRCDDM-LSJNQWAISA-N 1 1 300.446 4.030 20 30 DIEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)C1CCC(C)(C#N)CC1 ZINC001173592903 1051757866 /nfs/dbraw/zinc/75/78/66/1051757866.db2.gz CMLNOCSYWGWZRF-UHFFFAOYSA-N 1 1 311.351 4.005 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Sc3ccncc3)C2)CC1 ZINC001173599899 1051757965 /nfs/dbraw/zinc/75/79/65/1051757965.db2.gz SCBJMKMYXHOHNV-IIIMJFFVSA-N 1 1 315.486 4.111 20 30 DIEDMO C=CCCCC[N@H+](C)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173681688 1051771589 /nfs/dbraw/zinc/77/15/89/1051771589.db2.gz JXSXSYWNAPUNNV-HZPDHXFCSA-N 1 1 324.509 4.451 20 30 DIEDMO C=C(C)C[N@H+](CC)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173682201 1051773106 /nfs/dbraw/zinc/77/31/06/1051773106.db2.gz RRVYRMQIWYUQPP-HUUCEWRRSA-N 1 1 310.482 4.061 20 30 DIEDMO N#CCCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185640187 1051779847 /nfs/dbraw/zinc/77/98/47/1051779847.db2.gz IHGGOMZURHISKB-AWEZNQCLSA-N 1 1 311.198 4.029 20 30 DIEDMO N#CCCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000185640187 1051779855 /nfs/dbraw/zinc/77/98/55/1051779855.db2.gz IHGGOMZURHISKB-AWEZNQCLSA-N 1 1 311.198 4.029 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](C2CCC3(CCc4ccccc43)CC2)C1 ZINC001173690718 1051783210 /nfs/dbraw/zinc/78/32/10/1051783210.db2.gz ZFOAKCTYPUUBCJ-FQVISZRSSA-N 1 1 308.469 4.439 20 30 DIEDMO CC(C)c1ccc[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000767291242 1051785682 /nfs/dbraw/zinc/78/56/82/1051785682.db2.gz MKAOSEUOYUKTAR-UHFFFAOYSA-N 1 1 308.429 4.167 20 30 DIEDMO CN1c2ccccc2C(C)(C)C1=CC=[NH+]Nc1cccc(C#N)c1 ZINC000767335327 1051787113 /nfs/dbraw/zinc/78/71/13/1051787113.db2.gz BLXYOKFTGIMUSL-ZZGZBPTQSA-N 1 1 316.408 4.267 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877885 1051858586 /nfs/dbraw/zinc/85/85/86/1051858586.db2.gz QBXYEPIOEVNQKH-AWEZNQCLSA-N 1 1 310.363 4.435 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767877894 1051859340 /nfs/dbraw/zinc/85/93/40/1051859340.db2.gz QBXYEPIOEVNQKH-CQSZACIVSA-N 1 1 310.363 4.435 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000768155256 1051890206 /nfs/dbraw/zinc/89/02/06/1051890206.db2.gz XFYCCTQUGTWLQP-UHFFFAOYSA-N 1 1 302.315 4.216 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000768155256 1051890207 /nfs/dbraw/zinc/89/02/07/1051890207.db2.gz XFYCCTQUGTWLQP-UHFFFAOYSA-N 1 1 302.315 4.216 20 30 DIEDMO CC(C)(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000768140322 1051890226 /nfs/dbraw/zinc/89/02/26/1051890226.db2.gz ZAGGCXYMPFSNDA-UHFFFAOYSA-N 1 1 318.424 4.007 20 30 DIEDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000768209005 1051896181 /nfs/dbraw/zinc/89/61/81/1051896181.db2.gz WVTAFVSMNWCJOA-UHFFFAOYSA-N 1 1 313.470 4.098 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194834 1051899942 /nfs/dbraw/zinc/89/99/42/1051899942.db2.gz GDYQJESDNMDORH-HOTGVXAUSA-N 1 1 306.409 4.097 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)Cc2ccccc21 ZINC000768197354 1051902625 /nfs/dbraw/zinc/90/26/25/1051902625.db2.gz VKLGBCXUYKEWIR-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cc(Cl)ccc2O)C2CC2)cc1 ZINC000768258186 1051908840 /nfs/dbraw/zinc/90/88/40/1051908840.db2.gz SONHTBNOPPXMHS-UHFFFAOYSA-N 1 1 312.800 4.082 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000768252305 1051910234 /nfs/dbraw/zinc/91/02/34/1051910234.db2.gz JDKXTASFEIRNRV-UHFFFAOYSA-N 1 1 311.450 4.315 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000768264022 1051913161 /nfs/dbraw/zinc/91/31/61/1051913161.db2.gz YVJARTBPPYFOEQ-HNNXBMFYSA-N 1 1 316.408 4.141 20 30 DIEDMO CC[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000796972802 1051926272 /nfs/dbraw/zinc/92/62/72/1051926272.db2.gz SEQIHEXRVFVNFN-QZTJIDSGSA-N 1 1 310.372 4.131 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)COC2)[C@H](C)c1ccc(C#N)cc1 ZINC000768514878 1051943295 /nfs/dbraw/zinc/94/32/95/1051943295.db2.gz YKFNWWYFDWHKAB-OAHLLOKOSA-N 1 1 306.409 4.172 20 30 DIEDMO C=CC[N@@H+](Cc1cc2cnn(C(C)C)c2nc1Cl)C(C)C ZINC000768547803 1051945529 /nfs/dbraw/zinc/94/55/29/1051945529.db2.gz POGUDJCIFUCWED-UHFFFAOYSA-N 1 1 306.841 4.062 20 30 DIEDMO C=CC[N@H+](Cc1cc2cnn(C(C)C)c2nc1Cl)C(C)C ZINC000768547803 1051945539 /nfs/dbraw/zinc/94/55/39/1051945539.db2.gz POGUDJCIFUCWED-UHFFFAOYSA-N 1 1 306.841 4.062 20 30 DIEDMO CC[N@@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@H](C)C#N ZINC000768883075 1051975911 /nfs/dbraw/zinc/97/59/11/1051975911.db2.gz YAIHSZSHAYIWBE-LLVKDONJSA-N 1 1 302.365 4.280 20 30 DIEDMO CC[N@H+](Cc1ccc(SC(F)(F)F)cc1)C[C@H](C)C#N ZINC000768883075 1051975920 /nfs/dbraw/zinc/97/59/20/1051975920.db2.gz YAIHSZSHAYIWBE-LLVKDONJSA-N 1 1 302.365 4.280 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccoc2)Cc2cccc(F)c2)cc1 ZINC000768914188 1051982347 /nfs/dbraw/zinc/98/23/47/1051982347.db2.gz BWHMAJCXGHXXPT-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccoc2)Cc2cccc(F)c2)cc1 ZINC000768914188 1051982359 /nfs/dbraw/zinc/98/23/59/1051982359.db2.gz BWHMAJCXGHXXPT-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000768957270 1051989307 /nfs/dbraw/zinc/98/93/07/1051989307.db2.gz QVHSXVTZCNVKAA-ZWKOTPCHSA-N 1 1 308.510 4.070 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106680 1051996483 /nfs/dbraw/zinc/99/64/83/1051996483.db2.gz VZMKVJMLYZWGQL-OAQYLSRUSA-N 1 1 321.420 4.131 20 30 DIEDMO C=C(C)C[NH2+][C@@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000747475474 1051998491 /nfs/dbraw/zinc/99/84/91/1051998491.db2.gz DLHJYWHIAYMUQW-IBGZPJMESA-N 1 1 315.388 4.098 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H](C)c2ccccc2)cc1 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ZINC001229376583 1053310452 /nfs/dbraw/zinc/31/04/52/1053310452.db2.gz KLXYGXYTYVEIPH-SFHVURJKSA-N 1 1 303.446 4.313 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc(C#N)c1 ZINC000181982202 1053319077 /nfs/dbraw/zinc/31/90/77/1053319077.db2.gz CLYCPNXJHWMHRS-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc(C#N)c1 ZINC000181982218 1053319720 /nfs/dbraw/zinc/31/97/20/1053319720.db2.gz CLYCPNXJHWMHRS-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO CC[N@@H+](CCC(=O)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000182076494 1053340411 /nfs/dbraw/zinc/34/04/11/1053340411.db2.gz UCEWOHHGONOZBS-INIZCTEOSA-N 1 1 306.409 4.214 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(N2CCCC2)cc1 ZINC001320734366 1053357674 /nfs/dbraw/zinc/35/76/74/1053357674.db2.gz VHYRZNYURLJQDU-UHFFFAOYSA-N 1 1 310.441 4.111 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001545710325 1053361062 /nfs/dbraw/zinc/36/10/62/1053361062.db2.gz XSBDZTUHXWLWDM-YESZJQIVSA-N 1 1 308.510 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CC(C)(CCC#N)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000093757239 1053444910 /nfs/dbraw/zinc/44/49/10/1053444910.db2.gz CPHCCYDNGQUBRK-INIZCTEOSA-N 1 1 302.487 4.431 20 30 DIEDMO N#CCC1(C[NH2+]Cc2c(Cl)ccc(Cl)c2Cl)CC1 ZINC000619530082 1053501646 /nfs/dbraw/zinc/50/16/46/1053501646.db2.gz ZKZFGTMXXMQNMM-UHFFFAOYSA-N 1 1 303.620 4.430 20 30 DIEDMO CCCCCCC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC001322634322 1053529752 /nfs/dbraw/zinc/52/97/52/1053529752.db2.gz RWTWTIBBGVBHPU-SFHVURJKSA-N 1 1 314.477 4.315 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F ZINC000619746694 1053552907 /nfs/dbraw/zinc/55/29/07/1053552907.db2.gz IOCQEBYCBXJVKX-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccsc1 ZINC000619783677 1053559383 /nfs/dbraw/zinc/55/93/83/1053559383.db2.gz XPXCACYYJGWGMR-JTQLQIEISA-N 1 1 321.243 4.233 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000153033111 1053571644 /nfs/dbraw/zinc/57/16/44/1053571644.db2.gz KUWPBSWFRARPEB-AWEZNQCLSA-N 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Cc1nc2cc(C[N@H+](C)Cc3cccc(C#N)c3)ccc2s1 ZINC001235859074 1054825002 /nfs/dbraw/zinc/82/50/02/1054825002.db2.gz OVNWLUJOCXJKIG-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC001474595249 1054835656 /nfs/dbraw/zinc/83/56/56/1054835656.db2.gz IRZNJALJDPVOIS-TYPHKJRUSA-N 1 1 314.517 4.446 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c(O)c1 ZINC001236189452 1054987979 /nfs/dbraw/zinc/98/79/79/1054987979.db2.gz DSLAVJSFBRYVGP-LJQANCHMSA-N 1 1 317.392 4.082 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2c[nH]c3ccccc32)c(O)c1 ZINC001236189452 1054987986 /nfs/dbraw/zinc/98/79/86/1054987986.db2.gz DSLAVJSFBRYVGP-LJQANCHMSA-N 1 1 317.392 4.082 20 30 DIEDMO Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)c1 ZINC001236470564 1055129019 /nfs/dbraw/zinc/12/90/19/1055129019.db2.gz ZSSGOHPHHDAQMA-UXHICEINSA-N 1 1 315.420 4.082 20 30 DIEDMO Cc1cc(C#N)cnc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001236469969 1055130069 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CCC[N@@H+](Cc1ccc(C#N)c(Br)c1)[C@H](C)CC ZINC001236854307 1055292382 /nfs/dbraw/zinc/29/23/82/1055292382.db2.gz IQJGKHZQIHREJV-GFCCVEGCSA-N 1 1 309.251 4.331 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(C)c3C)nc2)C1 ZINC001236988681 1055326624 /nfs/dbraw/zinc/32/66/24/1055326624.db2.gz JNNFOCLEEKJTMX-SFHVURJKSA-N 1 1 304.437 4.211 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237015973 1055339376 /nfs/dbraw/zinc/33/93/76/1055339376.db2.gz GFGJHGLWGJQTAG-UHFFFAOYSA-N 1 1 302.368 4.425 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(C)(C)C)c1 ZINC001237101614 1055371383 /nfs/dbraw/zinc/37/13/83/1055371383.db2.gz ZVPLMTASJQUNKY-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nc1OC ZINC001237242800 1055408059 /nfs/dbraw/zinc/40/80/59/1055408059.db2.gz FYRMLVPRZOXAMR-UHFFFAOYSA-N 1 1 316.832 4.322 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001237306879 1055424482 /nfs/dbraw/zinc/42/44/82/1055424482.db2.gz LMMRDKUUUGYEPB-MRXNPFEDSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001237306879 1055424484 /nfs/dbraw/zinc/42/44/84/1055424484.db2.gz LMMRDKUUUGYEPB-MRXNPFEDSA-N 1 1 306.409 4.098 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)nc1 ZINC001237441437 1055454266 /nfs/dbraw/zinc/45/42/66/1055454266.db2.gz MNWKVQLXDFTNDC-UHFFFAOYSA-N 1 1 320.477 4.441 20 30 DIEDMO Cn1cc(C[N@H+](C)Cc2ccccc2Cl)c2cc(C#N)ccc21 ZINC001237468270 1055456590 /nfs/dbraw/zinc/45/65/90/1055456590.db2.gz KHYUHMKFQWPHNW-UHFFFAOYSA-N 1 1 323.827 4.335 20 30 DIEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2Cl)c2cc(C#N)ccc21 ZINC001237468270 1055456601 /nfs/dbraw/zinc/45/66/01/1055456601.db2.gz KHYUHMKFQWPHNW-UHFFFAOYSA-N 1 1 323.827 4.335 20 30 DIEDMO C=CC[N@H+](Cc1ccc(CC(=O)OCC)cc1)C1CCCCC1 ZINC001237484978 1055457962 /nfs/dbraw/zinc/45/79/62/1055457962.db2.gz IVSHQEJZQBXXLC-UHFFFAOYSA-N 1 1 315.457 4.113 20 30 DIEDMO CC[N@@H+](Cc1cccs1)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237472021 1055458674 /nfs/dbraw/zinc/45/86/74/1055458674.db2.gz AYRCBDPLAPBABK-UHFFFAOYSA-N 1 1 309.438 4.134 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237528623 1055468913 /nfs/dbraw/zinc/46/89/13/1055468913.db2.gz CYRWOHHNDQCTKW-SFHVURJKSA-N 1 1 300.352 4.420 20 30 DIEDMO C=CC[N@H+](Cc1cnc(C)c(Br)c1)C1CCCCC1 ZINC001237563405 1055476164 /nfs/dbraw/zinc/47/61/64/1055476164.db2.gz GHEQSDMYBVHZDX-UHFFFAOYSA-N 1 1 323.278 4.473 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237605798 1055485887 /nfs/dbraw/zinc/48/58/87/1055485887.db2.gz CWSWGEVLLLFDFD-ZDUSSCGKSA-N 1 1 324.815 4.052 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237605798 1055485895 /nfs/dbraw/zinc/48/58/95/1055485895.db2.gz CWSWGEVLLLFDFD-ZDUSSCGKSA-N 1 1 324.815 4.052 20 30 DIEDMO Cc1ccnc2cccc(C[N@@H+](C)Cc3cccc(C#N)c3)c12 ZINC001237637570 1055491369 /nfs/dbraw/zinc/49/13/69/1055491369.db2.gz UVEFZMKSKQVLGT-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237645267 1055494489 /nfs/dbraw/zinc/49/44/89/1055494489.db2.gz IIEYUTXGAGYHCC-UHFFFAOYSA-N 1 1 312.388 4.324 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237643700 1055495044 /nfs/dbraw/zinc/49/50/44/1055495044.db2.gz AVPKRUCSJLEOTC-HNNXBMFYSA-N 1 1 309.384 4.044 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1OC(C)C ZINC001237710584 1055513034 /nfs/dbraw/zinc/51/30/34/1055513034.db2.gz DSNZWGIDFDRFIA-UHFFFAOYSA-N 1 1 308.425 4.286 20 30 DIEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237751904 1055521398 /nfs/dbraw/zinc/52/13/98/1055521398.db2.gz AIHNRTWZVCYMHV-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237751902 1055521441 /nfs/dbraw/zinc/52/14/41/1055521441.db2.gz AIHNRTWZVCYMHV-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)cn1 ZINC001237754375 1055527136 /nfs/dbraw/zinc/52/71/36/1055527136.db2.gz UTKTYSFGLFLTNP-GOSISDBHSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)cn1 ZINC001237754375 1055527142 /nfs/dbraw/zinc/52/71/42/1055527142.db2.gz UTKTYSFGLFLTNP-GOSISDBHSA-N 1 1 311.816 4.252 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3cccc(Cl)c3)no2)C1 ZINC001237774461 1055528465 /nfs/dbraw/zinc/52/84/65/1055528465.db2.gz QTXJIVPOCJDQHY-CYBMUJFWSA-N 1 1 315.804 4.121 20 30 DIEDMO SC1CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC001237769697 1055529879 /nfs/dbraw/zinc/52/98/79/1055529879.db2.gz PZCZHEVKDBTEFF-UHFFFAOYSA-N 1 1 324.902 4.358 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807259 1055533367 /nfs/dbraw/zinc/53/33/67/1055533367.db2.gz ZTHRCEKEFFIGAH-UHFFFAOYSA-N 1 1 305.780 4.373 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(-c2ccccn2)n1 ZINC001237836329 1055540505 /nfs/dbraw/zinc/54/05/05/1055540505.db2.gz KEZCPARVVSQCQE-UHFFFAOYSA-N 1 1 315.420 4.332 20 30 DIEDMO C=CC[N@H+](Cc1cnc(C(F)(F)F)s1)C1CCCCC1 ZINC001237947803 1055563155 /nfs/dbraw/zinc/56/31/55/1055563155.db2.gz HHKFLLBKCIVVKP-UHFFFAOYSA-N 1 1 304.381 4.483 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(Cl)c(C#N)c2)cc1 ZINC001238192387 1055617617 /nfs/dbraw/zinc/61/76/17/1055617617.db2.gz RZBXOCYGSVWBPH-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cc(C)c(Br)cc1C ZINC001238281094 1055634123 /nfs/dbraw/zinc/63/41/23/1055634123.db2.gz HKIXRYSJULTWBX-UHFFFAOYSA-N 1 1 309.251 4.192 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cc(C)c(Br)cc1C ZINC001238281094 1055634129 /nfs/dbraw/zinc/63/41/29/1055634129.db2.gz HKIXRYSJULTWBX-UHFFFAOYSA-N 1 1 309.251 4.192 20 30 DIEDMO N#CC1CC[NH+](Cc2cc(F)cc(OCc3ccccc3)c2)CC1 ZINC001238378064 1055647982 /nfs/dbraw/zinc/64/79/82/1055647982.db2.gz CJMBZIAWPGEXFV-UHFFFAOYSA-N 1 1 324.399 4.140 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccccc2)C2CCC2)ccc1C#N ZINC001238416059 1055653687 /nfs/dbraw/zinc/65/36/87/1055653687.db2.gz HVCGFACHHCPUIG-UHFFFAOYSA-N 1 1 306.409 4.122 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cnc1-c1ccccc1 ZINC001238615414 1055699040 /nfs/dbraw/zinc/69/90/40/1055699040.db2.gz ORYWZOGMQWSZFO-KRWDZBQOSA-N 1 1 305.425 4.183 20 30 DIEDMO Cc1cnc(-c2ccccc2)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001238627005 1055703770 /nfs/dbraw/zinc/70/37/70/1055703770.db2.gz WGNIWIGYSHFERB-IRTIRVBGSA-N 1 1 317.436 4.324 20 30 DIEDMO COc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238637172 1055706696 /nfs/dbraw/zinc/70/66/96/1055706696.db2.gz NZZZGFVVDHVUNK-FQEVSTJZSA-N 1 1 324.399 4.237 20 30 DIEDMO COc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238637172 1055706706 /nfs/dbraw/zinc/70/67/06/1055706706.db2.gz NZZZGFVVDHVUNK-FQEVSTJZSA-N 1 1 324.399 4.237 20 30 DIEDMO C=CC1(CC(=O)Nc2cccnc2-n2cc[nH+]c2C)CCCCC1 ZINC001596488268 1055716437 /nfs/dbraw/zinc/71/64/37/1055716437.db2.gz OCSUFBRKTAXEOR-UHFFFAOYSA-N 1 1 324.428 4.041 20 30 DIEDMO C#CC[N@@H+](Cc1cc(C)cnc1SC)[C@@H]1CCc2ccccc21 ZINC001238716142 1055732407 /nfs/dbraw/zinc/73/24/07/1055732407.db2.gz GNZUIHLGKIIXQI-LJQANCHMSA-N 1 1 322.477 4.235 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)cnc1SC)[C@@H]1CCc2ccccc21 ZINC001238716142 1055732420 /nfs/dbraw/zinc/73/24/20/1055732420.db2.gz GNZUIHLGKIIXQI-LJQANCHMSA-N 1 1 322.477 4.235 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001538854002 1055736726 /nfs/dbraw/zinc/73/67/26/1055736726.db2.gz YQWBTGHFNGLXMP-KSZLIROESA-N 1 1 310.526 4.172 20 30 DIEDMO CCc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2OC)ccc1C#N ZINC001238778743 1055750607 /nfs/dbraw/zinc/75/06/07/1055750607.db2.gz QELIODBNRBLSNI-HXUWFJFHSA-N 1 1 320.436 4.466 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001566282126 1055757935 /nfs/dbraw/zinc/75/79/35/1055757935.db2.gz JFXPDBYKNRKYSI-RBUKOAKNSA-N 1 1 322.537 4.460 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239292530 1055861270 /nfs/dbraw/zinc/86/12/70/1055861270.db2.gz WYHMZOCGHKCMMC-WAEYIKQSSA-N 1 1 303.409 4.280 20 30 DIEDMO C=CCCCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001569982818 1055881518 /nfs/dbraw/zinc/88/15/18/1055881518.db2.gz FCOHRXFQVITURQ-QZTJIDSGSA-N 1 1 306.494 4.036 20 30 DIEDMO C=CCCCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001569982817 1055881566 /nfs/dbraw/zinc/88/15/66/1055881566.db2.gz FCOHRXFQVITURQ-MSOLQXFVSA-N 1 1 306.494 4.036 20 30 DIEDMO C=CCCCCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001569982820 1055881693 /nfs/dbraw/zinc/88/16/93/1055881693.db2.gz FCOHRXFQVITURQ-ZWKOTPCHSA-N 1 1 306.494 4.036 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC001539708592 1055889533 /nfs/dbraw/zinc/88/95/33/1055889533.db2.gz PCLNVBAJQPMMAY-MRXNPFEDSA-N 1 1 319.493 4.222 20 30 DIEDMO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1 ZINC000109105281 1055931381 /nfs/dbraw/zinc/93/13/81/1055931381.db2.gz CIOBTKKEAHDWMZ-UHFFFAOYSA-N 1 1 304.393 4.039 20 30 DIEDMO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)Cc1ccccc1 ZINC000109105281 1055931390 /nfs/dbraw/zinc/93/13/90/1055931390.db2.gz CIOBTKKEAHDWMZ-UHFFFAOYSA-N 1 1 304.393 4.039 20 30 DIEDMO Cc1[nH+]ccn1CCCSCc1cc(Cl)cc(C#N)c1 ZINC000902411724 1055962157 /nfs/dbraw/zinc/96/21/57/1055962157.db2.gz YKWYZYUDLXTBSV-UHFFFAOYSA-N 1 1 305.834 4.040 20 30 DIEDMO N#Cc1csc(C[NH2+]Cc2ccc(-c3cccs3)cc2)n1 ZINC001620998032 1055966811 /nfs/dbraw/zinc/96/68/11/1055966811.db2.gz ILKJOIKXMIFUMP-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H]1c1ccc(C)cc1)C(=O)OCC ZINC001621340178 1056047196 /nfs/dbraw/zinc/04/71/96/1056047196.db2.gz COADKYKQALQHLY-FHWLQOOXSA-N 1 1 315.457 4.119 20 30 DIEDMO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001542186176 1056108256 /nfs/dbraw/zinc/10/82/56/1056108256.db2.gz NYZLFLAYVSTROZ-MSOLQXFVSA-N 1 1 310.526 4.220 20 30 DIEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812471 1056155645 /nfs/dbraw/zinc/15/56/45/1056155645.db2.gz BCFUWWVMOWMJEQ-KDOFPFPSSA-N 1 1 308.429 4.064 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cc(F)c(C#N)c(F)c2)nc1 ZINC001239921644 1056161149 /nfs/dbraw/zinc/16/11/49/1056161149.db2.gz 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COc1ccc(C#N)cc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311708 1056353236 /nfs/dbraw/zinc/35/32/36/1056353236.db2.gz ZRPHKHNEOBDULC-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000554311708 1056353246 /nfs/dbraw/zinc/35/32/46/1056353246.db2.gz ZRPHKHNEOBDULC-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO N#CCCOc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001240387152 1056469182 /nfs/dbraw/zinc/46/91/82/1056469182.db2.gz ODKVQLDBXFIYSP-UHFFFAOYSA-N 1 1 318.420 4.268 20 30 DIEDMO Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc(F)c1C#N ZINC001240387074 1056469215 /nfs/dbraw/zinc/46/92/15/1056469215.db2.gz LYYYLVIACJJILQ-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO Cc1cc(F)cc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC001240388512 1056470889 /nfs/dbraw/zinc/47/08/89/1056470889.db2.gz NKMFRWVEMHRAPE-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO CCC1CCC([N@@H+](CCOc2cccc(C#N)c2)C2CC2)CC1 ZINC001615194583 1056473491 /nfs/dbraw/zinc/47/34/91/1056473491.db2.gz 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CCCCCCCC[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC001615376007 1056501724 /nfs/dbraw/zinc/50/17/24/1056501724.db2.gz OZRRYAPUHMSMDB-UHFFFAOYSA-N 1 1 312.498 4.147 20 30 DIEDMO C[C@H](C#N)C[N@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001615379313 1056502811 /nfs/dbraw/zinc/50/28/11/1056502811.db2.gz QUNGHZINTACYHJ-GFCCVEGCSA-N 1 1 317.230 4.194 20 30 DIEDMO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001615379313 1056502819 /nfs/dbraw/zinc/50/28/19/1056502819.db2.gz QUNGHZINTACYHJ-GFCCVEGCSA-N 1 1 317.230 4.194 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001615405515 1056503221 /nfs/dbraw/zinc/50/32/21/1056503221.db2.gz FWUUBDHFXQDCEY-LJQANCHMSA-N 1 1 320.436 4.337 20 30 DIEDMO COc1ccc2c(c1)CCC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC001615436319 1056509885 /nfs/dbraw/zinc/50/98/85/1056509885.db2.gz ZEEJUKODQKGQKW-UHFFFAOYSA-N 1 1 312.457 4.308 20 30 DIEDMO CC(C)[N@@H+](CCCCC#N)Cc1ccc(Br)cc1 ZINC000338735532 1056517716 /nfs/dbraw/zinc/51/77/16/1056517716.db2.gz ZYKVTORCAVDICA-UHFFFAOYSA-N 1 1 309.251 4.353 20 30 DIEDMO Cc1ccc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)cc1C#N ZINC001615559612 1056533150 /nfs/dbraw/zinc/53/31/50/1056533150.db2.gz QYVGWUZGZCUZKV-DNVCBOLYSA-N 1 1 308.400 4.384 20 30 DIEDMO CCCCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001585355012 1056537733 /nfs/dbraw/zinc/53/77/33/1056537733.db2.gz NDBOCLLMIDEZCO-LJQANCHMSA-N 1 1 316.489 4.128 20 30 DIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583410 1056539961 /nfs/dbraw/zinc/53/99/61/1056539961.db2.gz KOEAIIJPFRCDNK-INIZCTEOSA-N 1 1 315.417 4.257 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001615601548 1056543625 /nfs/dbraw/zinc/54/36/25/1056543625.db2.gz VWBGXHNWQXWLPZ-UHFFFAOYSA-N 1 1 308.853 4.265 20 30 DIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1cc(F)ccc1C ZINC001615600128 1056544037 /nfs/dbraw/zinc/54/40/37/1056544037.db2.gz FDSZMTQRDTUYMD-UHFFFAOYSA-N 1 1 306.425 4.141 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC001615645218 1056552182 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CCCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001615986125 1056604177 /nfs/dbraw/zinc/60/41/77/1056604177.db2.gz XKBKTUFFRAFLMO-QGZVFWFLSA-N 1 1 317.477 4.011 20 30 DIEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167710 1056615532 /nfs/dbraw/zinc/61/55/32/1056615532.db2.gz UXEQGSBVLHELQO-RTBURBONSA-N 1 1 314.473 4.016 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167708 1056616023 /nfs/dbraw/zinc/61/60/23/1056616023.db2.gz UXEQGSBVLHELQO-OALUTQOASA-N 1 1 314.473 4.016 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc(C3CC3)nc2)cc1 ZINC001240686694 1056640138 /nfs/dbraw/zinc/64/01/38/1056640138.db2.gz QRDHEPSTZKMNER-LJQANCHMSA-N 1 1 305.425 4.344 20 30 DIEDMO C#CC[N@@H+](CC1CC1)[C@@H](CC)c1ccc(Br)cc1 ZINC001616402027 1056650575 /nfs/dbraw/zinc/65/05/75/1056650575.db2.gz HNERKZCKJICIDA-INIZCTEOSA-N 1 1 306.247 4.245 20 30 DIEDMO C[C@@H](Nc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310502683 1056653479 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Cc1cccc(C2=CC[N@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC001616616569 1056687147 /nfs/dbraw/zinc/68/71/47/1056687147.db2.gz RHIXCAXUPKJLGV-UHFFFAOYSA-N 1 1 305.396 4.275 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](CC#Cc3ccc(F)cc3)CC2)c1 ZINC001616616569 1056687152 /nfs/dbraw/zinc/68/71/52/1056687152.db2.gz RHIXCAXUPKJLGV-UHFFFAOYSA-N 1 1 305.396 4.275 20 30 DIEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001616700475 1056702732 /nfs/dbraw/zinc/70/27/32/1056702732.db2.gz UUHOQBWNYXRCEF-HOTGVXAUSA-N 1 1 310.482 4.063 20 30 DIEDMO C=C(C)c1nc(C[NH+]2CCCC2)nc2sc3c(c21)CCCC3 ZINC001240833361 1056723080 /nfs/dbraw/zinc/72/30/80/1056723080.db2.gz UPKDFSCDSNPPHV-UHFFFAOYSA-N 1 1 313.470 4.199 20 30 DIEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888528 1056732842 /nfs/dbraw/zinc/73/28/42/1056732842.db2.gz XWOPSCAGEMKHCJ-OAQYLSRUSA-N 1 1 320.436 4.226 20 30 DIEDMO C[C@H]1CCCC[C@@H]1OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898687 1056735939 /nfs/dbraw/zinc/73/59/39/1056735939.db2.gz GOJWLPYZNTXMLE-UWJYYQICSA-N 1 1 324.468 4.243 20 30 DIEDMO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920350 1056739633 /nfs/dbraw/zinc/73/96/33/1056739633.db2.gz AHSVCKLNSDYCCG-YJBOKZPZSA-N 1 1 300.446 4.004 20 30 DIEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCCC1 ZINC001586457484 1056740221 /nfs/dbraw/zinc/74/02/21/1056740221.db2.gz MUKOAGJLYNFATA-GOSISDBHSA-N 1 1 318.505 4.036 20 30 DIEDMO CC(C)(C)c1cccc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001143110262 1056776481 /nfs/dbraw/zinc/77/64/81/1056776481.db2.gz AMWIVZXUMNHTNP-UHFFFAOYSA-N 1 1 300.446 4.348 20 30 DIEDMO Cc1ccc([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147702 1056783189 /nfs/dbraw/zinc/78/31/89/1056783189.db2.gz UDGBHBBGMIMTLS-IBGZPJMESA-N 1 1 309.840 4.489 20 30 DIEDMO C=CC[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC001617182699 1056788743 /nfs/dbraw/zinc/78/87/43/1056788743.db2.gz MBOQGFLLELESCX-SNVBAGLBSA-N 1 1 302.643 4.499 20 30 DIEDMO CCC1(CC)CCC[N@@H+](Cc2ccc(C#N)cc2OC)CC1 ZINC001617232318 1056799607 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COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000922197310 1056964607 /nfs/dbraw/zinc/96/46/07/1056964607.db2.gz GBSNUXRIRMXLRA-UHFFFAOYSA-N 1 1 320.845 4.307 20 30 DIEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3Cl)CCC2)cs1 ZINC000922215431 1056977677 /nfs/dbraw/zinc/97/76/77/1056977677.db2.gz CDGVKTOJARCARS-UHFFFAOYSA-N 1 1 302.830 4.442 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(C(F)(F)F)ccc1CC#N ZINC001241248591 1056978610 /nfs/dbraw/zinc/97/86/10/1056978610.db2.gz RTIGBJZHVWQXSR-UHFFFAOYSA-N 1 1 319.330 4.208 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347712688 1057008007 /nfs/dbraw/zinc/00/80/07/1057008007.db2.gz ASCACLNCWJLFBK-OAHLLOKOSA-N 1 1 302.809 4.047 20 30 DIEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347712688 1057008011 /nfs/dbraw/zinc/00/80/11/1057008011.db2.gz ASCACLNCWJLFBK-OAHLLOKOSA-N 1 1 302.809 4.047 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000347712687 1057008466 /nfs/dbraw/zinc/00/84/66/1057008466.db2.gz ASCACLNCWJLFBK-HNNXBMFYSA-N 1 1 302.809 4.047 20 30 DIEDMO N#CCCCC[N@H+]1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000347712687 1057008469 /nfs/dbraw/zinc/00/84/69/1057008469.db2.gz ASCACLNCWJLFBK-HNNXBMFYSA-N 1 1 302.809 4.047 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000118393076 1057017746 /nfs/dbraw/zinc/01/77/46/1057017746.db2.gz FGHQUQGFWKQNLW-LLVKDONJSA-N 1 1 319.202 4.107 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000093512932 1057038450 /nfs/dbraw/zinc/03/84/50/1057038450.db2.gz DDMQHWCVXHOUBK-SFHVURJKSA-N 1 1 311.454 4.023 20 30 DIEDMO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1cc(F)ccc1OC ZINC000922618192 1057041485 /nfs/dbraw/zinc/04/14/85/1057041485.db2.gz HNUYOEFMLYZLGZ-HNNXBMFYSA-N 1 1 304.390 4.008 20 30 DIEDMO C[C@@H]1C[C@@]1([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428957146 1057051488 /nfs/dbraw/zinc/05/14/88/1057051488.db2.gz PGPXEKCTSVLTOP-XIKOKIGWSA-N 1 1 314.791 4.376 20 30 DIEDMO C=CCc1cc(C)cnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241502040 1057070940 /nfs/dbraw/zinc/07/09/40/1057070940.db2.gz MYHQZDRTKBENOB-UHFFFAOYSA-N 1 1 304.437 4.408 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CCOCC1 ZINC000156164555 1057072098 /nfs/dbraw/zinc/07/20/98/1057072098.db2.gz JUGNVOPRQMITMZ-UHFFFAOYSA-N 1 1 320.436 4.084 20 30 DIEDMO N#CCc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC001241504175 1057073453 /nfs/dbraw/zinc/07/34/53/1057073453.db2.gz AIHLMOOKMDFNHA-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO N#CCc1cc(F)ccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241504271 1057073916 /nfs/dbraw/zinc/07/39/16/1057073916.db2.gz CZLNQOUBGJWWOT-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO N#Cc1c[nH]c2ccc(C3=CC[N@@H+](Cc4ccccc4)CC3)cc12 ZINC001241503953 1057074125 /nfs/dbraw/zinc/07/41/25/1057074125.db2.gz JRKQFXVKGDOELG-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#CCc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001241504598 1057075189 /nfs/dbraw/zinc/07/51/89/1057075189.db2.gz WBYJGZKWMKQHCY-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO O/N=C1/CCc2cc(C3=CC[N@@H+](Cc4ccccc4)CC3)ccc21 ZINC001241506905 1057076885 /nfs/dbraw/zinc/07/68/85/1057076885.db2.gz NHOQVEXIJJBDAZ-DQRAZIAOSA-N 1 1 318.420 4.100 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(SC)nc2)cc1 ZINC001241631288 1057115424 /nfs/dbraw/zinc/11/54/24/1057115424.db2.gz GTYLOKNLKQCPSE-KRWDZBQOSA-N 1 1 311.454 4.188 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000625701489 1057192726 /nfs/dbraw/zinc/19/27/26/1057192726.db2.gz RZVSKCVWBBBGAZ-OAHLLOKOSA-N 1 1 314.454 4.120 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000625701489 1057192730 /nfs/dbraw/zinc/19/27/30/1057192730.db2.gz RZVSKCVWBBBGAZ-OAHLLOKOSA-N 1 1 314.454 4.120 20 30 DIEDMO N#Cc1ncccc1-c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001242310325 1057330969 /nfs/dbraw/zinc/33/09/69/1057330969.db2.gz GBWSNUOCXPBXHV-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242314439 1057332118 /nfs/dbraw/zinc/33/21/18/1057332118.db2.gz CDYWOLRTIHESRZ-HNNXBMFYSA-N 1 1 312.457 4.229 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(F)ccc2CO)cc1 ZINC001242343023 1057339843 /nfs/dbraw/zinc/33/98/43/1057339843.db2.gz MYUFFCQFPQLFDM-HXUWFJFHSA-N 1 1 311.400 4.308 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(-c2cnc(C#N)c(C)c2)nc1 ZINC001242354683 1057343632 /nfs/dbraw/zinc/34/36/32/1057343632.db2.gz BWVKRYOUSJTYKS-FQEVSTJZSA-N 1 1 320.440 4.261 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)o1 ZINC000174250854 1057354187 /nfs/dbraw/zinc/35/41/87/1057354187.db2.gz VPTASAWGNIMWON-UHFFFAOYSA-N 1 1 322.339 4.372 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000174422816 1057360947 /nfs/dbraw/zinc/36/09/47/1057360947.db2.gz RRLAOCNGXWPTRU-FQEVSTJZSA-N 1 1 320.367 4.364 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(C)cc(C#N)c2)nc1 ZINC001242478649 1057378234 /nfs/dbraw/zinc/37/82/34/1057378234.db2.gz IYLGDFNDCODZEZ-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(C#N)ccc2C)nc1 ZINC001242544403 1057400027 /nfs/dbraw/zinc/40/00/27/1057400027.db2.gz ZAEXNJVNHRZTNM-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242580568 1057412988 /nfs/dbraw/zinc/41/29/88/1057412988.db2.gz IKKZCVZMEDNHEM-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242581914 1057413713 /nfs/dbraw/zinc/41/37/13/1057413713.db2.gz HJXVLZAKPJCCGD-IBGZPJMESA-N 1 1 309.388 4.306 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C)cc3C#N)c(C)c2)CC1 ZINC001242591800 1057416740 /nfs/dbraw/zinc/41/67/40/1057416740.db2.gz VPSCFKHUIZLTRZ-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001129292734 1057559888 /nfs/dbraw/zinc/55/98/88/1057559888.db2.gz RIAAMNDPFKZFNW-HXUWFJFHSA-N 1 1 322.537 4.462 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(CO)c2F)cc1 ZINC001243145561 1057585801 /nfs/dbraw/zinc/58/58/01/1057585801.db2.gz ZEQPDRSVTNSWFT-IBGZPJMESA-N 1 1 311.400 4.308 20 30 DIEDMO CC[N@@H+](Cc1nn(C)c2ccccc12)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256421 1057586961 /nfs/dbraw/zinc/58/69/61/1057586961.db2.gz LLCPYLXWGZSPPU-HNNXBMFYSA-N 1 1 318.424 4.028 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC000611388056 1057594462 /nfs/dbraw/zinc/59/44/62/1057594462.db2.gz CBZBVODKJSHSFN-CYBMUJFWSA-N 1 1 321.355 4.203 20 30 DIEDMO Cc1ccc(-c2cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000611387378 1057594551 /nfs/dbraw/zinc/59/45/51/1057594551.db2.gz MJAKWCKBYFCIOP-HNNXBMFYSA-N 1 1 317.392 4.373 20 30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393178 1057595046 /nfs/dbraw/zinc/59/50/46/1057595046.db2.gz MVIYKZAHNOFHKS-OALUTQOASA-N 1 1 324.424 4.068 20 30 DIEDMO CC[N@H+](Cc1nc2c(s1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000611410621 1057598440 /nfs/dbraw/zinc/59/84/40/1057598440.db2.gz GMRUCSVHOOHEPK-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO CC[N@@H+](Cc1nc2c(s1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000611410621 1057598444 /nfs/dbraw/zinc/59/84/44/1057598444.db2.gz GMRUCSVHOOHEPK-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611462410 1057599991 /nfs/dbraw/zinc/59/99/91/1057599991.db2.gz IBBAYMUKPOFMJY-UHFFFAOYSA-N 1 1 314.429 4.100 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)c(Br)c1 ZINC000611500522 1057603887 /nfs/dbraw/zinc/60/38/87/1057603887.db2.gz GQESUIPDYQDZQT-UHFFFAOYSA-N 1 1 319.246 4.228 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000731211618 1057737895 /nfs/dbraw/zinc/73/78/95/1057737895.db2.gz QZQFDZDNGKUVOV-FQEVSTJZSA-N 1 1 320.436 4.186 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212162 1057738382 /nfs/dbraw/zinc/73/83/82/1057738382.db2.gz WUNBSORTLGJLMI-UHFFFAOYSA-N 1 1 312.388 4.139 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)c1cc(F)ccc1F)CC1CCCCC1 ZINC000732667269 1057783001 /nfs/dbraw/zinc/78/30/01/1057783001.db2.gz NASBPZMXIGDGJA-GOSISDBHSA-N 1 1 309.400 4.067 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000733310230 1057811817 /nfs/dbraw/zinc/81/18/17/1057811817.db2.gz AZBYAKNITDPGLD-HXUWFJFHSA-N 1 1 320.436 4.105 20 30 DIEDMO C#CCCOc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000733326221 1057813184 /nfs/dbraw/zinc/81/31/84/1057813184.db2.gz PBOADXGAZYOIBX-UHFFFAOYSA-N 1 1 317.791 4.171 20 30 DIEDMO C[N@H+]1CCc2c(F)cc(-c3cccc(C4(C#N)CC4)c3)cc2C1 ZINC001244074699 1057859164 /nfs/dbraw/zinc/85/91/64/1057859164.db2.gz DFUSNVCMGXRWGP-UHFFFAOYSA-N 1 1 306.384 4.036 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244093925 1057866484 /nfs/dbraw/zinc/86/64/84/1057866484.db2.gz TXSHARCFHOIJPX-HXUWFJFHSA-N 1 1 303.409 4.130 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2Cl)nc1 ZINC001244327794 1057934052 /nfs/dbraw/zinc/93/40/52/1057934052.db2.gz OEOILCHJPHTSSK-SFHVURJKSA-N 1 1 311.816 4.430 20 30 DIEDMO N#Cc1cnccc1-c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001244335876 1057936612 /nfs/dbraw/zinc/93/66/12/1057936612.db2.gz OEEWKMSSECBUIQ-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C)cc2CO)cc1 ZINC001244491353 1057973931 /nfs/dbraw/zinc/97/39/31/1057973931.db2.gz IWNPEZAIJPBMIL-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244558307 1057995587 /nfs/dbraw/zinc/99/55/87/1057995587.db2.gz NXZRZGQXKJZNNT-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)cc2C)cc1 ZINC001244583542 1058001833 /nfs/dbraw/zinc/00/18/33/1058001833.db2.gz ACTHXIVWDYKRLH-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(OC)c2)cc1 ZINC001244675711 1058024371 /nfs/dbraw/zinc/02/43/71/1058024371.db2.gz OJEFSOCCJZALHY-HXUWFJFHSA-N 1 1 323.436 4.177 20 30 DIEDMO Cc1c(C#N)cccc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001244813985 1058051134 /nfs/dbraw/zinc/05/11/34/1058051134.db2.gz JTTOSGKEOGMIKT-HNNXBMFYSA-N 1 1 305.425 4.303 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3cccc(C#N)c3C)c(C)c2)CC1 ZINC001244814008 1058051371 /nfs/dbraw/zinc/05/13/71/1058051371.db2.gz KRHJOLFSTFKWFV-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C#N)c2C)nc1 ZINC001244815026 1058052028 /nfs/dbraw/zinc/05/20/28/1058052028.db2.gz FGRQZDMNBNVWRQ-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001516577732 1058182324 /nfs/dbraw/zinc/18/23/24/1058182324.db2.gz ZCXYLXATGUSBNJ-HNNXBMFYSA-N 1 1 300.446 4.212 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(N)c(Cl)c2)cc1 ZINC001245568780 1058233622 /nfs/dbraw/zinc/23/36/22/1058233622.db2.gz ZLVFFSCFNIJDFO-KRWDZBQOSA-N 1 1 313.832 4.307 20 30 DIEDMO C=CCCCCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001520904752 1058712590 /nfs/dbraw/zinc/71/25/90/1058712590.db2.gz NHUVQWPHQYFUSB-KRWDZBQOSA-N 1 1 322.880 4.195 20 30 DIEDMO CCCCCCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001521038253 1058734194 /nfs/dbraw/zinc/73/41/94/1058734194.db2.gz LIECDVGYODJALJ-ROUUACIJSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC001557510302 1058759984 /nfs/dbraw/zinc/75/99/84/1058759984.db2.gz RYDBVOPGLDNIFV-MSOLQXFVSA-N 1 1 310.526 4.221 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001278439665 1058782993 /nfs/dbraw/zinc/78/29/93/1058782993.db2.gz GKKVKXMDAGGRMB-OALUTQOASA-N 1 1 303.494 4.024 20 30 DIEDMO CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001278441778 1058808068 /nfs/dbraw/zinc/80/80/68/1058808068.db2.gz HLELXVWEVKGWJZ-HDICACEKSA-N 1 1 323.525 4.004 20 30 DIEDMO CC[C@@H]1C[C@H](N[C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300423 1058813524 /nfs/dbraw/zinc/81/35/24/1058813524.db2.gz NUFOTBOOGCPGHP-FUMNGEBKSA-N 1 1 313.489 4.154 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001557975391 1058825702 /nfs/dbraw/zinc/82/57/02/1058825702.db2.gz CGHMPHATPLZFBL-MCBHFWOFSA-N 1 1 320.521 4.236 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553693 1058996915 /nfs/dbraw/zinc/99/69/15/1058996915.db2.gz BVCSBEBJBDGPKQ-HZPDHXFCSA-N 1 1 304.469 4.432 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246781111 1059077707 /nfs/dbraw/zinc/07/77/07/1059077707.db2.gz XJUQOHBIARQTQZ-VQTJNVASSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@H+](C)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246781111 1059077726 /nfs/dbraw/zinc/07/77/26/1059077726.db2.gz XJUQOHBIARQTQZ-VQTJNVASSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246781111 1059077751 /nfs/dbraw/zinc/07/77/51/1059077751.db2.gz XJUQOHBIARQTQZ-VQTJNVASSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+](CCCOC)C1CCNCC1 ZINC001246837213 1059115029 /nfs/dbraw/zinc/11/50/29/1059115029.db2.gz RKBJAJVUQRFIIF-GOSISDBHSA-N 1 1 312.542 4.216 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](CCCOC)C1CCNCC1 ZINC001246837213 1059115043 /nfs/dbraw/zinc/11/50/43/1059115043.db2.gz RKBJAJVUQRFIIF-GOSISDBHSA-N 1 1 312.542 4.216 20 30 DIEDMO Cc1cc(C)c(CSc2nc3c(cc2C#N)CCCC3)c(C)[nH+]1 ZINC001559354735 1059180041 /nfs/dbraw/zinc/18/00/41/1059180041.db2.gz BQTBATUTOHHEGT-UHFFFAOYSA-N 1 1 323.465 4.445 20 30 DIEDMO C=CCC[C@@H](C)N(Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955642 1059199864 /nfs/dbraw/zinc/19/98/64/1059199864.db2.gz MPWSOKHZXBFALV-MRXNPFEDSA-N 1 1 304.453 4.043 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978592 1059224812 /nfs/dbraw/zinc/22/48/12/1059224812.db2.gz WKKUEOFZLCRNBR-BBRMVZONSA-N 1 1 312.379 4.006 20 30 DIEDMO C=CCC[C@H](C)N1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978592 1059224827 /nfs/dbraw/zinc/22/48/27/1059224827.db2.gz WKKUEOFZLCRNBR-BBRMVZONSA-N 1 1 312.379 4.006 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(C)cc(C)nc1C ZINC001559484033 1059255329 /nfs/dbraw/zinc/25/53/29/1059255329.db2.gz FSCVYHJNGWCRFQ-UHFFFAOYSA-N 1 1 307.441 4.291 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC(C)(C)OC1(C)C ZINC001559484574 1059258140 /nfs/dbraw/zinc/25/81/40/1059258140.db2.gz ZMVSLGYTVAVTJP-GOSISDBHSA-N 1 1 314.473 4.364 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@@H](C)c1ccc(C#N)cc1 ZINC001559494288 1059275739 /nfs/dbraw/zinc/27/57/39/1059275739.db2.gz BCZQTHUCTSACPV-LPHOPBHVSA-N 1 1 312.457 4.290 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(C)c(Cl)n1)[C@H]1CCc2ccccc21 ZINC001559499138 1059282312 /nfs/dbraw/zinc/28/23/12/1059282312.db2.gz JUDRHPZJAGTCON-SFHVURJKSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(Cl)n1)[C@H]1CCc2ccccc21 ZINC001559499138 1059282329 /nfs/dbraw/zinc/28/23/29/1059282329.db2.gz JUDRHPZJAGTCON-SFHVURJKSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](C[C@H](C)c1ccc(OC)cc1)[C@H]1CCc2ccccc21 ZINC001559499593 1059284296 /nfs/dbraw/zinc/28/42/96/1059284296.db2.gz YICBTXGCEBGCJJ-JTSKRJEESA-N 1 1 319.448 4.421 20 30 DIEDMO CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001559507813 1059297506 /nfs/dbraw/zinc/29/75/06/1059297506.db2.gz YGSOVRMPFKZCIZ-HXUWFJFHSA-N 1 1 313.489 4.032 20 30 DIEDMO CC(C)N1CCCC[C@@H]1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507813 1059297520 /nfs/dbraw/zinc/29/75/20/1059297520.db2.gz YGSOVRMPFKZCIZ-HXUWFJFHSA-N 1 1 313.489 4.032 20 30 DIEDMO CC(C)N1CCCC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507813 1059297544 /nfs/dbraw/zinc/29/75/44/1059297544.db2.gz YGSOVRMPFKZCIZ-HXUWFJFHSA-N 1 1 313.489 4.032 20 30 DIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530978 1059331178 /nfs/dbraw/zinc/33/11/78/1059331178.db2.gz IQQHVRXIMFDBPF-HZPDHXFCSA-N 1 1 300.446 4.226 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001559550793 1059359126 /nfs/dbraw/zinc/35/91/26/1059359126.db2.gz RKZFGFFHFKRVLQ-RTBURBONSA-N 1 1 314.473 4.016 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(F)c(Cl)c1 ZINC001559553860 1059370305 /nfs/dbraw/zinc/37/03/05/1059370305.db2.gz NJYWKSSYWDSLHP-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(F)c(Cl)c1 ZINC001559553860 1059370325 /nfs/dbraw/zinc/37/03/25/1059370325.db2.gz NJYWKSSYWDSLHP-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc([C@@H]([NH3+])CC)n2)cc1 ZINC001247490149 1059502077 /nfs/dbraw/zinc/50/20/77/1059502077.db2.gz BWMJNAPSENJYPJ-INIZCTEOSA-N 1 1 317.433 4.496 20 30 DIEDMO C=CCCCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001559682139 1059511036 /nfs/dbraw/zinc/51/10/36/1059511036.db2.gz ADRNUQIUHXJHAO-UHFFFAOYSA-N 1 1 313.441 4.293 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Cl)c(OC)c1 ZINC001559688727 1059516386 /nfs/dbraw/zinc/51/63/86/1059516386.db2.gz BQIWPNGFOTXXKV-UHFFFAOYSA-N 1 1 305.805 4.172 20 30 DIEDMO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717724 1059547980 /nfs/dbraw/zinc/54/79/80/1059547980.db2.gz WJFHPEUITKMJSE-OXQOHEQNSA-N 1 1 312.457 4.148 20 30 DIEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(CCCCCCC)cc2)no1 ZINC001247610069 1059571290 /nfs/dbraw/zinc/57/12/90/1059571290.db2.gz TXKUQJSHZZKRKQ-KRWDZBQOSA-N 1 1 311.429 4.273 20 30 DIEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C3CCC(CC)CC3)cc2)no1 ZINC001247608898 1059571328 /nfs/dbraw/zinc/57/13/28/1059571328.db2.gz AKVBCWYIDUBPDZ-JTTJXQCZSA-N 1 1 323.440 4.444 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(Cl)cc2Cl)no1 ZINC001247622978 1059575025 /nfs/dbraw/zinc/57/50/25/1059575025.db2.gz TZNHIFRYFMFTMD-LLVKDONJSA-N 1 1 316.163 4.149 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001247622036 1059575467 /nfs/dbraw/zinc/57/54/67/1059575467.db2.gz CYIYOYKGDWARRJ-KRWDZBQOSA-N 1 1 305.381 4.370 20 30 DIEDMO C#CCCCCCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC001559745532 1059579471 /nfs/dbraw/zinc/57/94/71/1059579471.db2.gz UMBAHWKQTUCJMU-UHFFFAOYSA-N 1 1 320.274 4.391 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3ccccc3n2)no1 ZINC001247638845 1059581273 /nfs/dbraw/zinc/58/12/73/1059581273.db2.gz DOTPXTPZODQLNG-HNNXBMFYSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cnc2C)no1 ZINC001247638562 1059581745 /nfs/dbraw/zinc/58/17/45/1059581745.db2.gz BADYDQTWFZPDKH-AWEZNQCLSA-N 1 1 320.824 4.230 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(OC)c2)no1 ZINC001247638916 1059583323 /nfs/dbraw/zinc/58/33/23/1059583323.db2.gz POCYCSDWMVLVPZ-AWEZNQCLSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccnc3ccccc32)no1 ZINC001247639156 1059583596 /nfs/dbraw/zinc/58/35/96/1059583596.db2.gz FGGHSPWVYBIVIZ-INIZCTEOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001247640958 1059584790 /nfs/dbraw/zinc/58/47/90/1059584790.db2.gz YMMBRKWWTQSKEO-INIZCTEOSA-N 1 1 324.428 4.365 20 30 DIEDMO N#Cc1ccc(CC[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC001559816539 1059653314 /nfs/dbraw/zinc/65/33/14/1059653314.db2.gz INSPHHXJKOMMHN-YPAWHYETSA-N 1 1 316.448 4.369 20 30 DIEDMO N#CCC1(C[N@@H+](Cc2ccc(F)cc2Cl)CC2CC2)CC1 ZINC001559829485 1059661317 /nfs/dbraw/zinc/66/13/17/1059661317.db2.gz VBNZDLJDFWPMKR-UHFFFAOYSA-N 1 1 306.812 4.385 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001559827574 1059662551 /nfs/dbraw/zinc/66/25/51/1059662551.db2.gz RCZOANLOHJQYFB-UHFFFAOYSA-N 1 1 302.421 4.304 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@@H](C)C1 ZINC001559870596 1059690441 /nfs/dbraw/zinc/69/04/41/1059690441.db2.gz BOSJXBUOJIEMPD-KZNAEPCWSA-N 1 1 306.494 4.112 20 30 DIEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001559906700 1059722096 /nfs/dbraw/zinc/72/20/96/1059722096.db2.gz XLQVBQGMAWOFEM-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911968 1059728936 /nfs/dbraw/zinc/72/89/36/1059728936.db2.gz QJISKVKAVZEGST-UXHICEINSA-N 1 1 305.425 4.111 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001559916560 1059730862 /nfs/dbraw/zinc/73/08/62/1059730862.db2.gz CCKYUJYACCDHRM-DLBZAZTESA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCCCC[N@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001559935986 1059746756 /nfs/dbraw/zinc/74/67/56/1059746756.db2.gz WHBSWWXBEOXQAD-HXUWFJFHSA-N 1 1 300.490 4.328 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC001559982977 1059790340 /nfs/dbraw/zinc/79/03/40/1059790340.db2.gz CDDIIMOUFBSJGZ-LLVKDONJSA-N 1 1 300.265 4.299 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C)COC ZINC001559992438 1059798508 /nfs/dbraw/zinc/79/85/08/1059798508.db2.gz AFTXJAHKURKCQX-NSHDSACASA-N 1 1 321.770 4.382 20 30 DIEDMO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000985 1059806892 /nfs/dbraw/zinc/80/68/92/1059806892.db2.gz SAYUMJHWUJCUGS-IERDGZPVSA-N 1 1 320.436 4.291 20 30 DIEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001560003692 1059810282 /nfs/dbraw/zinc/81/02/82/1059810282.db2.gz AIVPTAANNBFTNG-CHWSQXEVSA-N 1 1 308.372 4.170 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001560027187 1059839027 /nfs/dbraw/zinc/83/90/27/1059839027.db2.gz VGAPEVLRBSFKNK-CQSZACIVSA-N 1 1 313.363 4.372 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001560026818 1059843143 /nfs/dbraw/zinc/84/31/43/1059843143.db2.gz HPNPOUXACNXXTP-KRWDZBQOSA-N 1 1 312.482 4.326 20 30 DIEDMO Cc1cncc([C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)c1 ZINC001560086243 1059896949 /nfs/dbraw/zinc/89/69/49/1059896949.db2.gz ZZDJGVGRPVJDKQ-IBGZPJMESA-N 1 1 310.828 4.232 20 30 DIEDMO C=CC[C@H](C(=O)OC)[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099180 1059908080 /nfs/dbraw/zinc/90/80/80/1059908080.db2.gz DECFKJSOTNRNOK-GOSISDBHSA-N 1 1 317.473 4.085 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC001560110231 1059916127 /nfs/dbraw/zinc/91/61/27/1059916127.db2.gz FRBFWTQUQTZQIU-UHFFFAOYSA-N 1 1 317.399 4.468 20 30 DIEDMO CC(C)C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccn1 ZINC001560161512 1059953985 /nfs/dbraw/zinc/95/39/85/1059953985.db2.gz BDRRPFZJDNGIFZ-UHFFFAOYSA-N 1 1 312.844 4.245 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC001248751401 1059964369 /nfs/dbraw/zinc/96/43/69/1059964369.db2.gz VXCXVEOPBFLITJ-NRFANRHFSA-N 1 1 320.436 4.466 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001248751494 1059966355 /nfs/dbraw/zinc/96/63/55/1059966355.db2.gz YDIYSRGYUGGFFN-SFHVURJKSA-N 1 1 308.400 4.249 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)n1C)C1CCCCC1 ZINC001248777389 1059976126 /nfs/dbraw/zinc/97/61/26/1059976126.db2.gz LNFAFBSPUBKMJQ-UHFFFAOYSA-N 1 1 311.267 4.108 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)c1F ZINC001560216537 1059991420 /nfs/dbraw/zinc/99/14/20/1059991420.db2.gz DPRDHIJPHDZLBC-SFHVURJKSA-N 1 1 324.399 4.000 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)c2cc[nH]c21)[C@@H]1CCc2ccccc21 ZINC001248817712 1059996333 /nfs/dbraw/zinc/99/63/33/1059996333.db2.gz HIYNZPGYNXDIDS-HXUWFJFHSA-N 1 1 318.395 4.430 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OCc2ccccc2)cn1)C(C)(C)C ZINC001248864605 1060028792 /nfs/dbraw/zinc/02/87/92/1060028792.db2.gz LIUYRDREDVGXEM-UHFFFAOYSA-N 1 1 310.441 4.447 20 30 DIEDMO CCCCCCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001526026384 1060110582 /nfs/dbraw/zinc/11/05/82/1060110582.db2.gz LYUPFFPIZCAFLI-QGZVFWFLSA-N 1 1 324.896 4.419 20 30 DIEDMO C=CC(C)(C)CCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001534158403 1060159181 /nfs/dbraw/zinc/15/91/81/1060159181.db2.gz HZCKWDZTQBIOQQ-MRXNPFEDSA-N 1 1 322.880 4.051 20 30 DIEDMO CCCC[N@H+](C)c1ccc(NCc2ccc(OC)c(C#N)c2)cc1 ZINC001560375425 1060163310 /nfs/dbraw/zinc/16/33/10/1060163310.db2.gz CXWAQHQDAFAIHZ-UHFFFAOYSA-N 1 1 323.440 4.415 20 30 DIEDMO CCCC[N@@H+](C)c1ccc(NCc2ccc(OC)c(C#N)c2)cc1 ZINC001560375425 1060163321 /nfs/dbraw/zinc/16/33/21/1060163321.db2.gz CXWAQHQDAFAIHZ-UHFFFAOYSA-N 1 1 323.440 4.415 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244647 1060200945 /nfs/dbraw/zinc/20/09/45/1060200945.db2.gz KSIXFBJCSQVRQD-UHFFFAOYSA-N 1 1 314.429 4.092 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244647 1060200967 /nfs/dbraw/zinc/20/09/67/1060200967.db2.gz KSIXFBJCSQVRQD-UHFFFAOYSA-N 1 1 314.429 4.092 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429559 1060247904 /nfs/dbraw/zinc/24/79/04/1060247904.db2.gz 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1060348667 /nfs/dbraw/zinc/34/86/67/1060348667.db2.gz AOLQORUQWGLHAK-KRWDZBQOSA-N 1 1 308.400 4.467 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cccc(C#N)c1F ZINC001249687950 1060351172 /nfs/dbraw/zinc/35/11/72/1060351172.db2.gz VRRQZEUGAAWPAI-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001560647298 1060469243 /nfs/dbraw/zinc/46/92/43/1060469243.db2.gz UTPPAAVCVUIDPQ-WOJBJXKFSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001560647298 1060469258 /nfs/dbraw/zinc/46/92/58/1060469258.db2.gz UTPPAAVCVUIDPQ-WOJBJXKFSA-N 1 1 320.436 4.275 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCCCC2 ZINC001560668213 1060495482 /nfs/dbraw/zinc/49/54/82/1060495482.db2.gz DQOYXEYXXBSFNY-IRXDYDNUSA-N 1 1 318.486 4.179 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C/C=C/c3ccc(F)cc3)CC2)cc1 ZINC001560676062 1060511484 /nfs/dbraw/zinc/51/14/84/1060511484.db2.gz ZXTYUUMTCSRILF-OWOJBTEDSA-N 1 1 318.395 4.500 20 30 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CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001252121085 1061581464 /nfs/dbraw/zinc/58/14/64/1061581464.db2.gz CCRBJZVKIQCHBT-OALUTQOASA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001252128915 1061586317 /nfs/dbraw/zinc/58/63/17/1061586317.db2.gz RXJFEJGNOGIKKW-PKOBYXMFSA-N 1 1 304.478 4.330 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(F)c(F)c1 ZINC001474117469 1061666378 /nfs/dbraw/zinc/66/63/78/1061666378.db2.gz XRJFUSDGKGGNKB-HNNXBMFYSA-N 1 1 319.380 4.081 20 30 DIEDMO CCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001252790407 1061717942 /nfs/dbraw/zinc/71/79/42/1061717942.db2.gz ZZZZMUGCVIKXRU-LAUBAEHRSA-N 1 1 322.452 4.282 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(Br)cc2)CCCCC1 ZINC001474212031 1061768093 /nfs/dbraw/zinc/76/80/93/1061768093.db2.gz JDUJUDNMQIQJFV-UHFFFAOYSA-N 1 1 307.235 4.013 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC001252980689 1061773720 /nfs/dbraw/zinc/77/37/20/1061773720.db2.gz 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CCCCCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001466605524 1061972014 /nfs/dbraw/zinc/97/20/14/1061972014.db2.gz ZVPWQFBQIOEWPH-UHFFFAOYSA-N 1 1 300.446 4.464 20 30 DIEDMO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C(C)(C)C ZINC001474357953 1061972957 /nfs/dbraw/zinc/97/29/57/1061972957.db2.gz GKZBKXMJFAWOMK-CQSZACIVSA-N 1 1 300.446 4.117 20 30 DIEDMO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C(C)(C)C ZINC001474357953 1061972975 /nfs/dbraw/zinc/97/29/75/1061972975.db2.gz GKZBKXMJFAWOMK-CQSZACIVSA-N 1 1 300.446 4.117 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(COc2ccccc2)c1)C1CC1 ZINC001474358582 1061978754 /nfs/dbraw/zinc/97/87/54/1061978754.db2.gz KTIYPMAJRFGQBF-KRWDZBQOSA-N 1 1 320.436 4.390 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(COc2ccccc2)c1)C1CC1 ZINC001474358582 1061978778 /nfs/dbraw/zinc/97/87/78/1061978778.db2.gz KTIYPMAJRFGQBF-KRWDZBQOSA-N 1 1 320.436 4.390 20 30 DIEDMO C=CCCCCC[N@@H+](C)Cc1nc(Br)cs1 ZINC001474369005 1062001984 /nfs/dbraw/zinc/00/19/84/1062001984.db2.gz 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C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388798 1062091452 /nfs/dbraw/zinc/09/14/52/1062091452.db2.gz IKMVAHHVHOYDLN-UTKZUKDTSA-N 1 1 320.436 4.300 20 30 DIEDMO C#Cc1cccc(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001474423638 1062098685 /nfs/dbraw/zinc/09/86/85/1062098685.db2.gz KVNZBANKJSBYGA-UNMCSNQZSA-N 1 1 316.448 4.448 20 30 DIEDMO CC[N@@H+](C[C@H]1CCCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459345188 1062100579 /nfs/dbraw/zinc/10/05/79/1062100579.db2.gz DPNDTTOYJBWTBV-CRAIPNDOSA-N 1 1 300.446 4.289 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H]1CCc2ccccc21 ZINC001459344271 1062100624 /nfs/dbraw/zinc/10/06/24/1062100624.db2.gz LVYXQPBJMYKINH-JOCHJYFZSA-N 1 1 318.464 4.265 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC001459353850 1062106815 /nfs/dbraw/zinc/10/68/15/1062106815.db2.gz WGPUYVRUZGRUKW-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001254446386 1062107699 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CCCC[N@H+](CC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257834416 1063401391 /nfs/dbraw/zinc/40/13/91/1063401391.db2.gz QXCOKDDQHGULBW-UHFFFAOYSA-N 1 1 300.446 4.140 20 30 DIEDMO CCCC[N@@H+](CC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257834416 1063401407 /nfs/dbraw/zinc/40/14/07/1063401407.db2.gz QXCOKDDQHGULBW-UHFFFAOYSA-N 1 1 300.446 4.140 20 30 DIEDMO N#CCC1(C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)CC1 ZINC001473110055 1063409646 /nfs/dbraw/zinc/40/96/46/1063409646.db2.gz KRXQPDRBLGCTQV-UHFFFAOYSA-N 1 1 308.347 4.364 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(C)cc(C#N)cc1C ZINC001473114452 1063416961 /nfs/dbraw/zinc/41/69/61/1063416961.db2.gz CYHVPUKWBXTMSR-UHFFFAOYSA-N 1 1 320.436 4.372 20 30 DIEDMO CC[N@@H+](CCc1ccc(F)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001473116807 1063418629 /nfs/dbraw/zinc/41/86/29/1063418629.db2.gz CTZSNPHFKSMBTD-AWEZNQCLSA-N 1 1 314.379 4.462 20 30 DIEDMO CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001473117592 1063419009 /nfs/dbraw/zinc/41/90/09/1063419009.db2.gz 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CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001258046970 1063479085 /nfs/dbraw/zinc/47/90/85/1063479085.db2.gz GKAJDMBOXLDTIK-ZWKOTPCHSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001258046965 1063479515 /nfs/dbraw/zinc/47/95/15/1063479515.db2.gz GKAJDMBOXLDTIK-MSOLQXFVSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001258048250 1063481630 /nfs/dbraw/zinc/48/16/30/1063481630.db2.gz RWCKRVKEYSZVRO-MJGOQNOKSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001258048252 1063481871 /nfs/dbraw/zinc/48/18/71/1063481871.db2.gz RWCKRVKEYSZVRO-PKOBYXMFSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCc2cnc(SC)nc2C1 ZINC001258049185 1063482037 /nfs/dbraw/zinc/48/20/37/1063482037.db2.gz AZIMTVIDCBCYQA-AWEZNQCLSA-N 1 1 307.507 4.306 20 30 DIEDMO CCCCCCCCCCC[C@@H](C)[N@@H+]1CCn2cnnc2C1 ZINC001258051274 1063486164 /nfs/dbraw/zinc/48/61/64/1063486164.db2.gz 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FGOJWZDOTRKPBL-SFHVURJKSA-N 1 1 315.457 4.033 20 30 DIEDMO CC[NH+](CC)[C@@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC001308181939 1065793127 /nfs/dbraw/zinc/79/31/27/1065793127.db2.gz DDKPXDSPVXMCFL-NRFANRHFSA-N 1 1 321.468 4.039 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC001308488688 1066022681 /nfs/dbraw/zinc/02/26/81/1066022681.db2.gz PTEGLQHGXRMVBM-UKAVVXHISA-N 1 1 312.501 4.089 20 30 DIEDMO CSc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1C#N ZINC001308520290 1066041689 /nfs/dbraw/zinc/04/16/89/1066041689.db2.gz VZVYZVIOCLGCQW-UHFFFAOYSA-N 1 1 320.820 4.362 20 30 DIEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)ccc1C#N ZINC001308565048 1066074738 /nfs/dbraw/zinc/07/47/38/1066074738.db2.gz OYILYQBCOKEKAV-DYESRHJHSA-N 1 1 304.437 4.492 20 30 DIEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC001308568885 1066079153 /nfs/dbraw/zinc/07/91/53/1066079153.db2.gz FSNXOMWXNQTASU-ZWKOTPCHSA-N 1 1 318.436 4.113 20 30 DIEDMO Cc1ccc([C@H]2CSCC[N@@H+]2CC#Cc2ccccc2)cc1 ZINC001308574325 1066087876 /nfs/dbraw/zinc/08/78/76/1066087876.db2.gz ADNOEFRZIWFWSY-HXUWFJFHSA-N 1 1 307.462 4.137 20 30 DIEDMO Cc1ccc([C@H]2CSCC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001308574325 1066087888 /nfs/dbraw/zinc/08/78/88/1066087888.db2.gz ADNOEFRZIWFWSY-HXUWFJFHSA-N 1 1 307.462 4.137 20 30 DIEDMO CCc1cccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1O ZINC001308579622 1066097699 /nfs/dbraw/zinc/09/76/99/1066097699.db2.gz ZNDNRBFWOBTPSH-WOJBJXKFSA-N 1 1 320.436 4.226 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC001308609936 1066116242 /nfs/dbraw/zinc/11/62/42/1066116242.db2.gz VSSHFFDXYNUDKA-UHFFFAOYSA-N 1 1 322.456 4.138 20 30 DIEDMO CC[C@H]1CCC[C@H](C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615758 1066120493 /nfs/dbraw/zinc/12/04/93/1066120493.db2.gz QZMYANCEYYMJHV-PXNSSMCTSA-N 1 1 314.473 4.223 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](C)c1cccc(Br)c1 ZINC001308649230 1066137089 /nfs/dbraw/zinc/13/70/89/1066137089.db2.gz FVBATSJJYRJGGQ-CQSZACIVSA-N 1 1 323.278 4.424 20 30 DIEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001308651628 1066137738 /nfs/dbraw/zinc/13/77/38/1066137738.db2.gz UEUACQOEKPMTIS-OAHLLOKOSA-N 1 1 314.429 4.100 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC001308650934 1066137896 /nfs/dbraw/zinc/13/78/96/1066137896.db2.gz UYNOVFZVRSJTSD-HUUCEWRRSA-N 1 1 305.849 4.363 20 30 DIEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC001308651627 1066138115 /nfs/dbraw/zinc/13/81/15/1066138115.db2.gz UEUACQOEKPMTIS-HNNXBMFYSA-N 1 1 314.429 4.100 20 30 DIEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC001308663050 1066143966 /nfs/dbraw/zinc/14/39/66/1066143966.db2.gz PFXRALSXMFMLHK-UHFFFAOYSA-N 1 1 304.220 4.477 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC001308663050 1066143970 /nfs/dbraw/zinc/14/39/70/1066143970.db2.gz PFXRALSXMFMLHK-UHFFFAOYSA-N 1 1 304.220 4.477 20 30 DIEDMO C#Cc1cccc(N[C@@H]2CC[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC001308668326 1066146146 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C[C@H](CCC#N)C[N@@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001308804887 1066281974 /nfs/dbraw/zinc/28/19/74/1066281974.db2.gz XUHBPFKZFDZKKD-NXHRZFHOSA-N 1 1 300.446 4.104 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001308812724 1066289534 /nfs/dbraw/zinc/28/95/34/1066289534.db2.gz IYGJAAMIKRFUNG-QUCCMNQESA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001308849212 1066326406 /nfs/dbraw/zinc/32/64/06/1066326406.db2.gz BFRSFSMOVOIIBK-LJQANCHMSA-N 1 1 312.363 4.000 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC001308855231 1066335777 /nfs/dbraw/zinc/33/57/77/1066335777.db2.gz LVKAALIXSRKMGU-NSHDSACASA-N 1 1 300.265 4.299 20 30 DIEDMO C=CCCC[N@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308969484 1066424951 /nfs/dbraw/zinc/42/49/51/1066424951.db2.gz SVKKRHLCMPAMQQ-SJORKVTESA-N 1 1 324.509 4.310 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCSC2(CCCCC2)C1 ZINC000442668721 335001655 /nfs/dbraw/zinc/00/16/55/335001655.db2.gz FHBSHQCTRJMJDF-OAHLLOKOSA-N 1 1 300.471 4.371 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccco1 ZINC000285944343 335028149 /nfs/dbraw/zinc/02/81/49/335028149.db2.gz DQKYYZBBODKNBB-MRXNPFEDSA-N 1 1 313.397 4.238 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccco1 ZINC000286220601 335030867 /nfs/dbraw/zinc/03/08/67/335030867.db2.gz SHNAULOQLGXUJU-AWEZNQCLSA-N 1 1 322.355 4.116 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)n1 ZINC000564537474 335058234 /nfs/dbraw/zinc/05/82/34/335058234.db2.gz VNZFXEKCERWZLY-RCCFBDPRSA-N 1 1 323.465 4.173 20 30 DIEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400108 130116971 /nfs/dbraw/zinc/11/69/71/130116971.db2.gz GSNRFUKNSUSZFV-PMACEKPBSA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000409447353 332031839 /nfs/dbraw/zinc/03/18/39/332031839.db2.gz QDIFZPDQLHQZDR-QAPCUYQASA-N 1 1 300.446 4.030 20 30 DIEDMO C[C@H]([N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C1(C)CC1 ZINC000091900318 332114196 /nfs/dbraw/zinc/11/41/96/332114196.db2.gz SLEGZYOIZHGIBR-INIZCTEOSA-N 1 1 322.456 4.084 20 30 DIEDMO Cc1nc2ccc(C[N@H+](CCC#N)CC(C)(C)C)cc2s1 ZINC000426401946 332116044 /nfs/dbraw/zinc/11/60/44/332116044.db2.gz PYUIKQRPJCIPMV-UHFFFAOYSA-N 1 1 301.459 4.367 20 30 DIEDMO Cc1nc2ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc2s1 ZINC000426401946 332116045 /nfs/dbraw/zinc/11/60/45/332116045.db2.gz PYUIKQRPJCIPMV-UHFFFAOYSA-N 1 1 301.459 4.367 20 30 DIEDMO C=CC[N@@H+](CCCC1(C#N)CCOCC1)CC1CCCCC1 ZINC000410376504 332120229 /nfs/dbraw/zinc/12/02/29/332120229.db2.gz WGYNZJMXYCKMOK-UHFFFAOYSA-N 1 1 304.478 4.155 20 30 DIEDMO C[N@@H+](Cc1csc(Br)c1)CC(C)(C)CCC#N ZINC000092220255 332122386 /nfs/dbraw/zinc/12/23/86/332122386.db2.gz ONRKDLQCRBVHGI-UHFFFAOYSA-N 1 1 315.280 4.272 20 30 DIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000092660939 332129372 /nfs/dbraw/zinc/12/93/72/332129372.db2.gz XCDLCVKDDLIWKA-KRWDZBQOSA-N 1 1 300.446 4.032 20 30 DIEDMO CC(C)C1CCC(N2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000093811081 332142492 /nfs/dbraw/zinc/14/24/92/332142492.db2.gz RAJDSMLUOYRIJO-UHFFFAOYSA-N 1 1 319.537 4.149 20 30 DIEDMO C[N@@H+](CCc1c(F)cccc1Cl)Cc1cccc(C#N)c1 ZINC000531104171 332263171 /nfs/dbraw/zinc/26/31/71/332263171.db2.gz MPWLPUXGFWJBPA-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000555709515 332265540 /nfs/dbraw/zinc/26/55/40/332265540.db2.gz GPSAXHAWPKJSST-UHFFFAOYSA-N 1 1 302.830 4.462 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000426070723 335098370 /nfs/dbraw/zinc/09/83/70/335098370.db2.gz PEMUFCREPWPMHC-MRXNPFEDSA-N 1 1 312.457 4.432 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(C(C)(C)C)nc1 ZINC000560257614 332325411 /nfs/dbraw/zinc/32/54/11/332325411.db2.gz QJMFHDQABCLVIL-UHFFFAOYSA-N 1 1 309.457 4.005 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000119929134 332326578 /nfs/dbraw/zinc/32/65/78/332326578.db2.gz KRTMTAVJDXJUAI-UHFFFAOYSA-N 1 1 313.426 4.228 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)Sc3sccc32)CC1 ZINC000152979067 332332882 /nfs/dbraw/zinc/33/28/82/332332882.db2.gz RBUFTZNECFTZTI-XJKSGUPXSA-N 1 1 322.543 4.304 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)cc(Cl)c1 ZINC000560524239 332350780 /nfs/dbraw/zinc/35/07/80/332350780.db2.gz SOZQIOLDLYUVEN-UHFFFAOYSA-N 1 1 319.832 4.312 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)cc(Cl)c1 ZINC000560524239 332350781 /nfs/dbraw/zinc/35/07/81/332350781.db2.gz SOZQIOLDLYUVEN-UHFFFAOYSA-N 1 1 319.832 4.312 20 30 DIEDMO C[C@H]1C[C@@]1([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428957145 332471837 /nfs/dbraw/zinc/47/18/37/332471837.db2.gz PGPXEKCTSVLTOP-SGTLLEGYSA-N 1 1 314.791 4.376 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)c(C)c3)co2)cc1 ZINC000443999335 332647996 /nfs/dbraw/zinc/64/79/96/332647996.db2.gz ASJZOGLRVIPZNP-UHFFFAOYSA-N 1 1 317.392 4.120 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000174817519 333091258 /nfs/dbraw/zinc/09/12/58/333091258.db2.gz NMTSMWGENNRRBS-LJQANCHMSA-N 1 1 307.441 4.223 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175855541 333105679 /nfs/dbraw/zinc/10/56/79/333105679.db2.gz YKMKKZFSSGVAEM-JKSUJKDBSA-N 1 1 306.475 4.110 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000582129978 333124430 /nfs/dbraw/zinc/12/44/30/333124430.db2.gz LORJKACKWTWAFC-ZIAGYGMSSA-N 1 1 313.832 4.231 20 30 DIEDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000178514476 333140157 /nfs/dbraw/zinc/14/01/57/333140157.db2.gz MLBSBNMEPOZJSL-UHFFFAOYSA-N 1 1 323.396 4.028 20 30 DIEDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccccc1C(C)(C)C#N ZINC000178514476 333140158 /nfs/dbraw/zinc/14/01/58/333140158.db2.gz MLBSBNMEPOZJSL-UHFFFAOYSA-N 1 1 323.396 4.028 20 30 DIEDMO CCc1cc(CCC[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)on1 ZINC000516656791 333141400 /nfs/dbraw/zinc/14/14/00/333141400.db2.gz OSABQRUFQYSDBS-HNNXBMFYSA-N 1 1 311.429 4.124 20 30 DIEDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)(C)CCC#N ZINC000179788602 333155384 /nfs/dbraw/zinc/15/53/84/333155384.db2.gz FGAUNNOXIBBIGG-UHFFFAOYSA-N 1 1 309.797 4.010 20 30 DIEDMO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1F ZINC000180262194 333159953 /nfs/dbraw/zinc/15/99/53/333159953.db2.gz GPCHVQRUFVHWRQ-LRDDRELGSA-N 1 1 307.800 4.209 20 30 DIEDMO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000181738364 333171893 /nfs/dbraw/zinc/17/18/93/333171893.db2.gz VAZLGLOCVXOPPG-OLZOCXBDSA-N 1 1 315.442 4.020 20 30 DIEDMO CC[N@@H+](CCOc1cccc(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593798 333267389 /nfs/dbraw/zinc/26/73/89/333267389.db2.gz JUAIIUUFMYIIPL-KRWDZBQOSA-N 1 1 308.425 4.329 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000497612103 333269753 /nfs/dbraw/zinc/26/97/53/333269753.db2.gz QJBSFQPGFUMXHT-MRXNPFEDSA-N 1 1 324.424 4.029 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000525786553 333312130 /nfs/dbraw/zinc/31/21/30/333312130.db2.gz ZBLAKWTVMIWSHJ-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](CC)c2cccc(Cl)c2F)CC1 ZINC000161674831 333375386 /nfs/dbraw/zinc/37/53/86/333375386.db2.gz XVZJAPGUJRREPC-INIZCTEOSA-N 1 1 310.844 4.170 20 30 DIEDMO COCCCC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000271131112 334018963 /nfs/dbraw/zinc/01/89/63/334018963.db2.gz KDOGAWMIRQPZEK-UHFFFAOYSA-N 1 1 302.462 4.245 20 30 DIEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000414563301 334020644 /nfs/dbraw/zinc/02/06/44/334020644.db2.gz WFMFCVFWNVBTBD-INIZCTEOSA-N 1 1 322.493 4.150 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000277581850 334089068 /nfs/dbraw/zinc/08/90/68/334089068.db2.gz CJPJCMQQCPAESP-UHFFFAOYSA-N 1 1 300.446 4.324 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000277636490 334089614 /nfs/dbraw/zinc/08/96/14/334089614.db2.gz HEOPWJLXEGZDNK-IBGZPJMESA-N 1 1 314.473 4.078 20 30 DIEDMO CCCCCCCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000278213393 334093445 /nfs/dbraw/zinc/09/34/45/334093445.db2.gz ICBQAYVWASOCKP-QGZVFWFLSA-N 1 1 300.450 4.234 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1N1CCCC1 ZINC000278280974 334094393 /nfs/dbraw/zinc/09/43/93/334094393.db2.gz ZTGZPAGEOOZCPD-UHFFFAOYSA-N 1 1 313.489 4.439 20 30 DIEDMO CCCCCCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000280014825 334113569 /nfs/dbraw/zinc/11/35/69/334113569.db2.gz GYSGTFGKQAIXES-KRWDZBQOSA-N 1 1 300.450 4.234 20 30 DIEDMO N#CC1(CCC[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000281942673 334129693 /nfs/dbraw/zinc/12/96/93/334129693.db2.gz IXGZCMXOFPGUPX-QGZVFWFLSA-N 1 1 318.848 4.187 20 30 DIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281929772 334129846 /nfs/dbraw/zinc/12/98/46/334129846.db2.gz HWQRYWXLEPOROA-LJQANCHMSA-N 1 1 314.473 4.416 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCCC[C@H]2c2ccco2)CCOCC1 ZINC000281962031 334129931 /nfs/dbraw/zinc/12/99/31/334129931.db2.gz KMLVHDFSQUEDLG-KRWDZBQOSA-N 1 1 316.445 4.297 20 30 DIEDMO N#C[C@H]1CC[C@@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827706 334193039 /nfs/dbraw/zinc/19/30/39/334193039.db2.gz ONQVFEZDTCPABT-XJKSGUPXSA-N 1 1 309.388 4.088 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758813 334202027 /nfs/dbraw/zinc/20/20/27/334202027.db2.gz JSQIHPMYIORQBW-OWCLPIDISA-N 1 1 318.848 4.123 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000295058462 334216540 /nfs/dbraw/zinc/21/65/40/334216540.db2.gz GJGYMBFMNXGAIJ-AXFHLTTASA-N 1 1 302.365 4.171 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)c(Cl)cc1O ZINC000295848422 334227997 /nfs/dbraw/zinc/22/79/97/334227997.db2.gz AWRZWZNRJVHCAZ-VWYCJHECSA-N 1 1 313.228 4.432 20 30 DIEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000111256544 334314340 /nfs/dbraw/zinc/31/43/40/334314340.db2.gz XXYGHNWBNGIVJY-AWEZNQCLSA-N 1 1 320.864 4.182 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809323 334328038 /nfs/dbraw/zinc/32/80/38/334328038.db2.gz YOXMEDPHJQNQFN-NVXWUHKLSA-N 1 1 308.400 4.384 20 30 DIEDMO C[C@@H](c1cccs1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000049726763 334356897 /nfs/dbraw/zinc/35/68/97/334356897.db2.gz WJQPVPGRPHSPPN-AWEZNQCLSA-N 1 1 300.427 4.082 20 30 DIEDMO Cc1ccc(OC2CC[NH+](Cc3cccc(C#N)c3F)CC2)cc1 ZINC000340881702 334392809 /nfs/dbraw/zinc/39/28/09/334392809.db2.gz VNFPCSHHZYITQV-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO COc1ccc(C)[nH+]c1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000344842160 335279337 /nfs/dbraw/zinc/27/93/37/335279337.db2.gz VLRWWMVIYNLUTI-UHFFFAOYSA-N 1 1 321.424 4.215 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000444728070 338485859 /nfs/dbraw/zinc/48/58/59/338485859.db2.gz KPGVYSVFGVIIJJ-MRXNPFEDSA-N 1 1 306.409 4.220 20 30 DIEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332386647 336170664 /nfs/dbraw/zinc/17/06/64/336170664.db2.gz YFKMUURLQOAMAN-AWEZNQCLSA-N 1 1 324.428 4.009 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2cc(C)no2)C(C)(C)C)cc1 ZINC000532398876 336244819 /nfs/dbraw/zinc/24/48/19/336244819.db2.gz YHGZUUMJQJYVHZ-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000532623485 336257657 /nfs/dbraw/zinc/25/76/57/336257657.db2.gz CLDDZEASUXBUHQ-LJQANCHMSA-N 1 1 305.425 4.220 20 30 DIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000532718599 336268239 /nfs/dbraw/zinc/26/82/39/336268239.db2.gz WDMOYNCPGRPVRQ-SFHVURJKSA-N 1 1 324.472 4.430 20 30 DIEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1C#N ZINC000532745196 336269151 /nfs/dbraw/zinc/26/91/51/336269151.db2.gz IHAIMCZWTPYQGK-KRWDZBQOSA-N 1 1 310.397 4.277 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941918 336275326 /nfs/dbraw/zinc/27/53/26/336275326.db2.gz YNMMWJITYOVWHN-OXJNMPFZSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941918 336275327 /nfs/dbraw/zinc/27/53/27/336275327.db2.gz YNMMWJITYOVWHN-OXJNMPFZSA-N 1 1 306.409 4.001 20 30 DIEDMO C=CCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000301123661 336291150 /nfs/dbraw/zinc/29/11/50/336291150.db2.gz RVPJVNIMDBFHOX-UHFFFAOYSA-N 1 1 324.453 4.018 20 30 DIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C#N)cc1F ZINC000301143859 336292097 /nfs/dbraw/zinc/29/20/97/336292097.db2.gz KARDSZXLAYWSIZ-UHFFFAOYSA-N 1 1 311.404 4.150 20 30 DIEDMO CCCC[N@@H+](C)CC1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000301523727 336312284 /nfs/dbraw/zinc/31/22/84/336312284.db2.gz MIWJAQDVOPJIIR-UHFFFAOYSA-N 1 1 319.880 4.160 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C#N)cc2F)cc1 ZINC000301737735 336326632 /nfs/dbraw/zinc/32/66/32/336326632.db2.gz INZXCUMHYWULGU-ZDUSSCGKSA-N 1 1 320.371 4.365 20 30 DIEDMO C=CCO[C@@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000302183916 336352833 /nfs/dbraw/zinc/35/28/33/336352833.db2.gz SQIYSIFKVKUZKC-CYBMUJFWSA-N 1 1 322.330 4.035 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1sc(C)nc1C ZINC000352900871 336375351 /nfs/dbraw/zinc/37/53/51/336375351.db2.gz IYLXDFHVUWVSCR-UHFFFAOYSA-N 1 1 318.490 4.116 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1sc(C)nc1C ZINC000352900871 336375352 /nfs/dbraw/zinc/37/53/52/336375352.db2.gz IYLXDFHVUWVSCR-UHFFFAOYSA-N 1 1 318.490 4.116 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCC1 ZINC000418143583 336896606 /nfs/dbraw/zinc/89/66/06/336896606.db2.gz QNHJHFAVDAEAJB-UHFFFAOYSA-N 1 1 302.727 4.142 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc[nH]1 ZINC000375896940 337022633 /nfs/dbraw/zinc/02/26/33/337022633.db2.gz BPBKOHBEOIFXSO-GJZGRUSLSA-N 1 1 316.408 4.360 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000377866054 337062942 /nfs/dbraw/zinc/06/29/42/337062942.db2.gz VXLHOMZWLQRSBO-INIZCTEOSA-N 1 1 302.466 4.274 20 30 DIEDMO C=CCOc1cccc(C[NH2+]C(C)(C)c2ncc(C)s2)c1 ZINC000175983736 337148723 /nfs/dbraw/zinc/14/87/23/337148723.db2.gz VIEZUWQADKTZIF-UHFFFAOYSA-N 1 1 302.443 4.041 20 30 DIEDMO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000582912757 337216833 /nfs/dbraw/zinc/21/68/33/337216833.db2.gz HTAXKYGSQHALRK-LJQANCHMSA-N 1 1 323.440 4.229 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186925260 337260425 /nfs/dbraw/zinc/26/04/25/337260425.db2.gz GMMAKFFCWMMPDT-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266761 337296373 /nfs/dbraw/zinc/29/63/73/337296373.db2.gz VWTVGYLJKLGZEC-KDOFPFPSSA-N 1 1 321.380 4.050 20 30 DIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc1 ZINC000192029702 337302012 /nfs/dbraw/zinc/30/20/12/337302012.db2.gz LVQMIIOPGFGZPT-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1csc(C2([NH2+]Cc3ccc(C#N)c(F)c3)CCCC2)n1 ZINC000192112415 337302911 /nfs/dbraw/zinc/30/29/11/337302911.db2.gz PGQWDSMNFZXZCW-UHFFFAOYSA-N 1 1 315.417 4.021 20 30 DIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000583839258 337340760 /nfs/dbraw/zinc/34/07/60/337340760.db2.gz ASWYLNMJXLDQAC-FQEVSTJZSA-N 1 1 323.440 4.347 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000119904058 337395163 /nfs/dbraw/zinc/39/51/63/337395163.db2.gz GMOQUCPQXBIGRV-UHFFFAOYSA-N 1 1 321.355 4.061 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4cc(F)ccc43)CC2)o1 ZINC000119904058 337395164 /nfs/dbraw/zinc/39/51/64/337395164.db2.gz GMOQUCPQXBIGRV-UHFFFAOYSA-N 1 1 321.355 4.061 20 30 DIEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903759 337396153 /nfs/dbraw/zinc/39/61/53/337396153.db2.gz CZFUPAPNCBDTNI-DOTOQJQBSA-N 1 1 324.428 4.009 20 30 DIEDMO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc(C#N)cc1 ZINC000070693818 337546534 /nfs/dbraw/zinc/54/65/34/337546534.db2.gz JLTMWTWHLYECDU-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000119925466 337866377 /nfs/dbraw/zinc/86/63/77/337866377.db2.gz DFBMIMPBILIMGO-ZDUSSCGKSA-N 1 1 303.352 4.380 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000426501609 338033773 /nfs/dbraw/zinc/03/37/73/338033773.db2.gz TZVIMAKJRZNPJE-MRXNPFEDSA-N 1 1 320.845 4.093 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000426501609 338033774 /nfs/dbraw/zinc/03/37/74/338033774.db2.gz TZVIMAKJRZNPJE-MRXNPFEDSA-N 1 1 320.845 4.093 20 30 DIEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000428391904 338049988 /nfs/dbraw/zinc/04/99/88/338049988.db2.gz XVJZTYMALPOHRS-LJQANCHMSA-N 1 1 312.363 4.467 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]32)ccc1OC ZINC000428457324 338052819 /nfs/dbraw/zinc/05/28/19/338052819.db2.gz WQTGNZLIAAQUKB-IAGOWNOFSA-N 1 1 301.430 4.025 20 30 DIEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428959539 338066726 /nfs/dbraw/zinc/06/67/26/338066726.db2.gz GQSGBTGRTZEQIP-GFCCVEGCSA-N 1 1 300.402 4.270 20 30 DIEDMO CC[C@@H]1C[C@@]1([NH2+]Cc1cccc(F)c1C#N)c1cccc(C)c1 ZINC000428967723 338067147 /nfs/dbraw/zinc/06/71/47/338067147.db2.gz XZGXPYBKSVFSMV-UZLBHIALSA-N 1 1 308.400 4.421 20 30 DIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000428977479 338067379 /nfs/dbraw/zinc/06/73/79/338067379.db2.gz IVGWTIQJIKNGDX-BETUJISGSA-N 1 1 314.326 4.250 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430096194 338096246 /nfs/dbraw/zinc/09/62/46/338096246.db2.gz DOPNUFBNFHRVGR-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000430096194 338096247 /nfs/dbraw/zinc/09/62/47/338096247.db2.gz DOPNUFBNFHRVGR-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO CC[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000430747699 338113304 /nfs/dbraw/zinc/11/33/04/338113304.db2.gz YICINZWACCNFEB-OAHLLOKOSA-N 1 1 322.305 4.356 20 30 DIEDMO Cc1cc(N(C)CC(C)(C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000432146364 338147121 /nfs/dbraw/zinc/14/71/21/338147121.db2.gz BCJABAGYKQVGAL-UHFFFAOYSA-N 1 1 319.355 4.131 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC000448518412 338148247 /nfs/dbraw/zinc/14/82/47/338148247.db2.gz CGRFLEXQTUNZIL-FQEVSTJZSA-N 1 1 309.384 4.023 20 30 DIEDMO Cc1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)ccc1C#N ZINC000433203009 338185820 /nfs/dbraw/zinc/18/58/20/338185820.db2.gz VUVOTLGCDFFIJI-UHFFFAOYSA-N 1 1 306.743 4.088 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308303 338190975 /nfs/dbraw/zinc/19/09/75/338190975.db2.gz XTJQXKASSPACEW-SFHVURJKSA-N 1 1 310.828 4.396 20 30 DIEDMO CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000435126620 338232710 /nfs/dbraw/zinc/23/27/10/338232710.db2.gz OTGXCJJOYYCBLI-AWEZNQCLSA-N 1 1 320.396 4.124 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000437566473 338313589 /nfs/dbraw/zinc/31/35/89/338313589.db2.gz FWQIYBOGBBQOIS-RHSMWYFYSA-N 1 1 310.397 4.133 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000437566473 338313590 /nfs/dbraw/zinc/31/35/90/338313590.db2.gz FWQIYBOGBBQOIS-RHSMWYFYSA-N 1 1 310.397 4.133 20 30 DIEDMO C=CC[N@H+](Cc1cc2c(cccc2F)[nH]1)Cc1cccc(C#N)c1 ZINC000437686421 338318313 /nfs/dbraw/zinc/31/83/13/338318313.db2.gz KAVKEILSZCDVGL-UHFFFAOYSA-N 1 1 319.383 4.367 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000437884677 338324161 /nfs/dbraw/zinc/32/41/61/338324161.db2.gz WZDZVCBATSSICB-INIZCTEOSA-N 1 1 312.438 4.274 20 30 DIEDMO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439445856 338369581 /nfs/dbraw/zinc/36/95/81/338369581.db2.gz YLWHXKUQUGAHMZ-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1 ZINC000439445856 338369582 /nfs/dbraw/zinc/36/95/82/338369582.db2.gz YLWHXKUQUGAHMZ-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439451714 338369922 /nfs/dbraw/zinc/36/99/22/338369922.db2.gz YJNPPTMPUIPABR-SFHVURJKSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439451714 338369923 /nfs/dbraw/zinc/36/99/23/338369923.db2.gz YJNPPTMPUIPABR-SFHVURJKSA-N 1 1 313.832 4.277 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1nc(C)cs1 ZINC000440368598 338386340 /nfs/dbraw/zinc/38/63/40/338386340.db2.gz UFLSHDJGNMDOEK-KRWDZBQOSA-N 1 1 318.873 4.371 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440544979 338389914 /nfs/dbraw/zinc/38/99/14/338389914.db2.gz BZOAGKXUOWLCDB-UWVAXJGDSA-N 1 1 318.505 4.376 20 30 DIEDMO CSc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000440623034 338392938 /nfs/dbraw/zinc/39/29/38/338392938.db2.gz KKKMDRSJMPXFLG-LBPRGKRZSA-N 1 1 300.402 4.270 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1ccccc1Cl)c1nc(C)cs1 ZINC000441255403 338406752 /nfs/dbraw/zinc/40/67/52/338406752.db2.gz OCWZCTUZOBYGMK-QGZVFWFLSA-N 1 1 318.873 4.371 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000442777800 338430572 /nfs/dbraw/zinc/43/05/72/338430572.db2.gz JCBDYBGSLZIEBC-MZMPZRCHSA-N 1 1 311.816 4.106 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000159761874 338531919 /nfs/dbraw/zinc/53/19/19/338531919.db2.gz MLHLZLNSRLXCLP-LBPRGKRZSA-N 1 1 304.315 4.428 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc(F)c(F)c1 ZINC000459531878 339034293 /nfs/dbraw/zinc/03/42/93/339034293.db2.gz MYGJCSOXGMIYIG-QGZVFWFLSA-N 1 1 315.367 4.039 20 30 DIEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)c1 ZINC000459645685 339040155 /nfs/dbraw/zinc/04/01/55/339040155.db2.gz HAFCFAIXOAPPNW-CYBMUJFWSA-N 1 1 314.454 4.047 20 30 DIEDMO C[C@@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000503433978 339069438 /nfs/dbraw/zinc/06/94/38/339069438.db2.gz KCFVGSXHJMFUMP-XIKOKIGWSA-N 1 1 314.791 4.376 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(Cl)cccc1C#N ZINC000462789454 339088778 /nfs/dbraw/zinc/08/87/78/339088778.db2.gz KHHRPGWRNXGEAG-CQSZACIVSA-N 1 1 305.853 4.278 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000463071654 339104093 /nfs/dbraw/zinc/10/40/93/339104093.db2.gz ADAPYVJALKQOAH-UHFFFAOYSA-N 1 1 320.358 4.331 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1cccc(Br)c1 ZINC000463412182 339116950 /nfs/dbraw/zinc/11/69/50/339116950.db2.gz HZUAAZGNEMQQAV-UHFFFAOYSA-N 1 1 323.278 4.253 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463436870 339117633 /nfs/dbraw/zinc/11/76/33/339117633.db2.gz CFPCGCBBXGTJJV-HIFRSBDPSA-N 1 1 314.326 4.250 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463444089 339118030 /nfs/dbraw/zinc/11/80/30/339118030.db2.gz PZHBMDQOXCPNHG-CVEARBPZSA-N 1 1 313.338 4.230 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743602 339150602 /nfs/dbraw/zinc/15/06/02/339150602.db2.gz ZJPXLBULRZZGPX-QRWLVFNGSA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743600 339150640 /nfs/dbraw/zinc/15/06/40/339150640.db2.gz ZJPXLBULRZZGPX-FOIQADDNSA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852782 339157854 /nfs/dbraw/zinc/15/78/54/339157854.db2.gz CDWRZERSECOBRZ-DOTOQJQBSA-N 1 1 310.397 4.003 20 30 DIEDMO N#CCSCCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000464873931 339159661 /nfs/dbraw/zinc/15/96/61/339159661.db2.gz ANUHEWWJHLLCGP-UHFFFAOYSA-N 1 1 320.477 4.260 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](CCCSCC#N)CC1CCC1 ZINC000466720107 339214181 /nfs/dbraw/zinc/21/41/81/339214181.db2.gz ZGKIHPYYJLPPRX-INIZCTEOSA-N 1 1 302.487 4.497 20 30 DIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2CCCSCC#N)c1C ZINC000466731704 339214765 /nfs/dbraw/zinc/21/47/65/339214765.db2.gz RULFIGSVLSIXMY-SFHVURJKSA-N 1 1 302.487 4.477 20 30 DIEDMO CC[N@@H+](CCCSCC#N)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000466734064 339214821 /nfs/dbraw/zinc/21/48/21/339214821.db2.gz BKSGDQRXHVWVEH-SFHVURJKSA-N 1 1 322.493 4.362 20 30 DIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCCSCC#N)cc1 ZINC000466743620 339215528 /nfs/dbraw/zinc/21/55/28/339215528.db2.gz MRZFBJIYVIZTLS-SJLPKXTDSA-N 1 1 302.487 4.415 20 30 DIEDMO N#CCSCCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000467198902 339227933 /nfs/dbraw/zinc/22/79/33/339227933.db2.gz ZKWBUQODZLWVSV-UHFFFAOYSA-N 1 1 306.450 4.217 20 30 DIEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000467271914 339229456 /nfs/dbraw/zinc/22/94/56/339229456.db2.gz VKWMPCWSMAWOIP-QGZVFWFLSA-N 1 1 314.473 4.126 20 30 DIEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000467288644 339230002 /nfs/dbraw/zinc/23/00/02/339230002.db2.gz JJBKNLYTBMTJOB-UHFFFAOYSA-N 1 1 324.424 4.315 20 30 DIEDMO C=CCC[N@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000467293600 339230080 /nfs/dbraw/zinc/23/00/80/339230080.db2.gz MRIJFCPIBDMLQN-FQEVSTJZSA-N 1 1 322.452 4.491 20 30 DIEDMO N#Cc1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)ccc1F ZINC000468278041 339258696 /nfs/dbraw/zinc/25/86/96/339258696.db2.gz PJSDBGQMINFEHO-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000468777473 339270592 /nfs/dbraw/zinc/27/05/92/339270592.db2.gz BHPTUKZSLKUIHU-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000468777473 339270593 /nfs/dbraw/zinc/27/05/93/339270593.db2.gz BHPTUKZSLKUIHU-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cc1 ZINC000468778329 339270633 /nfs/dbraw/zinc/27/06/33/339270633.db2.gz BMOXSXQYYWRPTO-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cc1 ZINC000468778329 339270634 /nfs/dbraw/zinc/27/06/34/339270634.db2.gz BMOXSXQYYWRPTO-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000469157496 339281624 /nfs/dbraw/zinc/28/16/24/339281624.db2.gz AXTRSCCEKNDNCS-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000469157496 339281625 /nfs/dbraw/zinc/28/16/25/339281625.db2.gz AXTRSCCEKNDNCS-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCC#N)CC(C)(C)C ZINC000470175130 339312769 /nfs/dbraw/zinc/31/27/69/339312769.db2.gz PEUVNXLWBYMVKU-PTNGSMBKSA-N 1 1 315.417 4.260 20 30 DIEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC#N)CC(C)(C)C ZINC000470175130 339312770 /nfs/dbraw/zinc/31/27/70/339312770.db2.gz PEUVNXLWBYMVKU-PTNGSMBKSA-N 1 1 315.417 4.260 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)cc2cccnc21 ZINC000470175641 339312830 /nfs/dbraw/zinc/31/28/30/339312830.db2.gz RDTNQJRYFSVJRX-UHFFFAOYSA-N 1 1 319.246 4.395 20 30 DIEDMO C=CCOCCC[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000470780349 339327932 /nfs/dbraw/zinc/32/79/32/339327932.db2.gz GKGAPNVNDDHXOP-QGZVFWFLSA-N 1 1 323.864 4.085 20 30 DIEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000470780349 339327933 /nfs/dbraw/zinc/32/79/33/339327933.db2.gz GKGAPNVNDDHXOP-QGZVFWFLSA-N 1 1 323.864 4.085 20 30 DIEDMO C=C(C)C[N@@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000470910498 339330990 /nfs/dbraw/zinc/33/09/90/339330990.db2.gz ZZPDOPJLPJLOCQ-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO C=C(C)C[N@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC000470910498 339330991 /nfs/dbraw/zinc/33/09/91/339330991.db2.gz ZZPDOPJLPJLOCQ-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)[C@H]1c1ccccc1 ZINC000471032411 339334968 /nfs/dbraw/zinc/33/49/68/339334968.db2.gz KUVONASHBSRQMJ-FOIQADDNSA-N 1 1 301.393 4.004 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1c1ccccc1 ZINC000471032411 339334969 /nfs/dbraw/zinc/33/49/69/339334969.db2.gz KUVONASHBSRQMJ-FOIQADDNSA-N 1 1 301.393 4.004 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000472580552 339374280 /nfs/dbraw/zinc/37/42/80/339374280.db2.gz KYNGNNMMPYOTGP-LEWJYISDSA-N 1 1 307.437 4.113 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761815 339377001 /nfs/dbraw/zinc/37/70/01/339377001.db2.gz HUKLGWLBUYCNIP-SWLSCSKDSA-N 1 1 301.352 4.025 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761813 339377067 /nfs/dbraw/zinc/37/70/67/339377067.db2.gz HUKLGWLBUYCNIP-IUODEOHRSA-N 1 1 301.352 4.025 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc2cccc(F)c2o1 ZINC000474010699 339397008 /nfs/dbraw/zinc/39/70/08/339397008.db2.gz KYDITKYATACDGF-LLVKDONJSA-N 1 1 312.319 4.433 20 30 DIEDMO Cc1cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)ccc1C#N ZINC000488334816 339777559 /nfs/dbraw/zinc/77/75/59/339777559.db2.gz WXKKNWJTOSOTHH-ZDUSSCGKSA-N 1 1 313.470 4.472 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(SC)c(OC)c1)c1ccc(F)cc1 ZINC000491732198 339876876 /nfs/dbraw/zinc/87/68/76/339876876.db2.gz HGTNNWBZRATGLB-INIZCTEOSA-N 1 1 315.413 4.020 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499733131 340043734 /nfs/dbraw/zinc/04/37/34/340043734.db2.gz NUBFRDWEZZMEDW-OBGWFSINSA-N 1 1 312.457 4.122 20 30 DIEDMO C[C@H](C[N@@H+](CCC#N)CC1CC1)c1ccc(C(F)(F)F)cc1 ZINC000500114657 340050525 /nfs/dbraw/zinc/05/05/25/340050525.db2.gz JBHMALRFLVTCCT-CYBMUJFWSA-N 1 1 310.363 4.435 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000501201110 340076038 /nfs/dbraw/zinc/07/60/38/340076038.db2.gz FZVPFURRRQBCQZ-MRXNPFEDSA-N 1 1 312.438 4.274 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000501201109 340076108 /nfs/dbraw/zinc/07/61/08/340076108.db2.gz FZVPFURRRQBCQZ-INIZCTEOSA-N 1 1 312.438 4.274 20 30 DIEDMO C=CCc1cc(C[N@@H+](CC)Cc2ccccc2)cc(OC)c1O ZINC000505847990 340179646 /nfs/dbraw/zinc/17/96/46/340179646.db2.gz KIAZZHVRCUIYRN-UHFFFAOYSA-N 1 1 311.425 4.151 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000505891033 340180948 /nfs/dbraw/zinc/18/09/48/340180948.db2.gz HLSWZFRCKHCJFZ-UHFFFAOYSA-N 1 1 301.409 4.026 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(N(CC)CC)s1 ZINC000506005274 340182933 /nfs/dbraw/zinc/18/29/33/340182933.db2.gz SPXOCKSZHNQQBK-UHFFFAOYSA-N 1 1 321.515 4.239 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(N(CC)CC)s1 ZINC000506005274 340182934 /nfs/dbraw/zinc/18/29/34/340182934.db2.gz SPXOCKSZHNQQBK-UHFFFAOYSA-N 1 1 321.515 4.239 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000506192968 340188146 /nfs/dbraw/zinc/18/81/46/340188146.db2.gz NAACBOJKTIICPG-ZDUSSCGKSA-N 1 1 324.815 4.052 20 30 DIEDMO CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000506370104 340193391 /nfs/dbraw/zinc/19/33/91/340193391.db2.gz POVPHEQZALNGOP-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO C[N@@H+](CCOc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000506905027 340203357 /nfs/dbraw/zinc/20/33/57/340203357.db2.gz YGYYSGHKZMZYRC-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO CCOc1ccc(C[N@@H+](Cc2cccc(C#N)c2)C(C)C)cc1 ZINC000507173308 340211129 /nfs/dbraw/zinc/21/11/29/340211129.db2.gz LMVZZUORYSRUOH-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000507174792 340211146 /nfs/dbraw/zinc/21/11/46/340211146.db2.gz SPDMHRHDHPQQKM-UHFFFAOYSA-N 1 1 307.441 4.035 20 30 DIEDMO COc1ccccc1C[C@H](C)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000507220312 340214207 /nfs/dbraw/zinc/21/42/07/340214207.db2.gz VKSQJBKBOYUMHX-SFHVURJKSA-N 1 1 322.452 4.432 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000507222403 340214357 /nfs/dbraw/zinc/21/43/57/340214357.db2.gz UFMVPZRCOCWVJX-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1Cl ZINC000507314488 340217072 /nfs/dbraw/zinc/21/70/72/340217072.db2.gz ASJLNIMAUZHGLT-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(O)c1Cl ZINC000507314488 340217073 /nfs/dbraw/zinc/21/70/73/340217073.db2.gz ASJLNIMAUZHGLT-UHFFFAOYSA-N 1 1 314.816 4.329 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507442276 340219783 /nfs/dbraw/zinc/21/97/83/340219783.db2.gz OEVRGVLESGWHFI-INIZCTEOSA-N 1 1 320.436 4.368 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCS1 ZINC000507739421 340230003 /nfs/dbraw/zinc/23/00/03/340230003.db2.gz LFICQXRIINMTKE-OAHLLOKOSA-N 1 1 308.450 4.163 20 30 DIEDMO CC[C@@H]1C[C@H](C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801421 340232132 /nfs/dbraw/zinc/23/21/32/340232132.db2.gz DNUVFSQKUNNMRM-KVSKMBFKSA-N 1 1 300.446 4.146 20 30 DIEDMO CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508602893 340247594 /nfs/dbraw/zinc/24/75/94/340247594.db2.gz GXWXCXVTTINCGS-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606485 340247817 /nfs/dbraw/zinc/24/78/17/340247817.db2.gz WXJXWXQHMDMYMQ-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)o1 ZINC000508822021 340253695 /nfs/dbraw/zinc/25/36/95/340253695.db2.gz KMFCAQXRCXPQHW-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)o1 ZINC000508822021 340253696 /nfs/dbraw/zinc/25/36/96/340253696.db2.gz KMFCAQXRCXPQHW-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC000509009063 340258151 /nfs/dbraw/zinc/25/81/51/340258151.db2.gz WSOOKDJNBJYNMQ-XJKSGUPXSA-N 1 1 324.262 4.177 20 30 DIEDMO C[C@H](F)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000509388020 340267923 /nfs/dbraw/zinc/26/79/23/340267923.db2.gz OKAQWLWVKWARQX-HNNXBMFYSA-N 1 1 314.379 4.448 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccc(F)cc1 ZINC000516616933 340274087 /nfs/dbraw/zinc/27/40/87/340274087.db2.gz HCDSQTJFGJYSBR-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1C(F)(F)F ZINC000509836207 340281196 /nfs/dbraw/zinc/28/11/96/340281196.db2.gz FIWQOCKFOKYWEK-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccccc1C(F)(F)F ZINC000509836207 340281197 /nfs/dbraw/zinc/28/11/97/340281197.db2.gz FIWQOCKFOKYWEK-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCC(C)(C)C#N ZINC000510240418 340293695 /nfs/dbraw/zinc/29/36/95/340293695.db2.gz JNEVNRBKPIWHSM-WBVHZDCISA-N 1 1 300.446 4.408 20 30 DIEDMO N#CC1(F)CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000510935192 340315424 /nfs/dbraw/zinc/31/54/24/340315424.db2.gz IRRSQWRYLYSKSY-UHFFFAOYSA-N 1 1 310.372 4.307 20 30 DIEDMO C[N@@H+](CCc1ccc2ccccc2c1)Cc1ccc(C#N)cc1 ZINC000511744958 340336891 /nfs/dbraw/zinc/33/68/91/340336891.db2.gz ZVXKHXPQZWYXDJ-UHFFFAOYSA-N 1 1 300.405 4.386 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC000511875322 340341377 /nfs/dbraw/zinc/34/13/77/340341377.db2.gz RTOAJQLNQXOLEQ-SJORKVTESA-N 1 1 301.430 4.025 20 30 DIEDMO C=C(C)C[N@@H+](CCSC1CCCCC1)Cc1ccc(CO)o1 ZINC000512163567 340350513 /nfs/dbraw/zinc/35/05/13/340350513.db2.gz MEIGEHAMUILRJW-UHFFFAOYSA-N 1 1 323.502 4.216 20 30 DIEDMO C=C(C)C[N@@H+](CCCc1ccccc1C)Cc1ccc(CO)o1 ZINC000512169854 340350756 /nfs/dbraw/zinc/35/07/56/340350756.db2.gz YQIUHXAYXLRJBI-UHFFFAOYSA-N 1 1 313.441 4.091 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)c1F ZINC000512434200 340361709 /nfs/dbraw/zinc/36/17/09/340361709.db2.gz VDPBGIRJQWOAMB-SUMWQHHRSA-N 1 1 312.363 4.214 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000512449902 340362308 /nfs/dbraw/zinc/36/23/08/340362308.db2.gz MJHRCEZJOQMDNJ-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000512449902 340362309 /nfs/dbraw/zinc/36/23/09/340362309.db2.gz MJHRCEZJOQMDNJ-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C=C(C)C[N@H+](CCc1ccccc1F)Cc1cnn(C(C)C)c1 ZINC000512517275 340365095 /nfs/dbraw/zinc/36/50/95/340365095.db2.gz TVSPYKNPRKJGAY-UHFFFAOYSA-N 1 1 315.436 4.224 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)c(C)c1 ZINC000512542085 340366265 /nfs/dbraw/zinc/36/62/65/340366265.db2.gz KKTZSWVOKDYBBL-UHFFFAOYSA-N 1 1 322.456 4.222 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C#N)c(C)c1 ZINC000512542085 340366266 /nfs/dbraw/zinc/36/62/66/340366266.db2.gz KKTZSWVOKDYBBL-UHFFFAOYSA-N 1 1 322.456 4.222 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000512557294 340366889 /nfs/dbraw/zinc/36/68/89/340366889.db2.gz OTIXBORUCGRPNH-UHFFFAOYSA-N 1 1 316.470 4.295 20 30 DIEDMO CC(C)Oc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512621205 340369367 /nfs/dbraw/zinc/36/93/67/340369367.db2.gz VJLNPAIRGVKNAS-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000512652604 340371172 /nfs/dbraw/zinc/37/11/72/340371172.db2.gz AQUSOKGEVUWSHS-NEPJUHHUSA-N 1 1 313.332 4.017 20 30 DIEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000173863584 340376091 /nfs/dbraw/zinc/37/60/91/340376091.db2.gz WQFLSXJAMATFEO-UHFFFAOYSA-N 1 1 303.258 4.072 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000187369680 340519297 /nfs/dbraw/zinc/51/92/97/340519297.db2.gz LLGTWNWYXIQUTB-SFHVURJKSA-N 1 1 316.326 4.383 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cc1F ZINC000192159401 340563425 /nfs/dbraw/zinc/56/34/25/340563425.db2.gz URNDMHIZVDSHOZ-UHFFFAOYSA-N 1 1 316.326 4.145 20 30 DIEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC000123751463 340794310 /nfs/dbraw/zinc/79/43/10/340794310.db2.gz MHKXOVUUDFQOIS-HNNXBMFYSA-N 1 1 317.452 4.044 20 30 DIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000538166500 340812037 /nfs/dbraw/zinc/81/20/37/340812037.db2.gz AFRRHRYKJOINPR-CYBMUJFWSA-N 1 1 317.791 4.190 20 30 DIEDMO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(F)c1F ZINC000539333153 340881445 /nfs/dbraw/zinc/88/14/45/340881445.db2.gz YTRLJAFTUXRSCT-LBPRGKRZSA-N 1 1 305.755 4.321 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1F ZINC000540425072 340930938 /nfs/dbraw/zinc/93/09/38/340930938.db2.gz LAGUIAFBEXCNAU-SFHVURJKSA-N 1 1 318.342 4.462 20 30 DIEDMO N#CCC1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000541018534 340956236 /nfs/dbraw/zinc/95/62/36/340956236.db2.gz BBVUQIPRTJAQEL-UHFFFAOYSA-N 1 1 303.475 4.316 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000542258112 341002385 /nfs/dbraw/zinc/00/23/85/341002385.db2.gz HTVYWRLQYGCFBF-UHFFFAOYSA-N 1 1 302.421 4.350 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542277322 341003042 /nfs/dbraw/zinc/00/30/42/341003042.db2.gz NRBJOQOWXBREEJ-HNAYVOBHSA-N 1 1 308.400 4.270 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542277145 341003162 /nfs/dbraw/zinc/00/31/62/341003162.db2.gz KGFSXXYKAKXDHY-LJQANCHMSA-N 1 1 306.409 4.098 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543204178 341036548 /nfs/dbraw/zinc/03/65/48/341036548.db2.gz ZRKMSNUGFITTKM-OAQYLSRUSA-N 1 1 319.452 4.156 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000543208045 341036826 /nfs/dbraw/zinc/03/68/26/341036826.db2.gz KCSRTBIGSJQBHX-NHCUHLMSSA-N 1 1 315.420 4.024 20 30 DIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000543623992 341051570 /nfs/dbraw/zinc/05/15/70/341051570.db2.gz QOZMQQXCEVINJV-GFCCVEGCSA-N 1 1 302.324 4.006 20 30 DIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543632798 341052248 /nfs/dbraw/zinc/05/22/48/341052248.db2.gz XSVTZPUKCJUUKM-OAHLLOKOSA-N 1 1 323.396 4.358 20 30 DIEDMO C=CC[N@H+](CCc1cccc(F)c1F)Cc1cccc(C#N)c1 ZINC000544057660 341068502 /nfs/dbraw/zinc/06/85/02/341068502.db2.gz NAIPZBWCIDIFJH-UHFFFAOYSA-N 1 1 312.363 4.067 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367272 341078378 /nfs/dbraw/zinc/07/83/78/341078378.db2.gz UTOGDPKSNQAEQA-SCLBCKFNSA-N 1 1 312.438 4.211 20 30 DIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCSCC#N ZINC000074989668 341159152 /nfs/dbraw/zinc/15/91/52/341159152.db2.gz IEUHBXPVTLXJAU-QZTJIDSGSA-N 1 1 302.487 4.291 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000075940395 341191471 /nfs/dbraw/zinc/19/14/71/341191471.db2.gz JAYQGEQXGIEQBD-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000075940395 341191472 /nfs/dbraw/zinc/19/14/72/341191472.db2.gz JAYQGEQXGIEQBD-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC000547285544 341203609 /nfs/dbraw/zinc/20/36/09/341203609.db2.gz QDDXWRXVDLPBDX-HXUWFJFHSA-N 1 1 322.452 4.480 20 30 DIEDMO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000237329099 341211908 /nfs/dbraw/zinc/21/19/08/341211908.db2.gz QTIGRFDQVWZXAV-UHFFFAOYSA-N 1 1 320.367 4.149 20 30 DIEDMO CCCOc1ccc2c(c1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000134513408 341216739 /nfs/dbraw/zinc/21/67/39/341216739.db2.gz VXUNOKRRTPHMMJ-UHFFFAOYSA-N 1 1 300.446 4.163 20 30 DIEDMO C[C@@H]1C[C@H](C)[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000547770082 341231577 /nfs/dbraw/zinc/23/15/77/341231577.db2.gz FKWCNPWONUBVGO-HDICACEKSA-N 1 1 304.437 4.369 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)o1 ZINC000135136815 341232045 /nfs/dbraw/zinc/23/20/45/341232045.db2.gz FDUJENQPQQTDMX-CQSZACIVSA-N 1 1 304.802 4.131 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1ccccc1Cl)c1nccs1 ZINC000135197707 341233110 /nfs/dbraw/zinc/23/31/10/341233110.db2.gz JDXFNYQMBYESCN-INIZCTEOSA-N 1 1 304.846 4.063 20 30 DIEDMO C=CCCc1ccccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548876734 341279306 /nfs/dbraw/zinc/27/93/06/341279306.db2.gz CSKJWEHDGVEJKQ-UHFFFAOYSA-N 1 1 314.473 4.398 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549077879 341285533 /nfs/dbraw/zinc/28/55/33/341285533.db2.gz HGLXLKDFDMVZES-LIRRHRJNSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549077879 341285534 /nfs/dbraw/zinc/28/55/34/341285534.db2.gz HGLXLKDFDMVZES-LIRRHRJNSA-N 1 1 312.363 4.329 20 30 DIEDMO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000549350390 341292008 /nfs/dbraw/zinc/29/20/08/341292008.db2.gz WDNXFINNMJLYNP-HXUWFJFHSA-N 1 1 308.425 4.156 20 30 DIEDMO N#CCCOCC[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000549870423 341305762 /nfs/dbraw/zinc/30/57/62/341305762.db2.gz YXZLPMVZYWXSHW-KRWDZBQOSA-N 1 1 320.864 4.057 20 30 DIEDMO COc1ccc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)cc1C#N ZINC000551007562 341328905 /nfs/dbraw/zinc/32/89/05/341328905.db2.gz IOEPQHLUOHZHTA-HNNXBMFYSA-N 1 1 306.409 4.292 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000551695056 341348957 /nfs/dbraw/zinc/34/89/57/341348957.db2.gz FFZHQFXNWLGAHP-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO 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AIYZCRWQWYFPQL-OAHLLOKOSA-N 1 1 317.404 4.093 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000480568207 1040103820 /nfs/dbraw/zinc/10/38/20/1040103820.db2.gz PGOMEOVTBAURMG-UHFFFAOYSA-N 1 1 316.754 4.376 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000480568207 1040103825 /nfs/dbraw/zinc/10/38/25/1040103825.db2.gz PGOMEOVTBAURMG-UHFFFAOYSA-N 1 1 316.754 4.376 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000480579969 1040112117 /nfs/dbraw/zinc/11/21/17/1040112117.db2.gz QGEKHZAXUKURDQ-JKSUJKDBSA-N 1 1 306.862 4.072 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000480579969 1040112124 /nfs/dbraw/zinc/11/21/24/1040112124.db2.gz QGEKHZAXUKURDQ-JKSUJKDBSA-N 1 1 306.862 4.072 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccco1 ZINC000658105525 1040313766 /nfs/dbraw/zinc/31/37/66/1040313766.db2.gz JOYVQGLPDZLYFA-QGZVFWFLSA-N 1 1 311.429 4.072 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000926612902 1040325883 /nfs/dbraw/zinc/32/58/83/1040325883.db2.gz BGLIVKSPPSQXHF-ATZCPNFKSA-N 1 1 317.742 4.097 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000612077604 1040327588 /nfs/dbraw/zinc/32/75/88/1040327588.db2.gz ARLHHTIQNKHKKI-LJQANCHMSA-N 1 1 308.450 4.043 20 30 DIEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC001167684451 1040395576 /nfs/dbraw/zinc/39/55/76/1040395576.db2.gz GNUGRFLOUHQMOH-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(F)cc1C#N ZINC000179750405 1040525711 /nfs/dbraw/zinc/52/57/11/1040525711.db2.gz ZQDZSJUSHFKOMP-GOSISDBHSA-N 1 1 312.388 4.337 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000179731600 1040526829 /nfs/dbraw/zinc/52/68/29/1040526829.db2.gz VZQKXFHBTOYQNV-SFHVURJKSA-N 1 1 312.388 4.337 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1F ZINC000179731615 1040527147 /nfs/dbraw/zinc/52/71/47/1040527147.db2.gz VZQKXFHBTOYQNV-GOSISDBHSA-N 1 1 312.388 4.337 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000318401964 1040612290 /nfs/dbraw/zinc/61/22/90/1040612290.db2.gz JKFQPRDLUSARNC-RCCFBDPRSA-N 1 1 306.494 4.112 20 30 DIEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1F ZINC001140754489 1040659836 /nfs/dbraw/zinc/65/98/36/1040659836.db2.gz BDBFGSJRPDEUIE-OAHLLOKOSA-N 1 1 304.384 4.239 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000613044459 1040774302 /nfs/dbraw/zinc/77/43/02/1040774302.db2.gz NDKAWCLRFTVSND-SFHVURJKSA-N 1 1 312.388 4.187 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000581452529 1040856875 /nfs/dbraw/zinc/85/68/75/1040856875.db2.gz ZGHFOUABDVYNIZ-LJQANCHMSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000582378383 1040915218 /nfs/dbraw/zinc/91/52/18/1040915218.db2.gz AXEUVVMJRDRMHZ-SFHVURJKSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000582378383 1040915226 /nfs/dbraw/zinc/91/52/26/1040915226.db2.gz AXEUVVMJRDRMHZ-SFHVURJKSA-N 1 1 312.388 4.289 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468070 1041045203 /nfs/dbraw/zinc/04/52/03/1041045203.db2.gz AVHMLMSLKUKTOC-CYBMUJFWSA-N 1 1 312.335 4.019 20 30 DIEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(F)cc1Cl ZINC001170573936 1041117530 /nfs/dbraw/zinc/11/75/30/1041117530.db2.gz WDDXIOFRVBKHBF-LBPRGKRZSA-N 1 1 305.755 4.321 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000809539824 1041184665 /nfs/dbraw/zinc/18/46/65/1041184665.db2.gz BDTHECFFYSBCGE-CQSZACIVSA-N 1 1 306.434 4.471 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000809539824 1041184674 /nfs/dbraw/zinc/18/46/74/1041184674.db2.gz BDTHECFFYSBCGE-CQSZACIVSA-N 1 1 306.434 4.471 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2csc(-c3ccccc3)n2)cc1 ZINC000809609263 1041194933 /nfs/dbraw/zinc/19/49/33/1041194933.db2.gz BZIUYBKKPXHNSE-UHFFFAOYSA-N 1 1 304.418 4.081 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000809624152 1041204510 /nfs/dbraw/zinc/20/45/10/1041204510.db2.gz HUSOVKSOZUDZBG-OAHLLOKOSA-N 1 1 318.203 4.198 20 30 DIEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000809686201 1041224200 /nfs/dbraw/zinc/22/42/00/1041224200.db2.gz AESGOEFSXQQSPR-ZDUSSCGKSA-N 1 1 324.371 4.330 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000809782939 1041254126 /nfs/dbraw/zinc/25/41/26/1041254126.db2.gz LVPAOWAVTPORHN-OAHLLOKOSA-N 1 1 302.418 4.087 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000290649903 1041525748 /nfs/dbraw/zinc/52/57/48/1041525748.db2.gz ZBCHJXRVJCRWCK-SFHVURJKSA-N 1 1 308.429 4.016 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)cc1 ZINC000811496741 1041525934 /nfs/dbraw/zinc/52/59/34/1041525934.db2.gz KGEGGEWVCUNZJX-UHFFFAOYSA-N 1 1 322.408 4.220 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000811472608 1041526931 /nfs/dbraw/zinc/52/69/31/1041526931.db2.gz HQZYBELPQBLAEF-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000811472611 1041527521 /nfs/dbraw/zinc/52/75/21/1041527521.db2.gz HQZYBELPQBLAEF-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(Cl)cc1 ZINC000811516190 1041534713 /nfs/dbraw/zinc/53/47/13/1041534713.db2.gz GORAHUQOLDGHOQ-OAHLLOKOSA-N 1 1 305.208 4.161 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650700 1041583725 /nfs/dbraw/zinc/58/37/25/1041583725.db2.gz PPZNYIPKZOQUME-SPYBWZPUSA-N 1 1 308.400 4.464 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000812793221 1041650964 /nfs/dbraw/zinc/65/09/64/1041650964.db2.gz PHXQYBMLOQTLQQ-INIZCTEOSA-N 1 1 318.189 4.052 20 30 DIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584756932 1041665310 /nfs/dbraw/zinc/66/53/10/1041665310.db2.gz CICHGMBLMRKHPX-GOSISDBHSA-N 1 1 309.413 4.226 20 30 DIEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584756933 1041665448 /nfs/dbraw/zinc/66/54/48/1041665448.db2.gz CICHGMBLMRKHPX-SFHVURJKSA-N 1 1 309.413 4.226 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167754612 1041751402 /nfs/dbraw/zinc/75/14/02/1041751402.db2.gz ZYZXMENDMMCFGD-INIZCTEOSA-N 1 1 323.440 4.495 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000616873137 1041791855 /nfs/dbraw/zinc/79/18/55/1041791855.db2.gz OEYQGTCQLISPHX-APWZRJJASA-N 1 1 314.473 4.125 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000531209491 1041854031 /nfs/dbraw/zinc/85/40/31/1041854031.db2.gz NUVXPKHWASOQJK-ZWFHUQKTSA-N 1 1 302.421 4.472 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000531209491 1041854040 /nfs/dbraw/zinc/85/40/40/1041854040.db2.gz NUVXPKHWASOQJK-ZWFHUQKTSA-N 1 1 302.421 4.472 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660718165 1041856872 /nfs/dbraw/zinc/85/68/72/1041856872.db2.gz PREXYROJFLCYTL-MRXNPFEDSA-N 1 1 302.466 4.083 20 30 DIEDMO CCOc1ccc(N[NH+]=C(C)c2ccc(Cl)c(N)c2)cc1 ZINC000814985018 1041902065 /nfs/dbraw/zinc/90/20/65/1041902065.db2.gz ZGRGBGHXNCVPBM-UHFFFAOYSA-N 1 1 303.793 4.157 20 30 DIEDMO C=CCC(F)(F)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000815035833 1041908163 /nfs/dbraw/zinc/90/81/63/1041908163.db2.gz PBUVUTZHQNREAF-CQSZACIVSA-N 1 1 322.399 4.211 20 30 DIEDMO C=CC[N@H+](Cc1coc(-c2ccc(Cl)cc2)n1)[C@H](C)COC ZINC000661246862 1041911291 /nfs/dbraw/zinc/91/12/91/1041911291.db2.gz KRTUREIMSBTSFN-CYBMUJFWSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(Cl)cc2)n1)[C@H](C)COC ZINC000661246862 1041911299 /nfs/dbraw/zinc/91/12/99/1041911299.db2.gz KRTUREIMSBTSFN-CYBMUJFWSA-N 1 1 320.820 4.018 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092595 1041912527 /nfs/dbraw/zinc/91/25/27/1041912527.db2.gz LWDQQYBAKQZJPM-IVMMDQJWSA-N 1 1 308.347 4.187 20 30 DIEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000594028296 1041917496 /nfs/dbraw/zinc/91/74/96/1041917496.db2.gz LVVVNZIQHSMYAU-UHFFFAOYSA-N 1 1 306.409 4.012 20 30 DIEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC000594028296 1041917502 /nfs/dbraw/zinc/91/75/02/1041917502.db2.gz LVVVNZIQHSMYAU-UHFFFAOYSA-N 1 1 306.409 4.012 20 30 DIEDMO CN(CCC#N)c1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1 ZINC000815161030 1041922490 /nfs/dbraw/zinc/92/24/90/1041922490.db2.gz WDBGDQZNVWANES-UHFFFAOYSA-N 1 1 320.440 4.311 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000815150600 1041927361 /nfs/dbraw/zinc/92/73/61/1041927361.db2.gz BPDYFICPKXUZHI-DOTOQJQBSA-N 1 1 320.864 4.056 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000661378841 1041930091 /nfs/dbraw/zinc/93/00/91/1041930091.db2.gz MZTVNRWYBDEUHK-CYBMUJFWSA-N 1 1 317.820 4.178 20 30 DIEDMO C=CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C(C)(C)C ZINC000661755098 1041990451 /nfs/dbraw/zinc/99/04/51/1041990451.db2.gz JXFHKFSKWCKHNY-UHFFFAOYSA-N 1 1 300.402 4.137 20 30 DIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593780 1042044291 /nfs/dbraw/zinc/04/42/91/1042044291.db2.gz WAEZEEJZZPKIAC-DOTOQJQBSA-N 1 1 318.461 4.060 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079442 1042057412 /nfs/dbraw/zinc/05/74/12/1042057412.db2.gz GFNZXNOWJFXLRT-OIISXLGYSA-N 1 1 309.413 4.289 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2n1C(F)F ZINC000662081904 1042057646 /nfs/dbraw/zinc/05/76/46/1042057646.db2.gz YJIDUGTVZMACIW-BETUJISGSA-N 1 1 303.356 4.114 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2n1C(F)F ZINC000662081904 1042057647 /nfs/dbraw/zinc/05/76/47/1042057647.db2.gz YJIDUGTVZMACIW-BETUJISGSA-N 1 1 303.356 4.114 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(-c2cccs2)no1 ZINC000662078650 1042057755 /nfs/dbraw/zinc/05/77/55/1042057755.db2.gz FIUNUUJIVFPEEQ-RWMBFGLXSA-N 1 1 301.415 4.042 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cccs2)oc1C ZINC000662082479 1042058808 /nfs/dbraw/zinc/05/88/08/1042058808.db2.gz VLZMFONOVPERKD-OKILXGFUSA-N 1 1 300.427 4.395 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000662084255 1042059554 /nfs/dbraw/zinc/05/95/54/1042059554.db2.gz PVGUIEJAXLYXPW-GASCZTMLSA-N 1 1 316.351 4.303 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCc2ccccn2)c1 ZINC000662088563 1042060639 /nfs/dbraw/zinc/06/06/39/1042060639.db2.gz JHZXPNHYAYVDOJ-BGYRXZFFSA-N 1 1 320.436 4.344 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816607951 1042071763 /nfs/dbraw/zinc/07/17/63/1042071763.db2.gz KPKCIWKCNGEEOH-UHFFFAOYSA-N 1 1 321.779 4.039 20 30 DIEDMO COc1ccsc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872208 1042078297 /nfs/dbraw/zinc/07/82/97/1042078297.db2.gz QUKMOIIYCZCFJF-HOTGVXAUSA-N 1 1 312.438 4.028 20 30 DIEDMO COc1ccsc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872208 1042078301 /nfs/dbraw/zinc/07/83/01/1042078301.db2.gz QUKMOIIYCZCFJF-HOTGVXAUSA-N 1 1 312.438 4.028 20 30 DIEDMO C[C@H](CC[N@@H+](C)CCOCc1ccc(C#N)cc1)c1ccccc1 ZINC000567966164 1042086952 /nfs/dbraw/zinc/08/69/52/1042086952.db2.gz RCKRZJRBOSXGIN-GOSISDBHSA-N 1 1 322.452 4.200 20 30 DIEDMO CCCCCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001136166437 1042161501 /nfs/dbraw/zinc/16/15/01/1042161501.db2.gz LERYRYDHRNNFAC-GOSISDBHSA-N 1 1 308.510 4.260 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922295 1042169541 /nfs/dbraw/zinc/16/95/41/1042169541.db2.gz YFUGASRMAOKUEJ-GOSISDBHSA-N 1 1 322.839 4.127 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001167818689 1042178777 /nfs/dbraw/zinc/17/87/77/1042178777.db2.gz IKKLZGDQMPLWKU-GOSISDBHSA-N 1 1 311.429 4.188 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccco1 ZINC000663469349 1042179304 /nfs/dbraw/zinc/17/93/04/1042179304.db2.gz FQPKOHQQOXFZNG-AWEZNQCLSA-N 1 1 310.319 4.491 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170941903 1042202597 /nfs/dbraw/zinc/20/25/97/1042202597.db2.gz GUFRVWOKLGWMTD-KRWDZBQOSA-N 1 1 310.828 4.201 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820809411 1042229533 /nfs/dbraw/zinc/22/95/33/1042229533.db2.gz ACEAFVXFZGTTLB-FQEVSTJZSA-N 1 1 324.468 4.112 20 30 DIEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001170980393 1042276219 /nfs/dbraw/zinc/27/62/19/1042276219.db2.gz HODMQCKUSGBMDS-ROUUACIJSA-N 1 1 313.441 4.112 20 30 DIEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001170980393 1042276230 /nfs/dbraw/zinc/27/62/30/1042276230.db2.gz HODMQCKUSGBMDS-ROUUACIJSA-N 1 1 313.441 4.112 20 30 DIEDMO CCOCOc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525432 1042289259 /nfs/dbraw/zinc/28/92/59/1042289259.db2.gz GRPQZSZUHPSJOJ-INIZCTEOSA-N 1 1 324.424 4.124 20 30 DIEDMO CC1(C)C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139706179 1042290186 /nfs/dbraw/zinc/29/01/86/1042290186.db2.gz NQSOAHUXGRCBQX-UHFFFAOYSA-N 1 1 315.420 4.333 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000573695375 1042412764 /nfs/dbraw/zinc/41/27/64/1042412764.db2.gz LWGKDNHTVGXKSN-WOJBJXKFSA-N 1 1 305.425 4.111 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000614159708 1042418301 /nfs/dbraw/zinc/41/83/01/1042418301.db2.gz QDDJVRSDGDYGRO-UHFFFAOYSA-N 1 1 308.425 4.128 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000614160726 1042418390 /nfs/dbraw/zinc/41/83/90/1042418390.db2.gz BYYAWOBADUQPIW-UHFFFAOYSA-N 1 1 307.441 4.293 20 30 DIEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000614175271 1042422352 /nfs/dbraw/zinc/42/23/52/1042422352.db2.gz CIWMUNMESQBSDT-UHFFFAOYSA-N 1 1 313.470 4.278 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419329030 1042470872 /nfs/dbraw/zinc/47/08/72/1042470872.db2.gz GEOLRZVIZQELLX-IAGOWNOFSA-N 1 1 306.494 4.234 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1 ZINC000614351537 1042475287 /nfs/dbraw/zinc/47/52/87/1042475287.db2.gz GDWQNXSCICEHOG-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(F)c1 ZINC000614352517 1042478561 /nfs/dbraw/zinc/47/85/61/1042478561.db2.gz DCLOCOWBXRGCCM-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000614402549 1042491523 /nfs/dbraw/zinc/49/15/23/1042491523.db2.gz IZPLYPKZZJUDET-NRFANRHFSA-N 1 1 313.404 4.141 20 30 DIEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000614402551 1042491615 /nfs/dbraw/zinc/49/16/15/1042491615.db2.gz IZPLYPKZZJUDET-OAQYLSRUSA-N 1 1 313.404 4.141 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000614402118 1042491683 /nfs/dbraw/zinc/49/16/83/1042491683.db2.gz KWDCLQVPVRDEOZ-SFTDATJTSA-N 1 1 315.420 4.138 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000729267119 1042517309 /nfs/dbraw/zinc/51/73/09/1042517309.db2.gz JTEIPULRUPXPNB-KRWDZBQOSA-N 1 1 312.438 4.160 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(C)s2)cc1OC ZINC000513437390 1042541369 /nfs/dbraw/zinc/54/13/69/1042541369.db2.gz CUMGWQPRCFHXRS-UHFFFAOYSA-N 1 1 317.454 4.262 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000513750661 1042640568 /nfs/dbraw/zinc/64/05/68/1042640568.db2.gz MIQLURAZWFEKGL-UHFFFAOYSA-N 1 1 310.388 4.092 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000513750661 1042640570 /nfs/dbraw/zinc/64/05/70/1042640570.db2.gz MIQLURAZWFEKGL-UHFFFAOYSA-N 1 1 310.388 4.092 20 30 DIEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000514183613 1042771464 /nfs/dbraw/zinc/77/14/64/1042771464.db2.gz NPXMJNRVZZSISP-IBGZPJMESA-N 1 1 308.400 4.213 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366207 1042799175 /nfs/dbraw/zinc/79/91/75/1042799175.db2.gz ORSVMMBIXZFZCY-OAHLLOKOSA-N 1 1 324.424 4.077 20 30 DIEDMO Cc1nc2ccccc2nc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533926 1042837723 /nfs/dbraw/zinc/83/77/23/1042837723.db2.gz FQWMMHKIPWPRBP-OAHLLOKOSA-N 1 1 316.408 4.003 20 30 DIEDMO CCCCCCCCC(=O)N1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001270164284 1042847368 /nfs/dbraw/zinc/84/73/68/1042847368.db2.gz TYYMLTKTSXAFPC-LJQANCHMSA-N 1 1 308.510 4.071 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001270238355 1042864788 /nfs/dbraw/zinc/86/47/88/1042864788.db2.gz RYEHCQMNFCTJKZ-UHFFFAOYSA-N 1 1 308.510 4.071 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000519243838 1042940245 /nfs/dbraw/zinc/94/02/45/1042940245.db2.gz KVOORYVJXNFMSS-WBVHZDCISA-N 1 1 303.446 4.142 20 30 DIEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000894527634 1042966138 /nfs/dbraw/zinc/96/61/38/1042966138.db2.gz ZYIJPZDBUHKZCF-TXEJJXNPSA-N 1 1 302.365 4.173 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cc1 ZINC000120882371 1042991071 /nfs/dbraw/zinc/99/10/71/1042991071.db2.gz BLHBRESCHKJSCS-GOSISDBHSA-N 1 1 312.438 4.356 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441072864 1043019479 /nfs/dbraw/zinc/01/94/79/1043019479.db2.gz XCIBMAPUQPFJRS-NSHDSACASA-N 1 1 304.381 4.308 20 30 DIEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441142468 1043023009 /nfs/dbraw/zinc/02/30/09/1043023009.db2.gz FXESBFQLULEKRF-CYBMUJFWSA-N 1 1 318.873 4.458 20 30 DIEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441142468 1043023015 /nfs/dbraw/zinc/02/30/15/1043023015.db2.gz FXESBFQLULEKRF-CYBMUJFWSA-N 1 1 318.873 4.458 20 30 DIEDMO C=C(C)C[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000520266321 1043030506 /nfs/dbraw/zinc/03/05/06/1043030506.db2.gz LFRYVUADVXCEKM-UHFFFAOYSA-N 1 1 315.436 4.437 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341514 1043039451 /nfs/dbraw/zinc/03/94/51/1043039451.db2.gz ODDJYJIECZHJCK-MGPUTAFESA-N 1 1 324.399 4.159 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000441367897 1043041222 /nfs/dbraw/zinc/04/12/22/1043041222.db2.gz YKNYMVICDKMGHP-IBGZPJMESA-N 1 1 310.416 4.459 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC000112673555 1043055585 /nfs/dbraw/zinc/05/55/85/1043055585.db2.gz JMPHQSILQRKACL-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC000112673555 1043055594 /nfs/dbraw/zinc/05/55/94/1043055594.db2.gz JMPHQSILQRKACL-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC000049091592 1043056190 /nfs/dbraw/zinc/05/61/90/1043056190.db2.gz PVGUGKIYBAEWEL-UHFFFAOYSA-N 1 1 304.315 4.209 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1F ZINC000794819807 1043065815 /nfs/dbraw/zinc/06/58/15/1043065815.db2.gz XVTYWQCQLAIGEE-SFHVURJKSA-N 1 1 318.342 4.462 20 30 DIEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1OCC ZINC000178533199 1043131851 /nfs/dbraw/zinc/13/18/51/1043131851.db2.gz DLYIQPJINHCJQA-OAHLLOKOSA-N 1 1 324.424 4.206 20 30 DIEDMO CC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463305 1043147321 /nfs/dbraw/zinc/14/73/21/1043147321.db2.gz JYVPVHSFGUHWKN-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccc(F)cc1F ZINC000179627727 1043148716 /nfs/dbraw/zinc/14/87/16/1043148716.db2.gz CSRCCELCVVXIEL-KRWDZBQOSA-N 1 1 316.351 4.086 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cc(F)ccc1F ZINC000179788323 1043152592 /nfs/dbraw/zinc/15/25/92/1043152592.db2.gz QKHNUKNQGIHYHD-KRWDZBQOSA-N 1 1 316.351 4.086 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533775 1043157430 /nfs/dbraw/zinc/15/74/30/1043157430.db2.gz QSUVNVCDWMEIPM-SFTDATJTSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533775 1043157433 /nfs/dbraw/zinc/15/74/33/1043157433.db2.gz QSUVNVCDWMEIPM-SFTDATJTSA-N 1 1 319.452 4.308 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866236122 1043163942 /nfs/dbraw/zinc/16/39/42/1043163942.db2.gz UIOVISZVVQWXQP-LSDHHAIUSA-N 1 1 324.424 4.463 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cccc(C#N)c1O ZINC000866362438 1043187564 /nfs/dbraw/zinc/18/75/64/1043187564.db2.gz BAYIFACVSDEQKF-GFCCVEGCSA-N 1 1 310.372 4.131 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000866597241 1043231462 /nfs/dbraw/zinc/23/14/62/1043231462.db2.gz ZWWDTBQBENRTJS-ACJLOTCBSA-N 1 1 316.351 4.089 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000187706979 1043248730 /nfs/dbraw/zinc/24/87/30/1043248730.db2.gz NJNFEJIEJVFKJX-QWQRMKEZSA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000187706979 1043248744 /nfs/dbraw/zinc/24/87/44/1043248744.db2.gz NJNFEJIEJVFKJX-QWQRMKEZSA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000122177181 1043284452 /nfs/dbraw/zinc/28/44/52/1043284452.db2.gz IHAMHONTJXTJRP-GJZGRUSLSA-N 1 1 312.388 4.310 20 30 DIEDMO CCSc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)ccn1 ZINC000427896674 1043313262 /nfs/dbraw/zinc/31/32/62/1043313262.db2.gz VUTCIALBUWAOHY-LBPRGKRZSA-N 1 1 315.417 4.055 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268399512 1043319553 /nfs/dbraw/zinc/31/95/53/1043319553.db2.gz ULDWDFPUNZVQOC-SJORKVTESA-N 1 1 318.461 4.278 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)ccc1C#N ZINC000442813556 1043428789 /nfs/dbraw/zinc/42/87/89/1043428789.db2.gz TWYFPIPJCNHJKN-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C2CCC2)c1 ZINC000925601576 1043435595 /nfs/dbraw/zinc/43/55/95/1043435595.db2.gz LWSLEPRTOKOHCZ-KXBFYZLASA-N 1 1 308.429 4.304 20 30 DIEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000925666583 1043449908 /nfs/dbraw/zinc/44/99/08/1043449908.db2.gz MSIIFCAQZMGIQX-KDOFPFPSSA-N 1 1 311.404 4.228 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892142 1043450219 /nfs/dbraw/zinc/45/02/19/1043450219.db2.gz DTILXDGMYAONJB-INIZCTEOSA-N 1 1 313.404 4.280 20 30 DIEDMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)ccc1C#N ZINC000442889659 1043450509 /nfs/dbraw/zinc/45/05/09/1043450509.db2.gz LBQHXSGWXDORIR-QGZVFWFLSA-N 1 1 310.397 4.277 20 30 DIEDMO C=CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000521714818 1043459477 /nfs/dbraw/zinc/45/94/77/1043459477.db2.gz BXBXLGCTEBXKHW-PXNSSMCTSA-N 1 1 312.457 4.142 20 30 DIEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000872113738 1043462938 /nfs/dbraw/zinc/46/29/38/1043462938.db2.gz SADVSZKHCIZBHM-CQSZACIVSA-N 1 1 317.845 4.225 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000521821690 1043487342 /nfs/dbraw/zinc/48/73/42/1043487342.db2.gz QJWRQDZPKNKWPT-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H](OC4CCC4)CC3)cc2)CC1 ZINC000872259718 1043487746 /nfs/dbraw/zinc/48/77/46/1043487746.db2.gz HIUIKSRBVFJXKO-HXUWFJFHSA-N 1 1 324.468 4.165 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279712 1043489714 /nfs/dbraw/zinc/48/97/14/1043489714.db2.gz HFSVVOWDRFLYIP-SFHVURJKSA-N 1 1 318.848 4.135 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279712 1043489727 /nfs/dbraw/zinc/48/97/27/1043489727.db2.gz HFSVVOWDRFLYIP-SFHVURJKSA-N 1 1 318.848 4.135 20 30 DIEDMO C=C(C)C[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859888 1043494299 /nfs/dbraw/zinc/49/42/99/1043494299.db2.gz XOCJVLMYPVZPOS-CYBMUJFWSA-N 1 1 301.352 4.291 20 30 DIEDMO CCCC[C@H](CC)CC=[NH+]n1c(SC)nnc1SC ZINC000872417685 1043497765 /nfs/dbraw/zinc/49/77/65/1043497765.db2.gz KHHFKLPNKCEAHI-NSHDSACASA-N 1 1 300.497 4.162 20 30 DIEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc(C)c1O ZINC000558403700 1043500599 /nfs/dbraw/zinc/50/05/99/1043500599.db2.gz FROBMLRFWBSNDM-UHFFFAOYSA-N 1 1 318.420 4.170 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275068310 1043570592 /nfs/dbraw/zinc/57/05/92/1043570592.db2.gz GGRDFUVYCHVCSO-QUCCMNQESA-N 1 1 318.505 4.012 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001275114108 1043576778 /nfs/dbraw/zinc/57/67/78/1043576778.db2.gz JRIUESDYBXIECC-PKOBYXMFSA-N 1 1 308.510 4.070 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC[C@@H](C)CCC=C(C)C)C1=O ZINC001275123538 1043576930 /nfs/dbraw/zinc/57/69/30/1043576930.db2.gz HIUABNHVDQEXBX-ICSRJNTNSA-N 1 1 318.505 4.012 20 30 DIEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001143592135 1043578538 /nfs/dbraw/zinc/57/85/38/1043578538.db2.gz PSBBLMSEIXRGOE-FQEVSTJZSA-N 1 1 324.399 4.049 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@H](C)CCC=C(C)C)C1=O ZINC001275123540 1043578618 /nfs/dbraw/zinc/57/86/18/1043578618.db2.gz HIUABNHVDQEXBX-UYAOXDASSA-N 1 1 318.505 4.012 20 30 DIEDMO COc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1C#N ZINC000124968756 1043578990 /nfs/dbraw/zinc/57/89/90/1043578990.db2.gz JHOIZGIMIZXBLE-FQEVSTJZSA-N 1 1 318.376 4.039 20 30 DIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000353260746 1043595733 /nfs/dbraw/zinc/59/57/33/1043595733.db2.gz GBWYLNISTDNCKW-MRXNPFEDSA-N 1 1 321.405 4.052 20 30 DIEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ncccc1Cl ZINC000926551029 1043598289 /nfs/dbraw/zinc/59/82/89/1043598289.db2.gz QHJFZGHDLJVTJL-INIZCTEOSA-N 1 1 317.795 4.377 20 30 DIEDMO COc1ccc([C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549988 1043599531 /nfs/dbraw/zinc/59/95/31/1043599531.db2.gz IEEFFYQZHNWZCL-RDTXWAMCSA-N 1 1 312.413 4.296 20 30 DIEDMO Cc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000353345467 1043599922 /nfs/dbraw/zinc/59/99/22/1043599922.db2.gz MSVXSLJQZDLSEQ-SCLBCKFNSA-N 1 1 310.372 4.180 20 30 DIEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000926569647 1043600891 /nfs/dbraw/zinc/60/08/91/1043600891.db2.gz RSAYCLBRRGYJSU-VIFPVBQESA-N 1 1 319.758 4.344 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000353417320 1043606187 /nfs/dbraw/zinc/60/61/87/1043606187.db2.gz SPGLDOLMDZBLBU-UHFFFAOYSA-N 1 1 310.445 4.024 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cc3ccccc3o2)c2ccccn2)C1 ZINC000926617082 1043607819 /nfs/dbraw/zinc/60/78/19/1043607819.db2.gz WLGCKQVGQHJFBS-PTSWNOGYSA-N 1 1 317.392 4.199 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1ccc(Br)c(F)c1F ZINC001141750045 1043608530 /nfs/dbraw/zinc/60/85/30/1043608530.db2.gz VCBMNQCEWHCAQO-UHFFFAOYSA-N 1 1 304.178 4.125 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)c(F)c1F ZINC001141750045 1043608540 /nfs/dbraw/zinc/60/85/40/1043608540.db2.gz VCBMNQCEWHCAQO-UHFFFAOYSA-N 1 1 304.178 4.125 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2nccnc2c1)C1CCCCCCC1 ZINC001137087576 1043623213 /nfs/dbraw/zinc/62/32/13/1043623213.db2.gz BHYRTDDCWQGMJR-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353667791 1043632108 /nfs/dbraw/zinc/63/21/08/1043632108.db2.gz VVRFTIOQFVTFBM-KRWDZBQOSA-N 1 1 320.436 4.316 20 30 DIEDMO C=CCC[C@@H]([NH2+][C@@H]1CCOc2ccc(OC)cc21)c1ccco1 ZINC000353670363 1043632406 /nfs/dbraw/zinc/63/24/06/1043632406.db2.gz GZUUWUPGTQKZIP-IAGOWNOFSA-N 1 1 313.397 4.409 20 30 DIEDMO C=CCCC[C@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000926855130 1043641976 /nfs/dbraw/zinc/64/19/76/1043641976.db2.gz KDGIKVPIKYIJSA-YJBOKZPZSA-N 1 1 312.461 4.355 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895337338 1043642322 /nfs/dbraw/zinc/64/23/22/1043642322.db2.gz ILXBHJRQTMKOIT-LLVKDONJSA-N 1 1 304.381 4.036 20 30 DIEDMO C[C@H]1CC([NH2+]CC#CC(C)(C)C)C[C@H](C)N1Cc1ccccc1 ZINC001168030748 1043703419 /nfs/dbraw/zinc/70/34/19/1043703419.db2.gz XBVWKUQZWNQIIS-ROUUACIJSA-N 1 1 312.501 4.067 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275336937 1043708239 /nfs/dbraw/zinc/70/82/39/1043708239.db2.gz MKMPLFCFUBQZJH-FQEVSTJZSA-N 1 1 318.505 4.014 20 30 DIEDMO CC[N@H+](CCC#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000354792783 1043720839 /nfs/dbraw/zinc/72/08/39/1043720839.db2.gz QGJJUFLYKQHKTF-OAHLLOKOSA-N 1 1 307.235 4.062 20 30 DIEDMO CC[N@@H+](CCC#N)[C@@H]1CCCc2ccc(Br)cc21 ZINC000354792783 1043720848 /nfs/dbraw/zinc/72/08/48/1043720848.db2.gz QGJJUFLYKQHKTF-OAHLLOKOSA-N 1 1 307.235 4.062 20 30 DIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3c2cccc3Cl)c1 ZINC000876973545 1043729284 /nfs/dbraw/zinc/72/92/84/1043729284.db2.gz JNXVDPBRJOVEHJ-OAHLLOKOSA-N 1 1 318.207 4.037 20 30 DIEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000877024959 1043734404 /nfs/dbraw/zinc/73/44/04/1043734404.db2.gz UMJIDVKYWMJIOV-UHFFFAOYSA-N 1 1 318.207 4.039 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2c(Cl)cccc2CC)CC1 ZINC000474355769 1043747795 /nfs/dbraw/zinc/74/77/95/1043747795.db2.gz SSPOSVPXRKCPBX-UHFFFAOYSA-N 1 1 306.881 4.033 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001137119369 1043757733 /nfs/dbraw/zinc/75/77/33/1043757733.db2.gz JQHWJADEYDWUIC-LJQANCHMSA-N 1 1 310.372 4.065 20 30 DIEDMO CC(C)Cc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877648759 1043784529 /nfs/dbraw/zinc/78/45/29/1043784529.db2.gz UOJGBAKMWJFNSJ-UHFFFAOYSA-N 1 1 313.832 4.095 20 30 DIEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000895939185 1043787087 /nfs/dbraw/zinc/78/70/87/1043787087.db2.gz PUQYSZKDZBJZRJ-LLVKDONJSA-N 1 1 319.355 4.038 20 30 DIEDMO C[N@H+](Cc1ccccc1N1CCCC1)CC1CCC(C#N)CC1 ZINC000929091964 1043790999 /nfs/dbraw/zinc/79/09/99/1043790999.db2.gz XFAKIAYBBOUTHI-UHFFFAOYSA-N 1 1 311.473 4.049 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929164914 1043795449 /nfs/dbraw/zinc/79/54/49/1043795449.db2.gz PFQBOQHPTSSUQH-QZTJIDSGSA-N 1 1 312.363 4.039 20 30 DIEDMO N#Cc1csc(C[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000356094316 1043807033 /nfs/dbraw/zinc/80/70/33/1043807033.db2.gz WMFLHIQCJLNIEG-KRWDZBQOSA-N 1 1 309.438 4.057 20 30 DIEDMO N#Cc1csc(C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000356094316 1043807056 /nfs/dbraw/zinc/80/70/56/1043807056.db2.gz WMFLHIQCJLNIEG-KRWDZBQOSA-N 1 1 309.438 4.057 20 30 DIEDMO COCCCC[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929344702 1043811765 /nfs/dbraw/zinc/81/17/65/1043811765.db2.gz ZYLAGILMBCJCSV-UHFFFAOYSA-N 1 1 314.473 4.245 20 30 DIEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCC(C#N)CC1 ZINC000929338474 1043811832 /nfs/dbraw/zinc/81/18/32/1043811832.db2.gz VPFUUKMZQWJITO-UHFFFAOYSA-N 1 1 315.417 4.135 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)c1ccccc1)c1ccccc1 ZINC000877917872 1043823114 /nfs/dbraw/zinc/82/31/14/1043823114.db2.gz IBUXJSRDESMLLF-UTKZUKDTSA-N 1 1 320.436 4.120 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000929668389 1043831998 /nfs/dbraw/zinc/83/19/98/1043831998.db2.gz HTWCFZZRRVZYQP-LEOMRAHMSA-N 1 1 300.471 4.106 20 30 DIEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000877963645 1043832268 /nfs/dbraw/zinc/83/22/68/1043832268.db2.gz IEMIUQQAQACQTG-FQEVSTJZSA-N 1 1 312.457 4.082 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1C1CCCC1)c1ccccc1 ZINC000877986002 1043835007 /nfs/dbraw/zinc/83/50/07/1043835007.db2.gz IGXLVOXKVBATOX-SFTDATJTSA-N 1 1 324.468 4.082 20 30 DIEDMO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](c2ccsc2)O1 ZINC000929831202 1043844027 /nfs/dbraw/zinc/84/40/27/1043844027.db2.gz DFJHPLBLJBEWPZ-DOTOQJQBSA-N 1 1 318.486 4.374 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](c2ccsc2)O1 ZINC000929831202 1043844045 /nfs/dbraw/zinc/84/40/45/1043844045.db2.gz DFJHPLBLJBEWPZ-DOTOQJQBSA-N 1 1 318.486 4.374 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878134371 1043852441 /nfs/dbraw/zinc/85/24/41/1043852441.db2.gz PCBYTBUOWDGSMB-GKBFQHABSA-N 1 1 324.468 4.080 20 30 DIEDMO N#CCC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000878175160 1043855055 /nfs/dbraw/zinc/85/50/55/1043855055.db2.gz XVLDFJXKPCIZFO-HZPDHXFCSA-N 1 1 318.486 4.110 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+](C(C)C)C1CCCC1)c1ccccc1 ZINC000878234549 1043859393 /nfs/dbraw/zinc/85/93/93/1043859393.db2.gz YMOZQEXUDORSBL-HXUWFJFHSA-N 1 1 312.457 4.080 20 30 DIEDMO Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)cc(C#N)c2)sc1C ZINC000930008952 1043866515 /nfs/dbraw/zinc/86/65/15/1043866515.db2.gz IQAQZASIXIULGI-UHFFFAOYSA-N 1 1 319.861 4.310 20 30 DIEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930015213 1043869156 /nfs/dbraw/zinc/86/91/56/1043869156.db2.gz GYLZKAXYAGVZCP-RJYAGPCLSA-N 1 1 322.456 4.040 20 30 DIEDMO C=CCC(C)(C)c1noc(C[C@H](c2[nH]cc[nH+]2)c2ccccc2)n1 ZINC000896327424 1043891791 /nfs/dbraw/zinc/89/17/91/1043891791.db2.gz BGDFRQNIOIJLRM-HNNXBMFYSA-N 1 1 322.412 4.021 20 30 DIEDMO C#CCCCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000878615493 1043905819 /nfs/dbraw/zinc/90/58/19/1043905819.db2.gz DTYCZMZNMCAYSN-MRXNPFEDSA-N 1 1 301.434 4.058 20 30 DIEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000878660890 1043910748 /nfs/dbraw/zinc/91/07/48/1043910748.db2.gz ONYZPKUICYOFPZ-JLTOFOAXSA-N 1 1 319.408 4.342 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000896516612 1043928628 /nfs/dbraw/zinc/92/86/28/1043928628.db2.gz QMXXWALKMYVAOI-CQSZACIVSA-N 1 1 317.502 4.141 20 30 DIEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554053 1043962788 /nfs/dbraw/zinc/96/27/88/1043962788.db2.gz QZLUVWQSGNFIHN-CVEARBPZSA-N 1 1 323.440 4.001 20 30 DIEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000357554079 1043962919 /nfs/dbraw/zinc/96/29/19/1043962919.db2.gz QZLUVWQSGNFIHN-JKSUJKDBSA-N 1 1 323.440 4.001 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000896666019 1043977725 /nfs/dbraw/zinc/97/77/25/1043977725.db2.gz VMOGOJUVVBKPAW-KRWDZBQOSA-N 1 1 323.440 4.031 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3ccnc(Cl)c3Cl)CC2)c1 ZINC000290969241 1044001415 /nfs/dbraw/zinc/00/14/15/1044001415.db2.gz XGDDZLVYIABQJQ-UHFFFAOYSA-N 1 1 318.207 4.039 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C[C@@H](C)C(C)(C)C)c1ccccc1 ZINC000880075763 1044009221 /nfs/dbraw/zinc/00/92/21/1044009221.db2.gz GWCJENJJNUVJKI-UZLBHIALSA-N 1 1 314.473 4.041 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842195 1044011329 /nfs/dbraw/zinc/01/13/29/1044011329.db2.gz VFUCUVJYEYTMRM-NSHDSACASA-N 1 1 319.246 4.084 20 30 DIEDMO CCC1(CC)CCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000880094157 1044011717 /nfs/dbraw/zinc/01/17/17/1044011717.db2.gz VITRXXOSRCJZCV-HXUWFJFHSA-N 1 1 312.457 4.082 20 30 DIEDMO CSc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000358060482 1044013751 /nfs/dbraw/zinc/01/37/51/1044013751.db2.gz GJNVGSHDBCCQKB-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO CSc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000358060482 1044013758 /nfs/dbraw/zinc/01/37/58/1044013758.db2.gz GJNVGSHDBCCQKB-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CCC1 ZINC000931467263 1044031061 /nfs/dbraw/zinc/03/10/61/1044031061.db2.gz ICKLMGIZNMSLRU-RBUKOAKNSA-N 1 1 312.457 4.049 20 30 DIEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000475024137 1044036126 /nfs/dbraw/zinc/03/61/26/1044036126.db2.gz QBUSGHHTRAPQPN-MOPGFXCFSA-N 1 1 314.473 4.353 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccccc1 ZINC000880389973 1044036609 /nfs/dbraw/zinc/03/66/09/1044036609.db2.gz MABLIQVURJJDKN-GOSISDBHSA-N 1 1 324.472 4.192 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccccc1 ZINC000880390985 1044036907 /nfs/dbraw/zinc/03/69/07/1044036907.db2.gz ZUJAPAIIEXTUDT-QGZVFWFLSA-N 1 1 312.461 4.220 20 30 DIEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000931748918 1044067640 /nfs/dbraw/zinc/06/76/40/1044067640.db2.gz DYQSQKWKAQLVOQ-JCYILVPMSA-N 1 1 317.502 4.036 20 30 DIEDMO CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000428317369 1044070874 /nfs/dbraw/zinc/07/08/74/1044070874.db2.gz WYLYTOLFVRHADF-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000428317370 1044070909 /nfs/dbraw/zinc/07/09/09/1044070909.db2.gz WYLYTOLFVRHADF-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(C(F)(F)F)c1 ZINC000562201744 1044081857 /nfs/dbraw/zinc/08/18/57/1044081857.db2.gz RTVQXLBZAGXBQB-UHFFFAOYSA-N 1 1 318.289 4.054 20 30 DIEDMO C=CCC[C@H](CC)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000798935489 1044091138 /nfs/dbraw/zinc/09/11/38/1044091138.db2.gz PNBUBLMGCYWVJW-VQTJNVASSA-N 1 1 300.490 4.233 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000798935488 1044092945 /nfs/dbraw/zinc/09/29/45/1044092945.db2.gz PNBUBLMGCYWVJW-UXHICEINSA-N 1 1 300.490 4.233 20 30 DIEDMO C=C(Cl)C[NH+]1CCC(c2nc(-c3ccncc3)cs2)CC1 ZINC000932552845 1044141364 /nfs/dbraw/zinc/14/13/64/1044141364.db2.gz UILACFMQGFEKQI-UHFFFAOYSA-N 1 1 319.861 4.137 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)c2ncccc2c1 ZINC001308755184 1044152979 /nfs/dbraw/zinc/15/29/79/1044152979.db2.gz PDSASBBGONBARM-UHFFFAOYSA-N 1 1 300.405 4.179 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC(C)(C)O1 ZINC000562864490 1044171074 /nfs/dbraw/zinc/17/10/74/1044171074.db2.gz GTGXPRSVVYAYHM-INIZCTEOSA-N 1 1 320.436 4.225 20 30 DIEDMO CC[N@@H+](Cc1cn(C(C)C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000281685057 1044180916 /nfs/dbraw/zinc/18/09/16/1044180916.db2.gz RTQDSMFCFWJELK-MRXNPFEDSA-N 1 1 310.445 4.227 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883130841 1044222793 /nfs/dbraw/zinc/22/27/93/1044222793.db2.gz VDAGZSCJDNYPPF-QGZVFWFLSA-N 1 1 316.351 4.195 20 30 DIEDMO C[N@@H+](CCCCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000360185969 1044244268 /nfs/dbraw/zinc/24/42/68/1044244268.db2.gz BQAZHFJIIMRAPC-UHFFFAOYSA-N 1 1 315.392 4.039 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415234 1044248226 /nfs/dbraw/zinc/24/82/26/1044248226.db2.gz NULBAVAXNPLGTQ-UHFFFAOYSA-N 1 1 310.445 4.229 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000934466775 1044251674 /nfs/dbraw/zinc/25/16/74/1044251674.db2.gz MYXGRFZOLVDNDG-SFHVURJKSA-N 1 1 320.436 4.333 20 30 DIEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1F)c1ccc(OCC#N)cc1 ZINC000883376602 1044288999 /nfs/dbraw/zinc/28/89/99/1044288999.db2.gz OQDBHYZCFJPBIM-VHKYSDTDSA-N 1 1 324.399 4.265 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000883382218 1044294605 /nfs/dbraw/zinc/29/46/05/1044294605.db2.gz BQAUVOZHBRXJAL-VOBQZIQPSA-N 1 1 324.399 4.093 20 30 DIEDMO COC[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000360659663 1044295808 /nfs/dbraw/zinc/29/58/08/1044295808.db2.gz ZUKUGXPNQXCJTG-MOPGFXCFSA-N 1 1 324.424 4.205 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000186267805 1044325959 /nfs/dbraw/zinc/32/59/59/1044325959.db2.gz WUWDKWIJPLIPKL-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000186267805 1044325973 /nfs/dbraw/zinc/32/59/73/1044325973.db2.gz WUWDKWIJPLIPKL-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO Cc1cccc2ncc(C[N@H+](CCC#N)C3CCCCCCC3)n21 ZINC001137196585 1044333158 /nfs/dbraw/zinc/33/31/58/1044333158.db2.gz PEASSMDZAIQETB-UHFFFAOYSA-N 1 1 324.472 4.471 20 30 DIEDMO Cc1cccc2ncc(C[N@@H+](CCC#N)C3CCCCCCC3)n21 ZINC001137196585 1044333168 /nfs/dbraw/zinc/33/31/68/1044333168.db2.gz PEASSMDZAIQETB-UHFFFAOYSA-N 1 1 324.472 4.471 20 30 DIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293132 1044340863 /nfs/dbraw/zinc/34/08/63/1044340863.db2.gz XWMQSWSKSAIQRW-KRWDZBQOSA-N 1 1 311.454 4.141 20 30 DIEDMO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475288077 1044346491 /nfs/dbraw/zinc/34/64/91/1044346491.db2.gz QUARZUWJDDXTDG-WOJBJXKFSA-N 1 1 300.490 4.233 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)Cc1ccsc1 ZINC000778371990 1044354679 /nfs/dbraw/zinc/35/46/79/1044354679.db2.gz PDKXDSNUPSQCLI-HNNXBMFYSA-N 1 1 314.454 4.104 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CCOc2c(F)ccc(F)c21)c1cccc(C#N)c1 ZINC000361179120 1044369324 /nfs/dbraw/zinc/36/93/24/1044369324.db2.gz OZYVFDRWNQDFQX-BZNIZROVSA-N 1 1 314.335 4.011 20 30 DIEDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(C#N)cc3F)cc2)c1C ZINC000361227077 1044378707 /nfs/dbraw/zinc/37/87/07/1044378707.db2.gz DWPKMSYMNQQCQK-UHFFFAOYSA-N 1 1 320.371 4.112 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)nc1 ZINC000564515713 1044387621 /nfs/dbraw/zinc/38/76/21/1044387621.db2.gz MRRRZPCSYQSMDF-FQEVSTJZSA-N 1 1 316.408 4.162 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)nc1 ZINC000564515713 1044387630 /nfs/dbraw/zinc/38/76/30/1044387630.db2.gz MRRRZPCSYQSMDF-FQEVSTJZSA-N 1 1 316.408 4.162 20 30 DIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361510774 1044413490 /nfs/dbraw/zinc/41/34/90/1044413490.db2.gz LEUUOGXZADIJSI-LBPRGKRZSA-N 1 1 321.346 4.109 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NCc3cccc(C#N)c3)cc2)C1 ZINC000237479859 1044435345 /nfs/dbraw/zinc/43/53/45/1044435345.db2.gz UMDHGSAVANCPGX-QGZVFWFLSA-N 1 1 319.452 4.402 20 30 DIEDMO N#Cc1csc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c1 ZINC000565579278 1044444149 /nfs/dbraw/zinc/44/41/49/1044444149.db2.gz LFTMMZKWVLALRA-UHFFFAOYSA-N 1 1 312.369 4.309 20 30 DIEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000565665662 1044448783 /nfs/dbraw/zinc/44/87/83/1044448783.db2.gz MPGXDDZXHWZIMA-QAPCUYQASA-N 1 1 321.424 4.282 20 30 DIEDMO C[C@H](CC#N)[N@@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000565747566 1044455252 /nfs/dbraw/zinc/45/52/52/1044455252.db2.gz MZQWRWIQPUEYCY-GOSISDBHSA-N 1 1 306.453 4.322 20 30 DIEDMO CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000294782135 1044459494 /nfs/dbraw/zinc/45/94/94/1044459494.db2.gz AOXLHIARYWFZHM-OAHLLOKOSA-N 1 1 306.409 4.344 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000609915680 1044479534 /nfs/dbraw/zinc/47/95/34/1044479534.db2.gz KDWRNBPAQDRIFE-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](c2ccco2)C1 ZINC000362450237 1044511551 /nfs/dbraw/zinc/51/15/51/1044511551.db2.gz JCNFTGGZABJVOM-HNAYVOBHSA-N 1 1 319.408 4.377 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](c2ccco2)C1 ZINC000362450237 1044511563 /nfs/dbraw/zinc/51/15/63/1044511563.db2.gz JCNFTGGZABJVOM-HNAYVOBHSA-N 1 1 319.408 4.377 20 30 DIEDMO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000778552029 1044513968 /nfs/dbraw/zinc/51/39/68/1044513968.db2.gz QVQFRHPUJHWRFZ-GFCCVEGCSA-N 1 1 316.836 4.079 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cncnc1C)c1ccc(F)c(F)c1 ZINC000566749630 1044514074 /nfs/dbraw/zinc/51/40/74/1044514074.db2.gz XOUJANIBOWECQG-PXAZEXFGSA-N 1 1 303.356 4.031 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000362903005 1044561290 /nfs/dbraw/zinc/56/12/90/1044561290.db2.gz YMCYCVBAQLWVRN-HNNXBMFYSA-N 1 1 307.235 4.280 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(C)cc2)c1O ZINC000216156945 1044549518 /nfs/dbraw/zinc/54/95/18/1044549518.db2.gz JWRQKVZBVDGPMU-UHFFFAOYSA-N 1 1 311.425 4.070 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000444601765 1044573231 /nfs/dbraw/zinc/57/32/31/1044573231.db2.gz XCWFUQSKSPXANS-UHFFFAOYSA-N 1 1 303.381 4.054 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000444652877 1044585776 /nfs/dbraw/zinc/58/57/76/1044585776.db2.gz KIXXOUMELJXGJB-PKOBYXMFSA-N 1 1 314.473 4.477 20 30 DIEDMO C[N@@H+](Cc1cc(F)cc(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000444692646 1044604912 /nfs/dbraw/zinc/60/49/12/1044604912.db2.gz FSSBDDXRKOIHNP-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO CC#CC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444745074 1044618685 /nfs/dbraw/zinc/61/86/85/1044618685.db2.gz SKDSILIGCRDKCC-LBPRGKRZSA-N 1 1 309.253 4.312 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793297 1044630376 /nfs/dbraw/zinc/63/03/76/1044630376.db2.gz RQQZTGBGLJTQGF-QGZVFWFLSA-N 1 1 300.446 4.000 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581521 1044663667 /nfs/dbraw/zinc/66/36/67/1044663667.db2.gz UTQNHZUNWAKRCC-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(F)c(F)c1 ZINC000886593901 1044666937 /nfs/dbraw/zinc/66/69/37/1044666937.db2.gz BKWNTJJGPQOXTO-DLBZAZTESA-N 1 1 300.352 4.254 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000428389290 1044672203 /nfs/dbraw/zinc/67/22/03/1044672203.db2.gz QDCIWFCWNMUZTO-UHFFFAOYSA-N 1 1 306.749 4.126 20 30 DIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000365442350 1044690504 /nfs/dbraw/zinc/69/05/04/1044690504.db2.gz JKSIAGSUAUBHBS-OAHLLOKOSA-N 1 1 305.491 4.481 20 30 DIEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318302 1044694933 /nfs/dbraw/zinc/69/49/33/1044694933.db2.gz SPYUBHWGDZVYKH-JTQLQIEISA-N 1 1 318.289 4.054 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318302 1044694940 /nfs/dbraw/zinc/69/49/40/1044694940.db2.gz SPYUBHWGDZVYKH-JTQLQIEISA-N 1 1 318.289 4.054 20 30 DIEDMO C=C(CC)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC001168084092 1044733028 /nfs/dbraw/zinc/73/30/28/1044733028.db2.gz FVSDKKOSCDDFJM-IEWDOMPSSA-N 1 1 320.521 4.137 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000570289928 1044746018 /nfs/dbraw/zinc/74/60/18/1044746018.db2.gz ZAWMCCUSLBTDKL-UHFFFAOYSA-N 1 1 320.223 4.282 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C#N)cn1 ZINC000570289928 1044746034 /nfs/dbraw/zinc/74/60/34/1044746034.db2.gz ZAWMCCUSLBTDKL-UHFFFAOYSA-N 1 1 320.223 4.282 20 30 DIEDMO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1 ZINC000367783006 1044752216 /nfs/dbraw/zinc/75/22/16/1044752216.db2.gz JOAIALSCHPFATL-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123808801 1044789440 /nfs/dbraw/zinc/78/94/40/1044789440.db2.gz XLLKYOSHUWKFMW-RBUKOAKNSA-N 1 1 300.446 4.049 20 30 DIEDMO N#CC1(CCC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000337142439 1044866866 /nfs/dbraw/zinc/86/68/66/1044866866.db2.gz WXZCIMDVTAZLEJ-GOSISDBHSA-N 1 1 316.420 4.063 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3sccc3[C@H]2C)cc1 ZINC000371392985 1044874002 /nfs/dbraw/zinc/87/40/02/1044874002.db2.gz WSJQUVMKBLJXDJ-ZIAGYGMSSA-N 1 1 312.438 4.158 20 30 DIEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000131790109 1044883281 /nfs/dbraw/zinc/88/32/81/1044883281.db2.gz DSAQXSKHTRWZQY-QGZVFWFLSA-N 1 1 310.445 4.133 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000573695372 1044916635 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C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](c2ccsc2)O1 ZINC000411315411 1044996256 /nfs/dbraw/zinc/99/62/56/1044996256.db2.gz IFNNJPPELWXRAV-DOTOQJQBSA-N 1 1 318.486 4.374 20 30 DIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](c2ccsc2)O1 ZINC000411315411 1044996267 /nfs/dbraw/zinc/99/62/67/1044996267.db2.gz IFNNJPPELWXRAV-DOTOQJQBSA-N 1 1 318.486 4.374 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000411487901 1045013933 /nfs/dbraw/zinc/01/39/33/1045013933.db2.gz NNTOYYZOASEMSL-HNNXBMFYSA-N 1 1 323.396 4.121 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000411487901 1045013947 /nfs/dbraw/zinc/01/39/47/1045013947.db2.gz NNTOYYZOASEMSL-HNNXBMFYSA-N 1 1 323.396 4.121 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000411776931 1045028039 /nfs/dbraw/zinc/02/80/39/1045028039.db2.gz DBSNJHXIPUIUOV-UKRRQHHQSA-N 1 1 321.262 4.006 20 30 DIEDMO Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000374226878 1045038279 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DIEDMO CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccc(C)cc2)cc1 ZINC001137896575 1046002876 /nfs/dbraw/zinc/00/28/76/1046002876.db2.gz HZUDZJKWTJXNDQ-UHFFFAOYSA-N 1 1 307.441 4.499 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCCC23CC3)cc1 ZINC001137898314 1046003896 /nfs/dbraw/zinc/00/38/96/1046003896.db2.gz NTPPZQMROZIBHL-UHFFFAOYSA-N 1 1 317.436 4.455 20 30 DIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cccc(C#N)c2)c2ccccn21 ZINC000755626041 1046003889 /nfs/dbraw/zinc/00/38/89/1046003889.db2.gz IUKOMKMMKCYVIC-MDZDMXLPSA-N 1 1 315.376 4.225 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001137902449 1046004939 /nfs/dbraw/zinc/00/49/39/1046004939.db2.gz CJVKCNKVADANFA-GHTZIAJQSA-N 1 1 317.436 4.310 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@H](CC#N)C3)cc2c1 ZINC001137923109 1046018067 /nfs/dbraw/zinc/01/80/67/1046018067.db2.gz ZTFVWRXSGNYFQU-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@H+]3CCC[C@H](CC#N)C3)cc2c1 ZINC001137923109 1046018080 /nfs/dbraw/zinc/01/80/80/1046018080.db2.gz ZTFVWRXSGNYFQU-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1F ZINC001138011920 1046054757 /nfs/dbraw/zinc/05/47/57/1046054757.db2.gz NGAMAPBNQQJBJQ-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C(F)(F)F)c1F ZINC001138011920 1046054773 /nfs/dbraw/zinc/05/47/73/1046054773.db2.gz NGAMAPBNQQJBJQ-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC(N=Nc1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779769243 1046058288 /nfs/dbraw/zinc/05/82/88/1046058288.db2.gz SSMDJIWWNFQGMK-KRWDZBQOSA-N 1 1 311.404 4.136 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902750167 1046058375 /nfs/dbraw/zinc/05/83/75/1046058375.db2.gz BDNQQLCRSPNDDR-LSDHHAIUSA-N 1 1 309.413 4.152 20 30 DIEDMO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1cccc(C#N)c1 ZINC000902785231 1046066500 /nfs/dbraw/zinc/06/65/00/1046066500.db2.gz CDUFKHWPVJSECN-GOSISDBHSA-N 1 1 316.408 4.051 20 30 DIEDMO CC(C)CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902783421 1046066564 /nfs/dbraw/zinc/06/65/64/1046066564.db2.gz DEAPJINCXYWDSY-INIZCTEOSA-N 1 1 323.440 4.229 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000902836352 1046083681 /nfs/dbraw/zinc/08/36/81/1046083681.db2.gz GSSFHKUNCVULDG-KBXCAEBGSA-N 1 1 319.408 4.050 20 30 DIEDMO C=CC[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1)c1ccccc1 ZINC000634676640 1046084922 /nfs/dbraw/zinc/08/49/22/1046084922.db2.gz JEJXMGRFNMUAMI-FBVQUNGASA-N 1 1 323.440 4.118 20 30 DIEDMO C=CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccncc1 ZINC000756583303 1046104746 /nfs/dbraw/zinc/10/47/46/1046104746.db2.gz MXLNOJSGRDQQTF-BZNIZROVSA-N 1 1 304.340 4.033 20 30 DIEDMO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc(C#N)c1 ZINC000902949696 1046124863 /nfs/dbraw/zinc/12/48/63/1046124863.db2.gz AYBMEDOINANCKB-CVEARBPZSA-N 1 1 314.335 4.011 20 30 DIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000756776527 1046131542 /nfs/dbraw/zinc/13/15/42/1046131542.db2.gz PUTJSDRZKUGFBA-YVEFUNNKSA-N 1 1 301.336 4.086 20 30 DIEDMO C[N@@H+]1Cc2ccccc2[C@H](/N=C\c2c(O)ccc3ccccc32)C1 ZINC000756841209 1046141957 /nfs/dbraw/zinc/14/19/57/1046141957.db2.gz POMSURSEMXGRRG-CXFFPLRNSA-N 1 1 316.404 4.151 20 30 DIEDMO C[N@@H+]1Cc2ccccc2[C@H](/N=C/c2c(O)ccc3ccccc32)C1 ZINC000756841210 1046142512 /nfs/dbraw/zinc/14/25/12/1046142512.db2.gz POMSURSEMXGRRG-XLKWYTADSA-N 1 1 316.404 4.151 20 30 DIEDMO C=CCCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000102337687 1046151413 /nfs/dbraw/zinc/15/14/13/1046151413.db2.gz APBONNMMTOFVHQ-UHFFFAOYSA-N 1 1 314.473 4.034 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(Br)cc12 ZINC001138319764 1046151829 /nfs/dbraw/zinc/15/18/29/1046151829.db2.gz CVXKDJQUSIJWQL-UHFFFAOYSA-N 1 1 320.234 4.056 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(Br)cc12 ZINC001138319764 1046151827 /nfs/dbraw/zinc/15/18/27/1046151827.db2.gz CVXKDJQUSIJWQL-UHFFFAOYSA-N 1 1 320.234 4.056 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000831624406 1046153116 /nfs/dbraw/zinc/15/31/16/1046153116.db2.gz VRQWOPYJMZCJOB-SFHVURJKSA-N 1 1 322.537 4.460 20 30 DIEDMO FC1(F)C[C@]12CC[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336163 1046153341 /nfs/dbraw/zinc/15/33/41/1046153341.db2.gz LOQSWYJMBUTPPO-FQEVSTJZSA-N 1 1 323.386 4.318 20 30 DIEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccccc2)cc1OC ZINC001138349385 1046154957 /nfs/dbraw/zinc/15/49/57/1046154957.db2.gz XFTDGNPIUJHPRL-IBGZPJMESA-N 1 1 323.436 4.290 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000756996823 1046157930 /nfs/dbraw/zinc/15/79/30/1046157930.db2.gz RZLXWGYHNVTOPJ-QGZVFWFLSA-N 1 1 314.772 4.102 20 30 DIEDMO C=CCCC[C@@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000903087797 1046161506 /nfs/dbraw/zinc/16/15/06/1046161506.db2.gz IXEXDIKFFAMATK-SJLPKXTDSA-N 1 1 312.461 4.436 20 30 DIEDMO CCCCOc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1OC ZINC000903100490 1046163247 /nfs/dbraw/zinc/16/32/47/1046163247.db2.gz QAMLGSQTNZNKBA-AWEZNQCLSA-N 1 1 304.434 4.074 20 30 DIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100015 1046163411 /nfs/dbraw/zinc/16/34/11/1046163411.db2.gz GBDAMXWCNBBIMA-LLVKDONJSA-N 1 1 317.433 4.458 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc2c(ccnc2Cl)o1 ZINC000903108437 1046164798 /nfs/dbraw/zinc/16/47/98/1046164798.db2.gz CREVGSHAXHMKPZ-LLVKDONJSA-N 1 1 303.793 4.216 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475714980 1046177328 /nfs/dbraw/zinc/17/73/28/1046177328.db2.gz KNUKYNYJXRRCHF-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001138443369 1046182599 /nfs/dbraw/zinc/18/25/99/1046182599.db2.gz AGZSDVMCTDQYNQ-INIZCTEOSA-N 1 1 308.425 4.364 20 30 DIEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2)cc1 ZINC001138517915 1046209832 /nfs/dbraw/zinc/20/98/32/1046209832.db2.gz QFPKYIKSXDLTAC-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2)cc1 ZINC001138517915 1046209840 /nfs/dbraw/zinc/20/98/40/1046209840.db2.gz QFPKYIKSXDLTAC-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)cc1 ZINC001138557304 1046224623 /nfs/dbraw/zinc/22/46/23/1046224623.db2.gz FURMUFQKSZROHK-OAQYLSRUSA-N 1 1 321.420 4.044 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)cc1 ZINC001138557303 1046225688 /nfs/dbraw/zinc/22/56/88/1046225688.db2.gz FURMUFQKSZROHK-NRFANRHFSA-N 1 1 321.420 4.044 20 30 DIEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1OC(C)C ZINC001138573951 1046231266 /nfs/dbraw/zinc/23/12/66/1046231266.db2.gz UBFRDFLSHMZYQH-UHFFFAOYSA-N 1 1 316.445 4.141 20 30 DIEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1OC(C)C ZINC001138573951 1046231272 /nfs/dbraw/zinc/23/12/72/1046231272.db2.gz UBFRDFLSHMZYQH-UHFFFAOYSA-N 1 1 316.445 4.141 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000245544272 1046240916 /nfs/dbraw/zinc/24/09/16/1046240916.db2.gz RUVGPCOCLZVXGI-PXNSSMCTSA-N 1 1 320.436 4.042 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)c1O ZINC001138628816 1046246709 /nfs/dbraw/zinc/24/67/09/1046246709.db2.gz FXRWYZCQJZCKDQ-HXUWFJFHSA-N 1 1 323.436 4.164 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1O ZINC001138625179 1046246879 /nfs/dbraw/zinc/24/68/79/1046246879.db2.gz GCYJOVHIOVSEDA-KRWDZBQOSA-N 1 1 323.436 4.119 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)c1O ZINC001138629306 1046247346 /nfs/dbraw/zinc/24/73/46/1046247346.db2.gz UHDOZFFWQSWZAV-LJQANCHMSA-N 1 1 323.436 4.082 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@H]1CCOC ZINC001138664366 1046259338 /nfs/dbraw/zinc/25/93/38/1046259338.db2.gz OQKREHRDKAAIHI-SFHVURJKSA-N 1 1 303.446 4.033 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001138663627 1046260299 /nfs/dbraw/zinc/26/02/99/1046260299.db2.gz ARUDUCSNLCFXMZ-IBGZPJMESA-N 1 1 308.425 4.374 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001138665563 1046260933 /nfs/dbraw/zinc/26/09/33/1046260933.db2.gz QMPSLVZKEUIQHA-SFHVURJKSA-N 1 1 322.452 4.416 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714008 1046262453 /nfs/dbraw/zinc/26/24/53/1046262453.db2.gz GNNRQJIUXNJJEI-RZQQEMMASA-N 1 1 306.409 4.170 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cccc(CC)c3nc2Cl)C1 ZINC001138730025 1046281577 /nfs/dbraw/zinc/28/15/77/1046281577.db2.gz PEMYMCHGWMATAS-AWEZNQCLSA-N 1 1 312.844 4.296 20 30 DIEDMO COc1cc(C)c(C[N@@H+](CCC#N)C2CCCC2)c(C)c1C ZINC001138728025 1046282146 /nfs/dbraw/zinc/28/21/46/1046282146.db2.gz AWIDGMKNTMZYMP-UHFFFAOYSA-N 1 1 300.446 4.279 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)ccc1F ZINC000758714082 1046287393 /nfs/dbraw/zinc/28/73/93/1046287393.db2.gz BEIGYPXYQVQVQH-UHFFFAOYSA-N 1 1 324.399 4.348 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(F)F)nc1 ZINC000637960753 1046289320 /nfs/dbraw/zinc/28/93/20/1046289320.db2.gz RSGSVFONUODPCZ-UHFFFAOYSA-N 1 1 318.367 4.216 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(F)F)nc1 ZINC000637960753 1046289334 /nfs/dbraw/zinc/28/93/34/1046289334.db2.gz RSGSVFONUODPCZ-UHFFFAOYSA-N 1 1 318.367 4.216 20 30 DIEDMO C=CC[N@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC001138767380 1046291758 /nfs/dbraw/zinc/29/17/58/1046291758.db2.gz RELJWZNUBFNDBK-UHFFFAOYSA-N 1 1 317.436 4.120 20 30 DIEDMO C=CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1ccccc1 ZINC001138767380 1046291771 /nfs/dbraw/zinc/29/17/71/1046291771.db2.gz RELJWZNUBFNDBK-UHFFFAOYSA-N 1 1 317.436 4.120 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001168181571 1046297401 /nfs/dbraw/zinc/29/74/01/1046297401.db2.gz FVJWVNFBZQDFGE-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862668 1046313418 /nfs/dbraw/zinc/31/34/18/1046313418.db2.gz NXBQJOOEZWLAFY-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862668 1046313433 /nfs/dbraw/zinc/31/34/33/1046313433.db2.gz NXBQJOOEZWLAFY-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO N#CCC[N@H+](Cc1cnc2ccccc2n1)C1CCCCCCC1 ZINC001138866848 1046315315 /nfs/dbraw/zinc/31/53/15/1046315315.db2.gz XGPFGRWQSNHDRZ-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO N#CCC[N@@H+](Cc1cnc2ccccc2n1)C1CCCCCCC1 ZINC001138866848 1046315329 /nfs/dbraw/zinc/31/53/29/1046315329.db2.gz XGPFGRWQSNHDRZ-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000832523967 1046336669 /nfs/dbraw/zinc/33/66/69/1046336669.db2.gz JWZNHWGTUOYWMC-FQEVSTJZSA-N 1 1 324.399 4.374 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138960243 1046342220 /nfs/dbraw/zinc/34/22/20/1046342220.db2.gz OZIBLUWRINSWID-FFGGFLGDSA-N 1 1 318.848 4.394 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138960243 1046342226 /nfs/dbraw/zinc/34/22/26/1046342226.db2.gz OZIBLUWRINSWID-FFGGFLGDSA-N 1 1 318.848 4.394 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cc(Br)ccc1OCC ZINC001138994355 1046353750 /nfs/dbraw/zinc/35/37/50/1046353750.db2.gz OPXASBGUYDNZAO-UHFFFAOYSA-N 1 1 310.235 4.022 20 30 DIEDMO CC(=[NH+]Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1O ZINC000748243487 1046358742 /nfs/dbraw/zinc/35/87/42/1046358742.db2.gz ABSAKHYSCWYRHF-UHFFFAOYSA-N 1 1 323.440 4.445 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001139029694 1046365751 /nfs/dbraw/zinc/36/57/51/1046365751.db2.gz HEZGLSLLHMCCBJ-HXUWFJFHSA-N 1 1 323.436 4.043 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639446371 1046401836 /nfs/dbraw/zinc/40/18/36/1046401836.db2.gz WOGGRWDOJGBCJK-UHFFFAOYSA-N 1 1 307.397 4.288 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2cccc3ccccc32)o1 ZINC000639446371 1046401838 /nfs/dbraw/zinc/40/18/38/1046401838.db2.gz WOGGRWDOJGBCJK-UHFFFAOYSA-N 1 1 307.397 4.288 20 30 DIEDMO N#C[C@@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139199253 1046410662 /nfs/dbraw/zinc/41/06/62/1046410662.db2.gz CXWMIXRXDKGJCD-HNNXBMFYSA-N 1 1 301.393 4.180 20 30 DIEDMO C=CCOCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001168208312 1046422809 /nfs/dbraw/zinc/42/28/09/1046422809.db2.gz NQAMXFZIMDAEPH-OAQYLSRUSA-N 1 1 307.437 4.031 20 30 DIEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)s2)cc1 ZINC001139289112 1046425792 /nfs/dbraw/zinc/42/57/92/1046425792.db2.gz GECQVLXGGQEEKL-GOSISDBHSA-N 1 1 312.438 4.159 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)s2)cc1 ZINC001139289112 1046425801 /nfs/dbraw/zinc/42/58/01/1046425801.db2.gz GECQVLXGGQEEKL-GOSISDBHSA-N 1 1 312.438 4.159 20 30 DIEDMO C=C1CCC(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC001139287003 1046426040 /nfs/dbraw/zinc/42/60/40/1046426040.db2.gz BAMLVLLPHJMIDE-UHFFFAOYSA-N 1 1 306.837 4.087 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307837 1046427064 /nfs/dbraw/zinc/42/70/64/1046427064.db2.gz PFVWOVQTKJHSQJ-UHFFFAOYSA-N 1 1 304.821 4.295 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc2ccc(OC)cc2nc1Cl ZINC001139307837 1046427070 /nfs/dbraw/zinc/42/70/70/1046427070.db2.gz 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ZINC000123988505 1046450852 /nfs/dbraw/zinc/45/08/52/1046450852.db2.gz PHBZNBFOSLOPRS-MRXNPFEDSA-N 1 1 302.462 4.343 20 30 DIEDMO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C[C@H]1CC1(C)C ZINC001139427853 1046451104 /nfs/dbraw/zinc/45/11/04/1046451104.db2.gz UKPHFWZDXHWBBL-QGZVFWFLSA-N 1 1 321.424 4.223 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1F ZINC001139529475 1046463010 /nfs/dbraw/zinc/46/30/10/1046463010.db2.gz TYDQWPUAIGLCFP-GOSISDBHSA-N 1 1 308.400 4.467 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1Cl ZINC001139595241 1046481167 /nfs/dbraw/zinc/48/11/67/1046481167.db2.gz FSXNNWWUNQKGNB-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cccnc2)cc1 ZINC001139644263 1046492553 /nfs/dbraw/zinc/49/25/53/1046492553.db2.gz ALFVTYZCXKTISR-IRTIRVBGSA-N 1 1 303.409 4.015 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)ccc2F)c1 ZINC001139651847 1046494558 /nfs/dbraw/zinc/49/45/58/1046494558.db2.gz WSHNLPLKUCJVQA-FQEVSTJZSA-N 1 1 324.399 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N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c(F)c1 ZINC001140139592 1046597117 /nfs/dbraw/zinc/59/71/17/1046597117.db2.gz XMLIZPHNAISKCP-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001140139926 1046598310 /nfs/dbraw/zinc/59/83/10/1046598310.db2.gz PFBDFKJBODDLCS-KRWDZBQOSA-N 1 1 324.399 4.086 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)o1 ZINC000093105464 1046610619 /nfs/dbraw/zinc/61/06/19/1046610619.db2.gz PEHIRAPBWRFFBH-IBGZPJMESA-N 1 1 305.381 4.360 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)o1 ZINC000093105464 1046610622 /nfs/dbraw/zinc/61/06/22/1046610622.db2.gz PEHIRAPBWRFFBH-IBGZPJMESA-N 1 1 305.381 4.360 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 ZINC000093105466 1046610682 /nfs/dbraw/zinc/61/06/82/1046610682.db2.gz PEHIRAPBWRFFBH-LJQANCHMSA-N 1 1 305.381 4.360 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)o1 ZINC000093105466 1046610684 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CC[C@H](c1ccccc1)[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143173884 1047537304 /nfs/dbraw/zinc/53/73/04/1047537304.db2.gz IGWALLCRHMOFHZ-QGZVFWFLSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143173883 1047537999 /nfs/dbraw/zinc/53/79/99/1047537999.db2.gz IGWALLCRHMOFHZ-KRWDZBQOSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143173883 1047538003 /nfs/dbraw/zinc/53/80/03/1047538003.db2.gz IGWALLCRHMOFHZ-KRWDZBQOSA-N 1 1 300.352 4.420 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788690 1047539012 /nfs/dbraw/zinc/53/90/12/1047539012.db2.gz JRKSNYKCZKWIOF-INIZCTEOSA-N 1 1 314.454 4.088 20 30 DIEDMO N#CCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000060569123 1047546218 /nfs/dbraw/zinc/54/62/18/1047546218.db2.gz ULDFXLAJEJAKGX-UHFFFAOYSA-N 1 1 307.372 4.003 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2nonc21)C1CCCCCCC1 ZINC001203135687 1047546282 /nfs/dbraw/zinc/54/62/82/1047546282.db2.gz 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313.832 4.256 20 30 DIEDMO Cc1ccc(CC#N)c(NCCOc2cccc3ccccc32)[nH+]1 ZINC001158151845 1047770117 /nfs/dbraw/zinc/77/01/17/1047770117.db2.gz GHXYGIRIAMEKKE-UHFFFAOYSA-N 1 1 317.392 4.100 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC001158609991 1047791786 /nfs/dbraw/zinc/79/17/86/1047791786.db2.gz LOKSIXAQIBCLFX-KRWDZBQOSA-N 1 1 312.457 4.313 20 30 DIEDMO N#Cc1c2ccc(Cl)cc2sc1NC=C1CC[NH2+]CC1 ZINC001159216716 1047822090 /nfs/dbraw/zinc/82/20/90/1047822090.db2.gz LDYCEJNFLYJXHT-UHFFFAOYSA-N 1 1 303.818 4.106 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(NCC#Cc2ccccc2)nc1 ZINC001159377013 1047836984 /nfs/dbraw/zinc/83/69/84/1047836984.db2.gz FKGLMXLBDYQWQV-FQEVSTJZSA-N 1 1 319.452 4.092 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001197748437 1047878231 /nfs/dbraw/zinc/87/82/31/1047878231.db2.gz GFSKQHAWRMGMKU-UHFFFAOYSA-N 1 1 314.477 4.147 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001197748437 1047878243 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C=C(C)C[N@H+]1CCCC[C@H]1C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001198195205 1047936429 /nfs/dbraw/zinc/93/64/29/1047936429.db2.gz SYKANFVEISURNY-INIZCTEOSA-N 1 1 322.493 4.112 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(N(C)C)cc1 ZINC000775834915 1047941580 /nfs/dbraw/zinc/94/15/80/1047941580.db2.gz VWJACXAZCKMMDT-ZDUSSCGKSA-N 1 1 313.832 4.128 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774645782 1047941781 /nfs/dbraw/zinc/94/17/81/1047941781.db2.gz BDCMUSZWERCSHT-QGZVFWFLSA-N 1 1 308.853 4.025 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774645782 1047941786 /nfs/dbraw/zinc/94/17/86/1047941786.db2.gz BDCMUSZWERCSHT-QGZVFWFLSA-N 1 1 308.853 4.025 20 30 DIEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001198269614 1047943399 /nfs/dbraw/zinc/94/33/99/1047943399.db2.gz BFIKZIHOLPWDQD-IWGBCORSSA-N 1 1 302.421 4.279 20 30 DIEDMO C=C(C)CN[C@]1(C)C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001198269761 1047944110 /nfs/dbraw/zinc/94/41/10/1047944110.db2.gz 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C=C(C)C[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000554185751 1048028962 /nfs/dbraw/zinc/02/89/62/1048028962.db2.gz ZKQJOCFJFVHUSX-UHFFFAOYSA-N 1 1 303.446 4.415 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000776012081 1048086701 /nfs/dbraw/zinc/08/67/01/1048086701.db2.gz YBUGJZVTPYIQGU-MRXNPFEDSA-N 1 1 306.409 4.259 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000554486734 1048110150 /nfs/dbraw/zinc/11/01/50/1048110150.db2.gz WINACZIWCIYCHM-INIZCTEOSA-N 1 1 321.449 4.371 20 30 DIEDMO CCCCCCCCCCN(C)C(=O)[C@H]([NH3+])c1cccs1 ZINC001161220989 1048115069 /nfs/dbraw/zinc/11/50/69/1048115069.db2.gz HGCHERHBXBAQOH-MRXNPFEDSA-N 1 1 310.507 4.347 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001161493758 1048134386 /nfs/dbraw/zinc/13/43/86/1048134386.db2.gz HKVHWLJCMDNIHX-ZWKOTPCHSA-N 1 1 322.537 4.458 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000554589439 1048134874 /nfs/dbraw/zinc/13/48/74/1048134874.db2.gz 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CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328622 1048832580 /nfs/dbraw/zinc/83/25/80/1048832580.db2.gz JFNUTDAJGALXIE-QUCCMNQESA-N 1 1 305.425 4.090 20 30 DIEDMO CC[C@H](c1ccccc1)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328622 1048832597 /nfs/dbraw/zinc/83/25/97/1048832597.db2.gz JFNUTDAJGALXIE-QUCCMNQESA-N 1 1 305.425 4.090 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000776590692 1048838436 /nfs/dbraw/zinc/83/84/36/1048838436.db2.gz FGLVPWLMHVDWNR-OALUTQOASA-N 1 1 314.473 4.295 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000852329287 1048838941 /nfs/dbraw/zinc/83/89/41/1048838941.db2.gz XRHKRNWTMGXYJL-CTNGQTDRSA-N 1 1 317.436 4.016 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000483703458 1048842133 /nfs/dbraw/zinc/84/21/33/1048842133.db2.gz XUWLKYWGNFAVBM-LJQANCHMSA-N 1 1 323.415 4.382 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000483711754 1048850482 /nfs/dbraw/zinc/85/04/82/1048850482.db2.gz OSUAQTAEWXDKEL-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)nc1C(F)(F)F ZINC000852687302 1048854199 /nfs/dbraw/zinc/85/41/99/1048854199.db2.gz IKJFRNZPNNGJMG-TXEJJXNPSA-N 1 1 316.754 4.437 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)nc1C(F)(F)F ZINC000852687302 1048854215 /nfs/dbraw/zinc/85/42/15/1048854215.db2.gz IKJFRNZPNNGJMG-TXEJJXNPSA-N 1 1 316.754 4.437 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC001191134539 1048876583 /nfs/dbraw/zinc/87/65/83/1048876583.db2.gz ZPVMTMDBKLHWJV-UHFFFAOYSA-N 1 1 308.853 4.371 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1F ZINC000483955634 1048886892 /nfs/dbraw/zinc/88/68/92/1048886892.db2.gz DESUCNWIFYRMDV-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1F ZINC000483956988 1048888049 /nfs/dbraw/zinc/88/80/49/1048888049.db2.gz NAKDNKVRUCJNEH-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964107 1048890771 /nfs/dbraw/zinc/89/07/71/1048890771.db2.gz NPYMXHDMSHCKOR-CXAGYDPISA-N 1 1 312.363 4.214 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001191192473 1048892361 /nfs/dbraw/zinc/89/23/61/1048892361.db2.gz FYNGWPGBBSIOHG-LJQANCHMSA-N 1 1 304.437 4.240 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1cc(C#N)ccn1 ZINC001191193148 1048896107 /nfs/dbraw/zinc/89/61/07/1048896107.db2.gz JQJQFXMDLBPLNS-HXUWFJFHSA-N 1 1 307.441 4.105 20 30 DIEDMO C[C@H]1[C@@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCC#N ZINC000484092820 1048900613 /nfs/dbraw/zinc/90/06/13/1048900613.db2.gz LOFDXDATXZKCRX-UWJYYQICSA-N 1 1 304.437 4.369 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853598446 1048910568 /nfs/dbraw/zinc/91/05/68/1048910568.db2.gz BDEMTJWJCNZLFD-LJQANCHMSA-N 1 1 306.365 4.027 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000853598439 1048910961 /nfs/dbraw/zinc/91/09/61/1048910961.db2.gz BDEMTJWJCNZLFD-IBGZPJMESA-N 1 1 306.365 4.027 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001191266965 1048912350 /nfs/dbraw/zinc/91/23/50/1048912350.db2.gz BNJIOLZFTLQVFZ-NRFANRHFSA-N 1 1 306.453 4.362 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1C(F)(F)F ZINC000484358526 1048926773 /nfs/dbraw/zinc/92/67/73/1048926773.db2.gz HBXYQGBPLRKRQB-HNNXBMFYSA-N 1 1 310.363 4.163 20 30 DIEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CC[C@@H]1C(F)(F)F ZINC000484360581 1048927298 /nfs/dbraw/zinc/92/72/98/1048927298.db2.gz ZNBCKTFSIDBNQO-ZDUSSCGKSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CC[C@@H]1C(F)(F)F ZINC000484360581 1048927306 /nfs/dbraw/zinc/92/73/06/1048927306.db2.gz ZNBCKTFSIDBNQO-ZDUSSCGKSA-N 1 1 314.326 4.108 20 30 DIEDMO C[C@H](Cc1cccs1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001191464245 1048954276 /nfs/dbraw/zinc/95/42/76/1048954276.db2.gz JVPZJHURWZLUGA-CQSZACIVSA-N 1 1 303.858 4.316 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccncc1 ZINC001177885757 1048957294 /nfs/dbraw/zinc/95/72/94/1048957294.db2.gz SMJZYDBDAHHOHA-UKRRQHHQSA-N 1 1 313.470 4.070 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccncc1 ZINC001177885753 1048959073 /nfs/dbraw/zinc/95/90/73/1048959073.db2.gz SMJZYDBDAHHOHA-HIFRSBDPSA-N 1 1 313.470 4.070 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001177879205 1048962727 /nfs/dbraw/zinc/96/27/27/1048962727.db2.gz BJMZUVHOQOYPPZ-ZSBDSZQGSA-N 1 1 320.521 4.378 20 30 DIEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691145 1048985131 /nfs/dbraw/zinc/98/51/31/1048985131.db2.gz LGCAGXCMAVWYMM-IAGOWNOFSA-N 1 1 322.493 4.207 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000854844752 1048995659 /nfs/dbraw/zinc/99/56/59/1048995659.db2.gz XFBNCXHXSSAKMS-OOKSDGMUSA-N 1 1 308.510 4.115 20 30 DIEDMO N#CCCOCC[N@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000338965338 1049003945 /nfs/dbraw/zinc/00/39/45/1049003945.db2.gz VLDWRYTZDRZEPQ-UHFFFAOYSA-N 1 1 306.837 4.015 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203829231 1049012596 /nfs/dbraw/zinc/01/25/96/1049012596.db2.gz GZHYLHQGBWVMKH-UHFFFAOYSA-N 1 1 307.434 4.023 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001203906620 1049027514 /nfs/dbraw/zinc/02/75/14/1049027514.db2.gz QLTUDUUDZSMDLR-IBGZPJMESA-N 1 1 306.409 4.042 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001203906620 1049027527 /nfs/dbraw/zinc/02/75/27/1049027527.db2.gz QLTUDUUDZSMDLR-IBGZPJMESA-N 1 1 306.409 4.042 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@]1(C)c1cccc(O)c1 ZINC001203905589 1049028105 /nfs/dbraw/zinc/02/81/05/1049028105.db2.gz VOWBFFBDWGUDMV-HRAATJIYSA-N 1 1 320.436 4.064 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)cc1 ZINC001203904917 1049029179 /nfs/dbraw/zinc/02/91/79/1049029179.db2.gz JSGVVZKGDWNTKI-UHFFFAOYSA-N 1 1 305.425 4.288 20 30 DIEDMO CC(C)CC[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001192158812 1049046015 /nfs/dbraw/zinc/04/60/15/1049046015.db2.gz MRAOICAJJKUFRF-GOSISDBHSA-N 1 1 300.446 4.228 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC[C@H](C)C1 ZINC000484860593 1049062930 /nfs/dbraw/zinc/06/29/30/1049062930.db2.gz IUCAJAXKULGSOR-WMZOPIPTSA-N 1 1 314.473 4.125 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(CSc2ccc(Cl)cc2)no1 ZINC000904530340 1049080494 /nfs/dbraw/zinc/08/04/94/1049080494.db2.gz RWLZFICNIDVYLS-CYBMUJFWSA-N 1 1 323.849 4.371 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000904537502 1049083576 /nfs/dbraw/zinc/08/35/76/1049083576.db2.gz KAZVGGGSWRZYKL-LBPRGKRZSA-N 1 1 311.307 4.112 20 30 DIEDMO N#CCCOCC[N@@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000338996655 1049096739 /nfs/dbraw/zinc/09/67/39/1049096739.db2.gz GFZFADCOVPMDRK-QGZVFWFLSA-N 1 1 306.837 4.187 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@@H]1C ZINC001204169777 1049101883 /nfs/dbraw/zinc/10/18/83/1049101883.db2.gz BALVSUDNDHAGRE-NWDGAFQWSA-N 1 1 312.226 4.232 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000904573469 1049103322 /nfs/dbraw/zinc/10/33/22/1049103322.db2.gz XFPDQVSNTHYTKQ-INIZCTEOSA-N 1 1 316.449 4.114 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCc4c(Cl)cccc4C3)cc2)CC1 ZINC001204180605 1049104929 /nfs/dbraw/zinc/10/49/29/1049104929.db2.gz PUXORLWLBIPGQN-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CCc4c(Cl)cccc4C3)cc2)CC1 ZINC001204180605 1049104934 /nfs/dbraw/zinc/10/49/34/1049104934.db2.gz PUXORLWLBIPGQN-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3[nH]c(C)c(C)c3c2)no1 ZINC000904576925 1049106924 /nfs/dbraw/zinc/10/69/24/1049106924.db2.gz KMPGUFPEZOYHTK-HNNXBMFYSA-N 1 1 310.401 4.191 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC001204242744 1049118295 /nfs/dbraw/zinc/11/82/95/1049118295.db2.gz QSATZZJTXBHGDB-INIZCTEOSA-N 1 1 307.441 4.031 20 30 DIEDMO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001192939721 1049156629 /nfs/dbraw/zinc/15/66/29/1049156629.db2.gz QLAROUOEHCANFU-INIZCTEOSA-N 1 1 311.372 4.018 20 30 DIEDMO C=CCCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001192939721 1049156634 /nfs/dbraw/zinc/15/66/34/1049156634.db2.gz QLAROUOEHCANFU-INIZCTEOSA-N 1 1 311.372 4.018 20 30 DIEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001192939722 1049156650 /nfs/dbraw/zinc/15/66/50/1049156650.db2.gz QLAROUOEHCANFU-MRXNPFEDSA-N 1 1 311.372 4.018 20 30 DIEDMO C=CCCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001192939722 1049156657 /nfs/dbraw/zinc/15/66/57/1049156657.db2.gz QLAROUOEHCANFU-MRXNPFEDSA-N 1 1 311.372 4.018 20 30 DIEDMO C=CC[N@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1ccccc1 ZINC001204411463 1049157026 /nfs/dbraw/zinc/15/70/26/1049157026.db2.gz YVCXUFKMFDEWHA-UHFFFAOYSA-N 1 1 318.420 4.490 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC001204432239 1049161581 /nfs/dbraw/zinc/16/15/81/1049161581.db2.gz SHJXMYFGNZSZBU-UHFFFAOYSA-N 1 1 321.468 4.282 20 30 DIEDMO Fc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204472166 1049171158 /nfs/dbraw/zinc/17/11/58/1049171158.db2.gz IKOGVCXELPYXIA-SNVBAGLBSA-N 1 1 315.232 4.229 20 30 DIEDMO Fc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001204472166 1049171166 /nfs/dbraw/zinc/17/11/66/1049171166.db2.gz IKOGVCXELPYXIA-SNVBAGLBSA-N 1 1 315.232 4.229 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)Oc1ccccc1 ZINC001204488110 1049174580 /nfs/dbraw/zinc/17/45/80/1049174580.db2.gz IUZDHYJPBOPYHX-UHFFFAOYSA-N 1 1 311.400 4.119 20 30 DIEDMO C#CC[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C1CCCCC1 ZINC001204495934 1049176895 /nfs/dbraw/zinc/17/68/95/1049176895.db2.gz CJGMQYUBDOAQMF-UHFFFAOYSA-N 1 1 314.379 4.281 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC001204601700 1049196669 /nfs/dbraw/zinc/19/66/69/1049196669.db2.gz JZHXLDQETTWWQQ-QGZVFWFLSA-N 1 1 303.833 4.117 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001179877938 1049225889 /nfs/dbraw/zinc/22/58/89/1049225889.db2.gz KPHYPETVOYBZTM-PMACEKPBSA-N 1 1 305.425 4.030 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC001193617594 1049231680 /nfs/dbraw/zinc/23/16/80/1049231680.db2.gz VWPRVQFLUCWHJG-NRFANRHFSA-N 1 1 324.468 4.372 20 30 DIEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)ccc1C#N ZINC001179937720 1049234296 /nfs/dbraw/zinc/23/42/96/1049234296.db2.gz PDEZJLALMDFDRX-KUHUBIRLSA-N 1 1 324.399 4.289 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(OC)c1 ZINC001179913829 1049238776 /nfs/dbraw/zinc/23/87/76/1049238776.db2.gz JNMKLAOEVWAVSL-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC001193686471 1049245495 /nfs/dbraw/zinc/24/54/95/1049245495.db2.gz KBVWUATZOUMMKI-VBKZILBWSA-N 1 1 305.425 4.153 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC001193686475 1049245894 /nfs/dbraw/zinc/24/58/94/1049245894.db2.gz KBVWUATZOUMMKI-XOBRGWDASA-N 1 1 305.425 4.153 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC#C)C1CCCCC1 ZINC001180030400 1049261574 /nfs/dbraw/zinc/26/15/74/1049261574.db2.gz LJTMWPLAGHYOHP-UHFFFAOYSA-N 1 1 315.844 4.120 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC#C)C1CCCCC1 ZINC001180030400 1049261592 /nfs/dbraw/zinc/26/15/92/1049261592.db2.gz LJTMWPLAGHYOHP-UHFFFAOYSA-N 1 1 315.844 4.120 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CCOc2ccccc2OC)CCCC1(C)C ZINC001193921120 1049284033 /nfs/dbraw/zinc/28/40/33/1049284033.db2.gz UOEUFROFMOIUDQ-SFHVURJKSA-N 1 1 303.446 4.141 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC001180114950 1049289226 /nfs/dbraw/zinc/28/92/26/1049289226.db2.gz PRSVPPYFYZVTOZ-IBGZPJMESA-N 1 1 308.425 4.351 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC001180114950 1049289241 /nfs/dbraw/zinc/28/92/41/1049289241.db2.gz PRSVPPYFYZVTOZ-IBGZPJMESA-N 1 1 308.425 4.351 20 30 DIEDMO C=CC[N@H+](Cc1ccc(N(C)C)cc1C)Cc1ccccc1F ZINC001180175724 1049295382 /nfs/dbraw/zinc/29/53/82/1049295382.db2.gz XFHBPZKXPVXMFS-UHFFFAOYSA-N 1 1 312.432 4.388 20 30 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FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001195147107 1049484072 /nfs/dbraw/zinc/48/40/72/1049484072.db2.gz ISJSTBVYHCVIOE-MRXNPFEDSA-N 1 1 323.358 4.059 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502297 1049487718 /nfs/dbraw/zinc/48/77/18/1049487718.db2.gz PBYNXTBRFZBRPX-QGZVFWFLSA-N 1 1 324.399 4.086 20 30 DIEDMO C#CC[N@@H+](CCCCCOc1ccccc1)Cc1ccccc1 ZINC001181637368 1049493502 /nfs/dbraw/zinc/49/35/02/1049493502.db2.gz DAMDHHISVFJXOW-UHFFFAOYSA-N 1 1 307.437 4.371 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2cc3cnn(C(C)C)c3nc2Cl)C1 ZINC000862439992 1049493672 /nfs/dbraw/zinc/49/36/72/1049493672.db2.gz DAICSZCNKVHLOL-CYBMUJFWSA-N 1 1 318.852 4.064 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccnn2CC2CCC2)CCCC1(C)C ZINC001205569144 1049499344 /nfs/dbraw/zinc/49/93/44/1049499344.db2.gz QMPWZNDGOXHILL-SFHVURJKSA-N 1 1 301.478 4.250 20 30 DIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc(Cl)cs1)C2 ZINC000862542720 1049500864 /nfs/dbraw/zinc/50/08/64/1049500864.db2.gz 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C=CCCCCCCCC[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC001209443111 1050060615 /nfs/dbraw/zinc/06/06/15/1050060615.db2.gz LVALTVSUTDZNRN-QGZVFWFLSA-N 1 1 305.466 4.474 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)Cc2ccccc2O1 ZINC000590025125 1050072298 /nfs/dbraw/zinc/07/22/98/1050072298.db2.gz KMROITYTOFZXAZ-MRXNPFEDSA-N 1 1 320.436 4.271 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3[nH]cc(Cl)c31)C2 ZINC001209658450 1050074653 /nfs/dbraw/zinc/07/46/53/1050074653.db2.gz RFZIVAIHIMQFDB-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1c(Cl)c(Cl)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209851171 1050096124 /nfs/dbraw/zinc/09/61/24/1050096124.db2.gz JVDFINULMLWIDP-UHFFFAOYSA-N 1 1 303.152 4.485 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000590955535 1050114783 /nfs/dbraw/zinc/11/47/83/1050114783.db2.gz LFIHQDCGWMBNPU-SFHVURJKSA-N 1 1 321.380 4.097 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000591082876 1050122088 /nfs/dbraw/zinc/12/20/88/1050122088.db2.gz 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DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001170025873 1050240837 /nfs/dbraw/zinc/24/08/37/1050240837.db2.gz JLGREZNXPWWEEB-HXUWFJFHSA-N 1 1 308.425 4.458 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC001170025870 1050240960 /nfs/dbraw/zinc/24/09/60/1050240960.db2.gz JLGREZNXPWWEEB-FQEVSTJZSA-N 1 1 308.425 4.458 20 30 DIEDMO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)cc1 ZINC000592099878 1050267006 /nfs/dbraw/zinc/26/70/06/1050267006.db2.gz VZSPGGZDVZGPSP-OCBCSQNSSA-N 1 1 311.816 4.094 20 30 DIEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC(C)(C)C1 ZINC001171087519 1050303537 /nfs/dbraw/zinc/30/35/37/1050303537.db2.gz TWYQPUUEGSBNQV-UHFFFAOYSA-N 1 1 306.837 4.253 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088864 1050304565 /nfs/dbraw/zinc/30/45/65/1050304565.db2.gz WVAVMWVADKCLCI-XJKSGUPXSA-N 1 1 309.240 4.086 20 30 DIEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(Cl)cc(Cl)c3C2)C1 ZINC001171088864 1050304578 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CCC[N@@H+](CCc1ccccn1)Cc1c(Cl)cccc1C#N ZINC001143731300 1050347386 /nfs/dbraw/zinc/34/73/86/1050347386.db2.gz RQFLTSZDJMFTQQ-UHFFFAOYSA-N 1 1 313.832 4.061 20 30 DIEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001143731067 1050347714 /nfs/dbraw/zinc/34/77/14/1050347714.db2.gz KVGYEUXTOIUVNJ-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001143731067 1050347721 /nfs/dbraw/zinc/34/77/21/1050347721.db2.gz KVGYEUXTOIUVNJ-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C1CC1 ZINC000772381383 1050354658 /nfs/dbraw/zinc/35/46/58/1050354658.db2.gz KGTRHKYNKYVJAP-UHFFFAOYSA-N 1 1 311.425 4.375 20 30 DIEDMO C=CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C1CC1 ZINC000772380481 1050356555 /nfs/dbraw/zinc/35/65/55/1050356555.db2.gz FMDSXZAIZYVKGV-UHFFFAOYSA-N 1 1 302.418 4.184 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735306405 1050366357 /nfs/dbraw/zinc/36/63/57/1050366357.db2.gz NBXWULQJJAYILX-AWEZNQCLSA-N 1 1 314.816 4.435 20 30 DIEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305955 1050368510 /nfs/dbraw/zinc/36/85/10/1050368510.db2.gz FTMWITYVEWPJQY-CJNGLKHVSA-N 1 1 306.837 4.253 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC001143810235 1050370081 /nfs/dbraw/zinc/37/00/81/1050370081.db2.gz NTOMXMAEGBFDMJ-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO Cc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2OCC#N)c1 ZINC000735308704 1050372214 /nfs/dbraw/zinc/37/22/14/1050372214.db2.gz PTZJKCDLJUHDOS-UHFFFAOYSA-N 1 1 314.816 4.183 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309566 1050372254 /nfs/dbraw/zinc/37/22/54/1050372254.db2.gz PCSQZUBCSDGJAR-MRXNPFEDSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735309565 1050373789 /nfs/dbraw/zinc/37/37/89/1050373789.db2.gz PCSQZUBCSDGJAR-INIZCTEOSA-N 1 1 306.837 4.253 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143879171 1050391773 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FC(F)Oc1cccc(Cl)c1C[NH2+]CC#Cc1ccccc1 ZINC000736354994 1050469353 /nfs/dbraw/zinc/46/93/53/1050469353.db2.gz BAZYFNWNVIMLEE-UHFFFAOYSA-N 1 1 321.754 4.083 20 30 DIEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2CC2CCCC2)CCOCC1 ZINC000594053469 1050470308 /nfs/dbraw/zinc/47/03/08/1050470308.db2.gz QBFFSCYRSSVXNU-GOSISDBHSA-N 1 1 304.478 4.132 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312448 1050529423 /nfs/dbraw/zinc/52/94/23/1050529423.db2.gz OQMIWGRZTOYNPG-MJGOQNOKSA-N 1 1 320.436 4.275 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C(C)C ZINC000787104171 1050554066 /nfs/dbraw/zinc/55/40/66/1050554066.db2.gz RSBFLGREOQLRQV-UHFFFAOYSA-N 1 1 323.362 4.492 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@@H+](CC)CC1 ZINC001144387209 1050556899 /nfs/dbraw/zinc/55/68/99/1050556899.db2.gz BZEAZSURQHCKFX-GOSISDBHSA-N 1 1 310.526 4.317 20 30 DIEDMO CC[C@](C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000594920375 1050564467 /nfs/dbraw/zinc/56/44/67/1050564467.db2.gz 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1050611892 /nfs/dbraw/zinc/61/18/92/1050611892.db2.gz NGZJYLUBIQWMEF-OAHLLOKOSA-N 1 1 304.434 4.426 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(OC)c3)C2)cc1 ZINC001144578698 1050619447 /nfs/dbraw/zinc/61/94/47/1050619447.db2.gz JRRCIBCBOARILA-HXUWFJFHSA-N 1 1 305.421 4.056 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](C)CCCC(C)C)CCC2 ZINC001170077661 1050620551 /nfs/dbraw/zinc/62/05/51/1050620551.db2.gz LTUHIQQNCXBMKK-KRWDZBQOSA-N 1 1 319.493 4.006 20 30 DIEDMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000595332387 1050621355 /nfs/dbraw/zinc/62/13/55/1050621355.db2.gz CVSKEWYIZRVPJG-OIISXLGYSA-N 1 1 306.400 4.440 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001171204440 1050646369 /nfs/dbraw/zinc/64/63/69/1050646369.db2.gz XWJOYYKOLNMKOS-YWZLYKJASA-N 1 1 308.400 4.465 20 30 DIEDMO N#CC[C@@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000595616600 1050652736 /nfs/dbraw/zinc/65/27/36/1050652736.db2.gz UZFMEHAMUKRXRQ-KRWDZBQOSA-N 1 1 308.425 4.234 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC000595623281 1050653063 /nfs/dbraw/zinc/65/30/63/1050653063.db2.gz LSTMMSHINJDGSQ-GOSISDBHSA-N 1 1 320.436 4.391 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)c(Cl)c1 ZINC000595614177 1050657251 /nfs/dbraw/zinc/65/72/51/1050657251.db2.gz HCRKSSYTJREDHV-UHFFFAOYSA-N 1 1 300.789 4.184 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000595613316 1050657671 /nfs/dbraw/zinc/65/76/71/1050657671.db2.gz AUZHUZBKAWTKAC-GOSISDBHSA-N 1 1 320.436 4.391 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000595614364 1050658249 /nfs/dbraw/zinc/65/82/49/1050658249.db2.gz LEXFBFDAJYFMOC-OAHLLOKOSA-N 1 1 310.363 4.264 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000595760093 1050664975 /nfs/dbraw/zinc/66/49/75/1050664975.db2.gz PRDWKXBUKSKXOZ-QGZVFWFLSA-N 1 1 318.436 4.308 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000595760093 1050664981 /nfs/dbraw/zinc/66/49/81/1050664981.db2.gz PRDWKXBUKSKXOZ-QGZVFWFLSA-N 1 1 318.436 4.308 20 30 DIEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000593111239 1050665155 /nfs/dbraw/zinc/66/51/55/1050665155.db2.gz GZANOIPCIPKVNI-UHFFFAOYSA-N 1 1 316.326 4.356 20 30 DIEDMO N#CC1(CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CCCCC1 ZINC000595791111 1050669933 /nfs/dbraw/zinc/66/99/33/1050669933.db2.gz ZRCJEVOGVPAKEF-ROUUACIJSA-N 1 1 304.478 4.132 20 30 DIEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000595816504 1050671101 /nfs/dbraw/zinc/67/11/01/1050671101.db2.gz XUBATBSCENDKRB-MRXNPFEDSA-N 1 1 312.457 4.021 20 30 DIEDMO Cc1ccc2c(C)cc(N=NC3CC[N@@H+](C)[C@@H](C)C3)nc2c1C ZINC000741454619 1050685964 /nfs/dbraw/zinc/68/59/64/1050685964.db2.gz GTRDHMWPMKSUJF-AWEZNQCLSA-N 1 1 310.445 4.042 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001171221404 1050710993 /nfs/dbraw/zinc/71/09/93/1050710993.db2.gz MIPCIKFVIUTDHF-YJBOKZPZSA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1Cl 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FCVKZXJKZLDGDP-JXFKEZNVSA-N 1 1 305.425 4.030 20 30 DIEDMO CC1(C)CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000741804268 1050746823 /nfs/dbraw/zinc/74/68/23/1050746823.db2.gz HQIQZQCNZYGOGS-UHFFFAOYSA-N 1 1 306.837 4.254 20 30 DIEDMO C#CC[N@H+](CCCOc1cccc(Cl)c1)Cc1ccccc1 ZINC001170093687 1050766303 /nfs/dbraw/zinc/76/63/03/1050766303.db2.gz CXCBDKSOLXBKRS-UHFFFAOYSA-N 1 1 313.828 4.244 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601318090 1050787588 /nfs/dbraw/zinc/78/75/88/1050787588.db2.gz IYTHTSTXFGCVGQ-OALUTQOASA-N 1 1 312.363 4.375 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979116 1050792210 /nfs/dbraw/zinc/79/22/10/1050792210.db2.gz DVYQIJGWSRPFTP-UHFFFAOYSA-N 1 1 308.450 4.491 20 30 DIEDMO CC[N@@H+](Cc1c(C2CCC2)cnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984255 1050794517 /nfs/dbraw/zinc/79/45/17/1050794517.db2.gz RYBKLUXMPCDGAK-OAHLLOKOSA-N 1 1 322.456 4.142 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)cc2)CC1 ZINC000597015164 1050799872 /nfs/dbraw/zinc/79/98/72/1050799872.db2.gz WKULBPIJWGMQIG-HXUWFJFHSA-N 1 1 324.468 4.165 20 30 DIEDMO Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(Cl)n1 ZINC000847056671 1050804676 /nfs/dbraw/zinc/80/46/76/1050804676.db2.gz FUZMYSAFULEOMT-UHFFFAOYSA-N 1 1 311.816 4.084 20 30 DIEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116963 1050808966 /nfs/dbraw/zinc/80/89/66/1050808966.db2.gz STIOZBLODIYRAN-DOMZBBRYSA-N 1 1 308.347 4.014 20 30 DIEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116964 1050809802 /nfs/dbraw/zinc/80/98/02/1050809802.db2.gz STIOZBLODIYRAN-IUODEOHRSA-N 1 1 308.347 4.014 20 30 DIEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088526 1050809924 /nfs/dbraw/zinc/80/99/24/1050809924.db2.gz OZVXAYGDGGJOPY-XJKSGUPXSA-N 1 1 322.374 4.405 20 30 DIEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137366 1050811550 /nfs/dbraw/zinc/81/15/50/1050811550.db2.gz GFHJQCRIIODATA-CJNGLKHVSA-N 1 1 322.374 4.405 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172506 1050815842 /nfs/dbraw/zinc/81/58/42/1050815842.db2.gz BOMDMPAGIUMXQF-QGZVFWFLSA-N 1 1 321.424 4.308 20 30 DIEDMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175036 1050817816 /nfs/dbraw/zinc/81/78/16/1050817816.db2.gz UVPDSKKEPYFUGN-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC000597175835 1050819187 /nfs/dbraw/zinc/81/91/87/1050819187.db2.gz FCSQEDHPSLVAGM-CYBMUJFWSA-N 1 1 316.351 4.350 20 30 DIEDMO N#CCC1C[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)C1 ZINC000597194129 1050819400 /nfs/dbraw/zinc/81/94/00/1050819400.db2.gz OBFSGIKKLZTUEI-UHFFFAOYSA-N 1 1 314.335 4.103 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000597178167 1050820196 /nfs/dbraw/zinc/82/01/96/1050820196.db2.gz WASDYLWQXCFMIM-GOSISDBHSA-N 1 1 304.437 4.444 20 30 DIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000597178276 1050821441 /nfs/dbraw/zinc/82/14/41/1050821441.db2.gz WXIOWKBXWBCONL-HNNXBMFYSA-N 1 1 317.864 4.066 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2N2CCCC2)C1 ZINC000597178276 1050821453 /nfs/dbraw/zinc/82/14/53/1050821453.db2.gz WXIOWKBXWBCONL-HNNXBMFYSA-N 1 1 317.864 4.066 20 30 DIEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(Cl)c1O ZINC000597227006 1050826357 /nfs/dbraw/zinc/82/63/57/1050826357.db2.gz ZINOOSGYMMUGKS-UHFFFAOYSA-N 1 1 322.836 4.008 20 30 DIEDMO N#CCC1C[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)C1 ZINC000597204530 1050827195 /nfs/dbraw/zinc/82/71/95/1050827195.db2.gz ZKBNJHIFQREJEM-DAXSKMNVSA-N 1 1 318.420 4.124 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2OC2CCCC2)c1 ZINC000742383946 1050827132 /nfs/dbraw/zinc/82/71/32/1050827132.db2.gz VXDFIUMISZXYTP-UHFFFAOYSA-N 1 1 324.399 4.309 20 30 DIEDMO Cc1cc([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)c(O)cc1Cl ZINC000597222569 1050827297 /nfs/dbraw/zinc/82/72/97/1050827297.db2.gz FSCHJOFIRFPIFU-CQSZACIVSA-N 1 1 320.864 4.473 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)cc2)CC1 ZINC000597225217 1050830332 /nfs/dbraw/zinc/83/03/32/1050830332.db2.gz PYAWBQVLXKDBIG-QUCCMNQESA-N 1 1 324.468 4.023 20 30 DIEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450237 1050834771 /nfs/dbraw/zinc/83/47/71/1050834771.db2.gz LCAWYMNWFUHTCF-MCIONIFRSA-N 1 1 306.837 4.109 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000773002775 1051017725 /nfs/dbraw/zinc/01/77/25/1051017725.db2.gz UBRJBQYABSSIBP-GFCCVEGCSA-N 1 1 316.626 4.005 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(Cl)cc(N)[nH+]1 ZINC001171368448 1051017710 /nfs/dbraw/zinc/01/77/10/1051017710.db2.gz FREIWJVNZGLXQD-LLVKDONJSA-N 1 1 303.793 4.055 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1c[nH+]c(N(C)C)cc1C ZINC001171374733 1051039272 /nfs/dbraw/zinc/03/92/72/1051039272.db2.gz URYIBWZNIWJEHJ-OAHLLOKOSA-N 1 1 311.429 4.194 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(OC(F)F)cc[nH+]1 ZINC001171375933 1051042174 /nfs/dbraw/zinc/04/21/74/1051042174.db2.gz 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1051194818 /nfs/dbraw/zinc/19/48/18/1051194818.db2.gz UNNUCXVJZAXHDJ-IVMQYODDSA-N 1 1 300.421 4.072 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000744654197 1051196017 /nfs/dbraw/zinc/19/60/17/1051196017.db2.gz BINRJHVUOXFJIK-MSOLQXFVSA-N 1 1 308.510 4.212 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001170378475 1051199302 /nfs/dbraw/zinc/19/93/02/1051199302.db2.gz CQVBTOFWOQQXKE-XVAXZDLZSA-N 1 1 324.468 4.036 20 30 DIEDMO C[C@]1(CF)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378767 1051199992 /nfs/dbraw/zinc/19/99/92/1051199992.db2.gz KNWRDQIFLGLUMB-JLAWEPINSA-N 1 1 300.421 4.072 20 30 DIEDMO C=C[C@@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001171740686 1051216691 /nfs/dbraw/zinc/21/66/91/1051216691.db2.gz KVOXWLXQFGZZDK-DZFGPLHGSA-N 1 1 306.453 4.166 20 30 DIEDMO C=C[C@@H](N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001171740686 1051216699 /nfs/dbraw/zinc/21/66/99/1051216699.db2.gz KVOXWLXQFGZZDK-DZFGPLHGSA-N 1 1 306.453 4.166 20 30 DIEDMO C[C@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)C ZINC000793114532 1051248347 /nfs/dbraw/zinc/24/83/47/1051248347.db2.gz HQTRRMRWWKBUGP-NSHDSACASA-N 1 1 315.383 4.130 20 30 DIEDMO CC[C@@H](C)CON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000793146994 1051254743 /nfs/dbraw/zinc/25/47/43/1051254743.db2.gz XFLHXYVPVUHJOU-VTBWFHPJSA-N 1 1 302.462 4.480 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172103796 1051297424 /nfs/dbraw/zinc/29/74/24/1051297424.db2.gz YSEHZZCNNNHHEA-BJWYYQGGSA-N 1 1 322.493 4.205 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001172306678 1051334144 /nfs/dbraw/zinc/33/41/44/1051334144.db2.gz KYEGLDIRPVJTNV-LAUBAEHRSA-N 1 1 304.437 4.054 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001172307937 1051334940 /nfs/dbraw/zinc/33/49/40/1051334940.db2.gz RFEJLRGRKQEVJX-CRAIPNDOSA-N 1 1 308.400 4.118 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311043 1051335203 /nfs/dbraw/zinc/33/52/03/1051335203.db2.gz NSBUPYUQPBNIBM-JXFKEZNVSA-N 1 1 305.425 4.030 20 30 DIEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311405 1051335315 /nfs/dbraw/zinc/33/53/15/1051335315.db2.gz SLUKIVNGRDYJTG-KRWDZBQOSA-N 1 1 320.436 4.083 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307973 1051335551 /nfs/dbraw/zinc/33/55/51/1051335551.db2.gz RSUHBKQURUXOAS-IIBYNOLFSA-N 1 1 320.436 4.335 20 30 DIEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311406 1051335620 /nfs/dbraw/zinc/33/56/20/1051335620.db2.gz SLUKIVNGRDYJTG-QGZVFWFLSA-N 1 1 320.436 4.083 20 30 DIEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746207377 1051335945 /nfs/dbraw/zinc/33/59/45/1051335945.db2.gz FUHYGHBFVJABJS-MJGOQNOKSA-N 1 1 320.521 4.212 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001172311191 1051336287 /nfs/dbraw/zinc/33/62/87/1051336287.db2.gz QPKPCGJGMUCQIO-INIZCTEOSA-N 1 1 304.437 4.283 20 30 DIEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746207376 1051336474 /nfs/dbraw/zinc/33/64/74/1051336474.db2.gz FUHYGHBFVJABJS-IEBWSBKVSA-N 1 1 320.521 4.212 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC001172316533 1051337433 /nfs/dbraw/zinc/33/74/33/1051337433.db2.gz UFUXLZLZULVXMZ-AWEZNQCLSA-N 1 1 321.449 4.231 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c3ccccc3oc2C1 ZINC001172311514 1051338035 /nfs/dbraw/zinc/33/80/35/1051338035.db2.gz SUSVJHIJMSXFMC-OAHLLOKOSA-N 1 1 316.404 4.294 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318456 1051340278 /nfs/dbraw/zinc/34/02/78/1051340278.db2.gz GEGDYHRFEIDQLD-IERDGZPVSA-N 1 1 320.436 4.335 20 30 DIEDMO C#CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001172319798 1051340312 /nfs/dbraw/zinc/34/03/12/1051340312.db2.gz RKLHBIDLCVNSCD-HTAPYJJXSA-N 1 1 314.432 4.112 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172317431 1051340729 /nfs/dbraw/zinc/34/07/29/1051340729.db2.gz RHBLKPADQZGKME-HRAATJIYSA-N 1 1 322.427 4.335 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001172320542 1051342067 /nfs/dbraw/zinc/34/20/67/1051342067.db2.gz VOHIGQQMTOZALF-OXJNMPFZSA-N 1 1 322.477 4.279 20 30 DIEDMO C=C(C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)c1ccccc1 ZINC000379657324 1051356271 /nfs/dbraw/zinc/35/62/71/1051356271.db2.gz SBLKKHMKGCUZAE-UGKGYDQZSA-N 1 1 320.480 4.343 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001172355072 1051369588 /nfs/dbraw/zinc/36/95/88/1051369588.db2.gz MHRLPLHNVRYGJY-QGZVFWFLSA-N 1 1 321.509 4.374 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cnc(COCC)c2C1 ZINC001172355072 1051369599 /nfs/dbraw/zinc/36/95/99/1051369599.db2.gz MHRLPLHNVRYGJY-QGZVFWFLSA-N 1 1 321.509 4.374 20 30 DIEDMO C#CC[N@@H+](Cc1oc(CCC)nc1C)[C@H]1CCc2ccccc21 ZINC000794292162 1051369783 /nfs/dbraw/zinc/36/97/83/1051369783.db2.gz DESFFJVVKPHHRP-SFHVURJKSA-N 1 1 308.425 4.058 20 30 DIEDMO C#CC[N@H+](Cc1oc(CCC)nc1C)[C@H]1CCc2ccccc21 ZINC000794292162 1051369794 /nfs/dbraw/zinc/36/97/94/1051369794.db2.gz DESFFJVVKPHHRP-SFHVURJKSA-N 1 1 308.425 4.058 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCc2onc(COC)c2C1 ZINC001172355676 1051370263 /nfs/dbraw/zinc/37/02/63/1051370263.db2.gz QSLWXLOEDRYUPR-HNNXBMFYSA-N 1 1 308.466 4.318 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](C)Cc1nnc2ccccn21 ZINC001172359588 1051371569 /nfs/dbraw/zinc/37/15/69/1051371569.db2.gz YQVKASGKLOEHHG-INIZCTEOSA-N 1 1 302.466 4.300 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001172356916 1051372895 /nfs/dbraw/zinc/37/28/95/1051372895.db2.gz ZQHPCPPTYGPNBZ-PKOBYXMFSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001172359934 1051374318 /nfs/dbraw/zinc/37/43/18/1051374318.db2.gz GKAJFYGACZOBQU-MOPGFXCFSA-N 1 1 310.526 4.457 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCOC2(CCOCC2)C1 ZINC001172500580 1051419884 /nfs/dbraw/zinc/41/98/84/1051419884.db2.gz AORZQGYXVZJNQZ-SFHVURJKSA-N 1 1 311.510 4.397 20 30 DIEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cccc(Br)c1F ZINC001172503061 1051422050 /nfs/dbraw/zinc/42/20/50/1051422050.db2.gz XXXWRUXUBQIPRJ-NSHDSACASA-N 1 1 313.214 4.102 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172505489 1051423951 /nfs/dbraw/zinc/42/39/51/1051423951.db2.gz NZCOEYGQTIFQKK-WMZOPIPTSA-N 1 1 310.482 4.090 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC001172508361 1051424224 /nfs/dbraw/zinc/42/42/24/1051424224.db2.gz CJRDRGOJICFZEA-QZWWFDLISA-N 1 1 320.477 4.044 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172507781 1051424488 /nfs/dbraw/zinc/42/44/88/1051424488.db2.gz BLSIYEAUIYMANP-JKSUJKDBSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511767 1051429052 /nfs/dbraw/zinc/42/90/52/1051429052.db2.gz WPHWXKGBOHEGEY-IAGOWNOFSA-N 1 1 317.539 4.025 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C)c(F)c1 ZINC001168825736 1051445864 /nfs/dbraw/zinc/44/58/64/1051445864.db2.gz LMNPJRUNWPPFEZ-GOSISDBHSA-N 1 1 300.352 4.386 20 30 DIEDMO Cc1ccccc1SC[C@@H](C)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC001168838041 1051450836 /nfs/dbraw/zinc/45/08/36/1051450836.db2.gz KWRAISUNVZQFLM-CABCVRRESA-N 1 1 302.487 4.347 20 30 DIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967799 1051481678 /nfs/dbraw/zinc/48/16/78/1051481678.db2.gz BFVWACWPFAYAOZ-IBGZPJMESA-N 1 1 319.452 4.141 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001129701951 1051489708 /nfs/dbraw/zinc/48/97/08/1051489708.db2.gz FZSRGWQSNYBRJN-GOSISDBHSA-N 1 1 316.489 4.080 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001129701951 1051489718 /nfs/dbraw/zinc/48/97/18/1051489718.db2.gz FZSRGWQSNYBRJN-GOSISDBHSA-N 1 1 316.489 4.080 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]2C ZINC001169162019 1051540076 /nfs/dbraw/zinc/54/00/76/1051540076.db2.gz AOUBTOCGQPFVQL-HOTGVXAUSA-N 1 1 320.436 4.383 20 30 DIEDMO C[C@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172883421 1051567622 /nfs/dbraw/zinc/56/76/22/1051567622.db2.gz UNJGUTBVPOUDAV-ZIAGYGMSSA-N 1 1 308.878 4.446 20 30 DIEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173084561 1051605117 /nfs/dbraw/zinc/60/51/17/1051605117.db2.gz SUNYJBHJABYNSP-CYBMUJFWSA-N 1 1 314.351 4.142 20 30 DIEDMO CC[NH+](CC)C1CCC(N(CCC#N)Cc2ccccc2)CC1 ZINC001173108538 1051610358 /nfs/dbraw/zinc/61/03/58/1051610358.db2.gz MKHNAVOBKVCGSN-UHFFFAOYSA-N 1 1 313.489 4.055 20 30 DIEDMO O=C1C=C2C[N@@H+](C3CCC4(CCCCC4)CC3)CCC2S1 ZINC001173116328 1051614140 /nfs/dbraw/zinc/61/41/40/1051614140.db2.gz MANGALGQFSUDKP-INIZCTEOSA-N 1 1 305.487 4.154 20 30 DIEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001170478064 1051623712 /nfs/dbraw/zinc/62/37/12/1051623712.db2.gz AFMGZVOPEVFVPT-LJQANCHMSA-N 1 1 300.446 4.228 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2NCCc1coc2ccccc12 ZINC001169591689 1051652341 /nfs/dbraw/zinc/65/23/41/1051652341.db2.gz XXTNZXXLCGAXJV-UHFFFAOYSA-N 1 1 318.380 4.018 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](CCCC)CC(C)C)C2)C1=O ZINC001173263274 1051663321 /nfs/dbraw/zinc/66/33/21/1051663321.db2.gz VNKSBDFINDCAMQ-ICSRJNTNSA-N 1 1 320.521 4.092 20 30 DIEDMO CCCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000805791632 1051683845 /nfs/dbraw/zinc/68/38/45/1051683845.db2.gz LZQINPMGKKAXQN-OAHLLOKOSA-N 1 1 304.482 4.283 20 30 DIEDMO CCCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000805791632 1051683857 /nfs/dbraw/zinc/68/38/57/1051683857.db2.gz LZQINPMGKKAXQN-OAHLLOKOSA-N 1 1 304.482 4.283 20 30 DIEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC001173326433 1051692685 /nfs/dbraw/zinc/69/26/85/1051692685.db2.gz HLSYXWAHYBSUGR-IVMQYODDSA-N 1 1 303.421 4.129 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC001173328023 1051694502 /nfs/dbraw/zinc/69/45/02/1051694502.db2.gz XVNPMGPSOYLVBP-CTWPCTMYSA-N 1 1 317.498 4.290 20 30 DIEDMO C=CCOC1CCC([N@H+](C)Cc2csc(C(C)C)n2)CC1 ZINC001173326652 1051694678 /nfs/dbraw/zinc/69/46/78/1051694678.db2.gz LYWMHWRIYILOPJ-UHFFFAOYSA-N 1 1 308.491 4.212 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(=O)O[C@H](C)C(C)(C)C#N)cc1)C(C)C ZINC000805901535 1051697442 /nfs/dbraw/zinc/69/74/42/1051697442.db2.gz OUDKZNSYULUQLB-OAHLLOKOSA-N 1 1 316.445 4.012 20 30 DIEDMO C[N@@H+](Cc1ccc(Br)cc1)C1CCC(CC#N)CC1 ZINC001173335342 1051697604 /nfs/dbraw/zinc/69/76/04/1051697604.db2.gz IKPYWOYWNUEJBB-UHFFFAOYSA-N 1 1 321.262 4.353 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173339341 1051698785 /nfs/dbraw/zinc/69/87/85/1051698785.db2.gz FVNYXIFXEDMORX-KVZIAJEVSA-N 1 1 312.457 4.442 20 30 DIEDMO N#CCC1CCC([N@H+]2CCC[C@H](OCc3ccccc3)C2)CC1 ZINC001173338015 1051698874 /nfs/dbraw/zinc/69/88/74/1051698874.db2.gz VIBCHOXUZRVIBO-UUKMXZOPSA-N 1 1 312.457 4.140 20 30 DIEDMO C=CC[C@H]1[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCC1(C)C ZINC001169843241 1051712072 /nfs/dbraw/zinc/71/20/72/1051712072.db2.gz AMKVZUILQFWSQY-QGZVFWFLSA-N 1 1 318.417 4.040 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)N(C)CC2CCCCC2)CCCC1(C)C ZINC001169845889 1051714001 /nfs/dbraw/zinc/71/40/01/1051714001.db2.gz YBQIBASAHKYARJ-GOSISDBHSA-N 1 1 320.521 4.092 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001169865051 1051721588 /nfs/dbraw/zinc/72/15/88/1051721588.db2.gz XFDBACITBSUHFZ-IUODEOHRSA-N 1 1 300.229 4.067 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC001169952431 1051733496 /nfs/dbraw/zinc/73/34/96/1051733496.db2.gz INCQREBVYQRDAN-UHFFFAOYSA-N 1 1 315.438 4.113 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(C(=O)OC)s1)Cc1ccccc1 ZINC001169952431 1051733509 /nfs/dbraw/zinc/73/35/09/1051733509.db2.gz INCQREBVYQRDAN-UHFFFAOYSA-N 1 1 315.438 4.113 20 30 DIEDMO CC(C)c1cccc2c1CC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001169952278 1051734145 /nfs/dbraw/zinc/73/41/45/1051734145.db2.gz CPHNGXQFACJMTD-UHFFFAOYSA-N 1 1 308.400 4.379 20 30 DIEDMO CC(C)c1cccc2c1CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001169952278 1051734159 /nfs/dbraw/zinc/73/41/59/1051734159.db2.gz CPHNGXQFACJMTD-UHFFFAOYSA-N 1 1 308.400 4.379 20 30 DIEDMO CC(C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC001173588708 1051755923 /nfs/dbraw/zinc/75/59/23/1051755923.db2.gz PNBRWKYBSIREBK-KOHRHEQBSA-N 1 1 322.493 4.195 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173653956 1051776592 /nfs/dbraw/zinc/77/65/92/1051776592.db2.gz PXLYZKZRPRUORE-RTBURBONSA-N 1 1 315.457 4.187 20 30 DIEDMO CSc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001173811629 1051790291 /nfs/dbraw/zinc/79/02/91/1051790291.db2.gz KMQFPQSJOVMYII-UHFFFAOYSA-N 1 1 315.467 4.073 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)cc1F ZINC000404148836 1051837178 /nfs/dbraw/zinc/83/71/78/1051837178.db2.gz QGQUGXKWRCKQFU-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO Cc1cc(O)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000767987533 1051870863 /nfs/dbraw/zinc/87/08/63/1051870863.db2.gz RGXPGPBWYBTWMG-UHFFFAOYSA-N 1 1 318.420 4.170 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000768162315 1051888857 /nfs/dbraw/zinc/88/88/57/1051888857.db2.gz AGKPNSXZMVPPTJ-MRXNPFEDSA-N 1 1 324.424 4.008 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000768153891 1051888893 /nfs/dbraw/zinc/88/88/93/1051888893.db2.gz OMHDDWSPDWUGPX-UHFFFAOYSA-N 1 1 323.440 4.032 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(OCc2ccccn2)c1 ZINC000768153891 1051888898 /nfs/dbraw/zinc/88/88/98/1051888898.db2.gz OMHDDWSPDWUGPX-UHFFFAOYSA-N 1 1 323.440 4.032 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)Cc2ccccc21 ZINC000768195065 1051900042 /nfs/dbraw/zinc/90/00/42/1051900042.db2.gz KJCCMYZYTTWPKB-KRWDZBQOSA-N 1 1 319.452 4.156 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)cc1 ZINC000768194836 1051901283 /nfs/dbraw/zinc/90/12/83/1051901283.db2.gz GDYQJESDNMDORH-JKSUJKDBSA-N 1 1 306.409 4.097 20 30 DIEDMO Cc1ccccc1C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000768252833 1051909266 /nfs/dbraw/zinc/90/92/66/1051909266.db2.gz SJOKXHSNFLHVDJ-KRWDZBQOSA-N 1 1 320.436 4.451 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000768258742 1051909550 /nfs/dbraw/zinc/90/95/50/1051909550.db2.gz WPWKDGQAWJEGIW-UHFFFAOYSA-N 1 1 312.800 4.082 20 30 DIEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001170527578 1051910592 /nfs/dbraw/zinc/91/05/92/1051910592.db2.gz KPMDHFCGDCMHJL-SFHVURJKSA-N 1 1 305.849 4.297 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1O ZINC000768335146 1051919064 /nfs/dbraw/zinc/91/90/64/1051919064.db2.gz WCTHPOSZPBKLPV-UHFFFAOYSA-N 1 1 314.816 4.328 20 30 DIEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)c(Br)c1 ZINC001137639021 1051933586 /nfs/dbraw/zinc/93/35/86/1051933586.db2.gz HDRMDTLUXBDVPY-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OCC)ccc1O ZINC000768483448 1051933885 /nfs/dbraw/zinc/93/38/85/1051933885.db2.gz IRBWPDYUBRKVBA-UHFFFAOYSA-N 1 1 324.424 4.075 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)o1 ZINC000768530780 1051941114 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C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000768852112 1051969390 /nfs/dbraw/zinc/96/93/90/1051969390.db2.gz VIALLOPNKNXYOI-ACZWYYKOSA-N 1 1 312.457 4.378 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)cc1 ZINC000768852561 1051969840 /nfs/dbraw/zinc/96/98/40/1051969840.db2.gz VIALLOPNKNXYOI-FIYPYCPBSA-N 1 1 312.457 4.378 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000768957266 1051988286 /nfs/dbraw/zinc/98/82/86/1051988286.db2.gz QVHSXVTZCNVKAA-QZTJIDSGSA-N 1 1 308.510 4.070 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000769006793 1051993066 /nfs/dbraw/zinc/99/30/66/1051993066.db2.gz IGDXBRZEPANTFG-HXUWFJFHSA-N 1 1 311.473 4.191 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106635 1051996571 /nfs/dbraw/zinc/99/65/71/1051996571.db2.gz VTVMJKDYVRULHW-FOIQADDNSA-N 1 1 322.408 4.020 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000192194789 1052004804 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DIEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769341452 1052028408 /nfs/dbraw/zinc/02/84/08/1052028408.db2.gz ZWCBKBPTECHRJO-ARFHVFGLSA-N 1 1 300.446 4.376 20 30 DIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403277 1052041346 /nfs/dbraw/zinc/04/13/46/1052041346.db2.gz BTLVCHJEWRKEDB-IMFGXOCKSA-N 1 1 311.473 4.189 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769427504 1052048469 /nfs/dbraw/zinc/04/84/69/1052048469.db2.gz MEXRGDIKYDBWPG-KKSFZXQISA-N 1 1 320.436 4.487 20 30 DIEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769452544 1052058756 /nfs/dbraw/zinc/05/87/56/1052058756.db2.gz XLOGFXIPPSLNIC-LPHOPBHVSA-N 1 1 300.446 4.380 20 30 DIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769466156 1052059936 /nfs/dbraw/zinc/05/99/36/1052059936.db2.gz IIPNYDAJJALVCO-BXWFABGCSA-N 1 1 300.446 4.378 20 30 DIEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769506267 1052070016 /nfs/dbraw/zinc/07/00/16/1052070016.db2.gz GHCWSMMMHUETDB-TXPKVOOTSA-N 1 1 300.446 4.378 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000769508560 1052072582 /nfs/dbraw/zinc/07/25/82/1052072582.db2.gz RQMJOPWDXUFJSX-HXUWFJFHSA-N 1 1 323.415 4.123 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000769544454 1052078906 /nfs/dbraw/zinc/07/89/06/1052078906.db2.gz LAHKIYOKLVPBTQ-OAHLLOKOSA-N 1 1 306.409 4.183 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000769544454 1052078913 /nfs/dbraw/zinc/07/89/13/1052078913.db2.gz LAHKIYOKLVPBTQ-OAHLLOKOSA-N 1 1 306.409 4.183 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000769550053 1052081341 /nfs/dbraw/zinc/08/13/41/1052081341.db2.gz YPLMBZTWHLEXPW-NHCUHLMSSA-N 1 1 319.452 4.024 20 30 DIEDMO Cc1csc(C2([NH2+]CC#Cc3cccc(Cl)c3)CCC2)n1 ZINC000494795026 1052099333 /nfs/dbraw/zinc/09/93/33/1052099333.db2.gz NIIOHZISJRUTOD-UHFFFAOYSA-N 1 1 316.857 4.125 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000769748097 1052106459 /nfs/dbraw/zinc/10/64/59/1052106459.db2.gz WOISYBUOFMLNPX-MOPGFXCFSA-N 1 1 314.473 4.295 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nnc(-c2ccc(C)c(F)c2)o1 ZINC001217695000 1052117387 /nfs/dbraw/zinc/11/73/87/1052117387.db2.gz HCNMNQPJALXFJU-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CC[N@@H+](Cc1nc(Br)cs1)C1CCCCC1 ZINC001137783065 1052121239 /nfs/dbraw/zinc/12/12/39/1052121239.db2.gz FTVNURWKIMTOAZ-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C=CC[N@H+](Cc1nc(Br)cs1)C1CCCCC1 ZINC001137783065 1052121245 /nfs/dbraw/zinc/12/12/45/1052121245.db2.gz FTVNURWKIMTOAZ-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952214 1052128521 /nfs/dbraw/zinc/12/85/21/1052128521.db2.gz DLDLHWGABLDLKF-HUUCEWRRSA-N 1 1 324.399 4.236 20 30 DIEDMO Cc1cccc([C@H](C)[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761762973 1052159961 /nfs/dbraw/zinc/15/99/61/1052159961.db2.gz YQEVIPILAIBHQP-OXJNMPFZSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1cccc([C@H](C)[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000761762973 1052159972 /nfs/dbraw/zinc/15/99/72/1052159972.db2.gz YQEVIPILAIBHQP-OXJNMPFZSA-N 1 1 306.409 4.001 20 30 DIEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000494929642 1052172447 /nfs/dbraw/zinc/17/24/47/1052172447.db2.gz JJSIGNLDJLSWIF-UHFFFAOYSA-N 1 1 323.362 4.494 20 30 DIEDMO Cc1[nH+]c(C=NNc2ccccc2C(F)(F)F)c2ccccn12 ZINC000914601528 1052185777 /nfs/dbraw/zinc/18/57/77/1052185777.db2.gz VLJVYCCYGCTWAJ-UHFFFAOYSA-N 1 1 318.302 4.108 20 30 DIEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNc2ccccc2)c1C ZINC000914690246 1052217035 /nfs/dbraw/zinc/21/70/35/1052217035.db2.gz OISRZTDVIRYSAB-FQEVSTJZSA-N 1 1 324.472 4.035 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C(C)(C)C)s1 ZINC000495217119 1052257958 /nfs/dbraw/zinc/25/79/58/1052257958.db2.gz HYTYHGQMLGDCHC-UHFFFAOYSA-N 1 1 304.459 4.264 20 30 DIEDMO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000761885451 1052266806 /nfs/dbraw/zinc/26/68/06/1052266806.db2.gz DBWMNZOIEFSNEK-UHFFFAOYSA-N 1 1 308.425 4.390 20 30 DIEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(-c2ccccc2C#N)cc1 ZINC000495255350 1052273208 /nfs/dbraw/zinc/27/32/08/1052273208.db2.gz YULMTYYLIXEKIQ-OAHLLOKOSA-N 1 1 317.392 4.096 20 30 DIEDMO Cc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC000487897399 1052320864 /nfs/dbraw/zinc/32/08/64/1052320864.db2.gz MRAIVORLEZZCJO-LJQANCHMSA-N 1 1 308.450 4.157 20 30 DIEDMO Cc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)ccc1C#N ZINC000487897398 1052321402 /nfs/dbraw/zinc/32/14/02/1052321402.db2.gz MRAIVORLEZZCJO-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421923 1052343202 /nfs/dbraw/zinc/34/32/02/1052343202.db2.gz WNEIFARQINTUSU-IHPCNDPISA-N 1 1 300.490 4.231 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495421923 1052343210 /nfs/dbraw/zinc/34/32/10/1052343210.db2.gz WNEIFARQINTUSU-IHPCNDPISA-N 1 1 300.490 4.231 20 30 DIEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000487963496 1052400878 /nfs/dbraw/zinc/40/08/78/1052400878.db2.gz LZIUEDBWGGHFCV-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000487963496 1052400882 /nfs/dbraw/zinc/40/08/82/1052400882.db2.gz LZIUEDBWGGHFCV-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000762791863 1052423743 /nfs/dbraw/zinc/42/37/43/1052423743.db2.gz YVMOFDNNNFSVMA-QGZVFWFLSA-N 1 1 312.388 4.187 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000236690112 1052428756 /nfs/dbraw/zinc/42/87/56/1052428756.db2.gz DOVJUFBUYCXKTM-UHFFFAOYSA-N 1 1 313.272 4.124 20 30 DIEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccc1C ZINC000153736588 1052479403 /nfs/dbraw/zinc/47/94/03/1052479403.db2.gz MEQZQQHPZITTOS-QGZVFWFLSA-N 1 1 308.425 4.308 20 30 DIEDMO C=CCn1cc(-c2ccc([C@H]3CCCC[N@@H+]3CCC)cn2)cn1 ZINC001222382774 1052493919 /nfs/dbraw/zinc/49/39/19/1052493919.db2.gz 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ZINC000763409898 1052624753 /nfs/dbraw/zinc/62/47/53/1052624753.db2.gz VFYCWUYEKQCQMH-UXHICEINSA-N 1 1 308.425 4.065 20 30 DIEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000763412503 1052625790 /nfs/dbraw/zinc/62/57/90/1052625790.db2.gz YHBMCKKYFJCLTF-NHCUHLMSSA-N 1 1 320.436 4.127 20 30 DIEDMO N#C[C@@H](O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711204 1052628850 /nfs/dbraw/zinc/62/88/50/1052628850.db2.gz OKNXLXIMKBBZGZ-UYAOXDASSA-N 1 1 324.399 4.072 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](OCCC)CC2)c1 ZINC000124020629 1052636377 /nfs/dbraw/zinc/63/63/77/1052636377.db2.gz BZVCDTLNQNARLD-GOSISDBHSA-N 1 1 303.446 4.033 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000125488891 1052649094 /nfs/dbraw/zinc/64/90/94/1052649094.db2.gz VNEGZIQQSGMAHK-MRXNPFEDSA-N 1 1 304.846 4.063 20 30 DIEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000917007066 1052679213 /nfs/dbraw/zinc/67/92/13/1052679213.db2.gz XGYCMFJJMPPAAY-FQEVSTJZSA-N 1 1 320.436 4.034 20 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ZINC000609280894 1052806262 /nfs/dbraw/zinc/80/62/62/1052806262.db2.gz UORIDMMCWCKWAJ-LJQANCHMSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000609280894 1052806268 /nfs/dbraw/zinc/80/62/68/1052806268.db2.gz UORIDMMCWCKWAJ-LJQANCHMSA-N 1 1 324.399 4.433 20 30 DIEDMO Cc1ccc(C)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1C ZINC001225802986 1052833162 /nfs/dbraw/zinc/83/31/62/1052833162.db2.gz FMEFPWNLRUNBNQ-HXUWFJFHSA-N 1 1 320.436 4.137 20 30 DIEDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973203 1052877557 /nfs/dbraw/zinc/87/75/57/1052877557.db2.gz OSHLBOBGOUITBT-OAHLLOKOSA-N 1 1 324.424 4.077 20 30 DIEDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000194973186 1052877718 /nfs/dbraw/zinc/87/77/18/1052877718.db2.gz OSHLBOBGOUITBT-HNNXBMFYSA-N 1 1 324.424 4.077 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000194965172 1052878135 /nfs/dbraw/zinc/87/81/35/1052878135.db2.gz UURWUAOFQJUQOC-UHFFFAOYSA-N 1 1 319.433 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OBXDTEXHRANACF-UHFFFAOYSA-N 1 1 320.436 4.226 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@H](C)c1ccc(C#N)cc1)CC3 ZINC000609823455 1052994423 /nfs/dbraw/zinc/99/44/23/1052994423.db2.gz GXJOIKOHNPKCBU-OAHLLOKOSA-N 1 1 315.420 4.467 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@H](C)c1ccc(C#N)cc1)CC3 ZINC000609823455 1052994424 /nfs/dbraw/zinc/99/44/24/1052994424.db2.gz GXJOIKOHNPKCBU-OAHLLOKOSA-N 1 1 315.420 4.467 20 30 DIEDMO Cc1cc(C)c(C)c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001227505473 1052996599 /nfs/dbraw/zinc/99/65/99/1052996599.db2.gz FDCNISXCYPIEEM-HXUWFJFHSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001812 1053002301 /nfs/dbraw/zinc/00/23/01/1053002301.db2.gz BQMBZWBCXOQPLB-MAUKXSAKSA-N 1 1 308.400 4.384 20 30 DIEDMO Cc1cc(C#N)cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001227839244 1053020433 /nfs/dbraw/zinc/02/04/33/1053020433.db2.gz XHBMZWORACRCME-DYESRHJHSA-N 1 1 320.436 4.156 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000179907843 1053034731 /nfs/dbraw/zinc/03/47/31/1053034731.db2.gz WKICIEGUGCDRRZ-OAQYLSRUSA-N 1 1 319.452 4.156 20 30 DIEDMO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000616089247 1053044981 /nfs/dbraw/zinc/04/49/81/1053044981.db2.gz LWCFYFXMSYSGHP-UHFFFAOYSA-N 1 1 302.780 4.203 20 30 DIEDMO CC(C)c1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001228282100 1053064587 /nfs/dbraw/zinc/06/45/87/1053064587.db2.gz UWKPXAQNZIEGHY-IBGZPJMESA-N 1 1 320.436 4.335 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228499875 1053120615 /nfs/dbraw/zinc/12/06/15/1053120615.db2.gz ZORNDDJFFYFUCL-RDPWEWGOSA-N 1 1 321.420 4.056 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228499862 1053121367 /nfs/dbraw/zinc/12/13/67/1053121367.db2.gz ZORNDDJFFYFUCL-IXDOJHRFSA-N 1 1 321.420 4.056 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001317701327 1053126839 /nfs/dbraw/zinc/12/68/39/1053126839.db2.gz JKUAOLFOPUFZQX-SJORKVTESA-N 1 1 315.457 4.141 20 30 DIEDMO C=CC[C@H](C=C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545928 1053130633 /nfs/dbraw/zinc/13/06/33/1053130633.db2.gz PUWKPRWVZPVMGD-ZDUSSCGKSA-N 1 1 310.235 4.020 20 30 DIEDMO C=CCC(CC=C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228549098 1053132291 /nfs/dbraw/zinc/13/22/91/1053132291.db2.gz QBZQLMYHVRIRPO-UHFFFAOYSA-N 1 1 324.262 4.410 20 30 DIEDMO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC001318635190 1053179102 /nfs/dbraw/zinc/17/91/02/1053179102.db2.gz SGTWIZLIOVEDKA-HNNXBMFYSA-N 1 1 306.409 4.076 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCCSCC#N)cc1 ZINC000080629402 1053198404 /nfs/dbraw/zinc/19/84/04/1053198404.db2.gz OSPZTIULRDMNTI-ROUUACIJSA-N 1 1 302.487 4.210 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945346 1053211588 /nfs/dbraw/zinc/21/15/88/1053211588.db2.gz UHFRYDOYLAAIPZ-MRXNPFEDSA-N 1 1 323.436 4.379 20 30 DIEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241103 1053230136 /nfs/dbraw/zinc/23/01/36/1053230136.db2.gz WJHQVWFEDVQFOE-HZPDHXFCSA-N 1 1 302.487 4.204 20 30 DIEDMO Cc1cccc(C#N)c1O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001229180657 1053269506 /nfs/dbraw/zinc/26/95/06/1053269506.db2.gz AJVLMOWGNHLVKF-FXAWDEMLSA-N 1 1 320.436 4.156 20 30 DIEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC001319829508 1053278665 /nfs/dbraw/zinc/27/86/65/1053278665.db2.gz YDXVFWJSHBCFCH-WMZOPIPTSA-N 1 1 318.486 4.085 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001127650217 1053285277 /nfs/dbraw/zinc/28/52/77/1053285277.db2.gz XUXIYPUWBMLAEH-HNNXBMFYSA-N 1 1 305.466 4.473 20 30 DIEDMO C=CCc1ccc(O)c(O[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001229338868 1053301068 /nfs/dbraw/zinc/30/10/68/1053301068.db2.gz OWNWPGMUJWRJIQ-KKSFZXQISA-N 1 1 323.436 4.020 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229354850 1053304731 /nfs/dbraw/zinc/30/47/31/1053304731.db2.gz ZYFCTHHVMOGSIN-IOVUBPJKSA-N 1 1 312.388 4.049 20 30 DIEDMO CC(C)[NH+]1CC(Oc2ccccc2C=Nc2ccc(F)cc2)C1 ZINC001229374401 1053308498 /nfs/dbraw/zinc/30/84/98/1053308498.db2.gz KYDQHPPWZHFIDL-UHFFFAOYSA-N 1 1 312.388 4.048 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Br ZINC001236860340 1053312475 /nfs/dbraw/zinc/31/24/75/1053312475.db2.gz HCOWJUBYTPJORF-CZUORRHYSA-N 1 1 319.246 4.085 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+]([C@H](CC)c2ccc(Br)cc2)C1 ZINC001320320876 1053325497 /nfs/dbraw/zinc/32/54/97/1053325497.db2.gz KHINYDUIYITYKN-HZPDHXFCSA-N 1 1 324.262 4.177 20 30 DIEDMO C=CCOc1ccccc1O[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001229611912 1053364005 /nfs/dbraw/zinc/36/40/05/1053364005.db2.gz OFMFKNXWHVMSCM-KRWDZBQOSA-N 1 1 324.424 4.003 20 30 DIEDMO CCCCCCCCCCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001545872940 1053370581 /nfs/dbraw/zinc/37/05/81/1053370581.db2.gz BWALLLDPDMDGIQ-ROUUACIJSA-N 1 1 310.526 4.458 20 30 DIEDMO CC(C)c1nc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618804153 1053371582 /nfs/dbraw/zinc/37/15/82/1053371582.db2.gz JZETTXTVZMOBPW-MLGOLLRUSA-N 1 1 311.454 4.476 20 30 DIEDMO C=CCCC[N@H+](C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093533536 1053421470 /nfs/dbraw/zinc/42/14/70/1053421470.db2.gz HHFNKZIIQRHWAX-UHFFFAOYSA-N 1 1 317.414 4.116 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]1 ZINC000619071337 1053426433 /nfs/dbraw/zinc/42/64/33/1053426433.db2.gz UUWZEOHRABIXGF-PZJWPPBQSA-N 1 1 315.420 4.440 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]1 ZINC000619071337 1053426446 /nfs/dbraw/zinc/42/64/46/1053426446.db2.gz UUWZEOHRABIXGF-PZJWPPBQSA-N 1 1 315.420 4.440 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)CC1 ZINC001229932131 1053435268 /nfs/dbraw/zinc/43/52/68/1053435268.db2.gz AGVSLOJMWIJWMJ-WNSCPLKPSA-N 1 1 324.424 4.006 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000619620474 1053520611 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C(=N/c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cc1)\c1ccccc1 ZINC001231202593 1053701826 /nfs/dbraw/zinc/70/18/26/1053701826.db2.gz MAANQNUKXWVSJV-VZMFNRANSA-N 1 1 317.392 4.028 20 30 DIEDMO CC(C)(C)[NH+]1CC(Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231201156 1053702158 /nfs/dbraw/zinc/70/21/58/1053702158.db2.gz ZILSGRFIEGGPNX-FYJGNVAPSA-N 1 1 308.425 4.299 20 30 DIEDMO C=CC[N@@H+](Cc1c(C(F)(F)F)nc2sccn12)C(C)(C)C ZINC001231439235 1053753939 /nfs/dbraw/zinc/75/39/39/1053753939.db2.gz YUYJNHHMIMXSFU-UHFFFAOYSA-N 1 1 317.380 4.201 20 30 DIEDMO CN(C)c1ccc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2c1 ZINC001231442552 1053754970 /nfs/dbraw/zinc/75/49/70/1053754970.db2.gz RAGYCQQIXYHICQ-MRXNPFEDSA-N 1 1 307.441 4.031 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000155060833 1053760153 /nfs/dbraw/zinc/76/01/53/1053760153.db2.gz QBGJQZKEZBFIRS-HXUWFJFHSA-N 1 1 320.436 4.359 20 30 DIEDMO Cn1c2ccccc2c(C[N@H+](C)CCC#N)c1-c1ccccc1 ZINC001231570502 1053786266 /nfs/dbraw/zinc/78/62/66/1053786266.db2.gz 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Cc1cc(F)cc(Cl)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001238783829 1055750375 /nfs/dbraw/zinc/75/03/75/1055750375.db2.gz BPGRKNPAEHBGFK-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1cc(F)cc(Cl)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238783829 1055750387 /nfs/dbraw/zinc/75/03/87/1055750387.db2.gz BPGRKNPAEHBGFK-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO CCc1cc(C[N@@H+](C)[C@@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779052 1055751240 /nfs/dbraw/zinc/75/12/40/1055751240.db2.gz SVTAULXIOZGVES-HNNXBMFYSA-N 1 1 308.425 4.322 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001566282124 1055757598 /nfs/dbraw/zinc/75/75/98/1055757598.db2.gz JFXPDBYKNRKYSI-MOPGFXCFSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001566295976 1055759801 /nfs/dbraw/zinc/75/98/01/1055759801.db2.gz YYQZBNGZWGETTD-QZTJIDSGSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001566428955 1055772944 /nfs/dbraw/zinc/77/29/44/1055772944.db2.gz OWXZASXBMOSGGR-KAUXGEHWSA-N 1 1 308.510 4.236 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(C(F)F)c2)cc1 ZINC001238869538 1055773401 /nfs/dbraw/zinc/77/34/01/1055773401.db2.gz LRVDUISXLYWJJK-INIZCTEOSA-N 1 1 303.356 4.268 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001566990377 1055788719 /nfs/dbraw/zinc/78/87/19/1055788719.db2.gz XVTFYOVZVXWBRX-OKZBNKHCSA-N 1 1 310.526 4.314 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC001539708591 1055889279 /nfs/dbraw/zinc/88/92/79/1055889279.db2.gz PCLNVBAJQPMMAY-INIZCTEOSA-N 1 1 319.493 4.222 20 30 DIEDMO CCCCCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001587871104 1055922316 /nfs/dbraw/zinc/92/23/16/1055922316.db2.gz GBRNDLWLKBCXKK-MRXNPFEDSA-N 1 1 310.869 4.029 20 30 DIEDMO C[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645449 1055927268 /nfs/dbraw/zinc/92/72/68/1055927268.db2.gz YZOQHVPBYCJISK-KBPBESRZSA-N 1 1 311.347 4.057 20 30 DIEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001615645452 1055928506 /nfs/dbraw/zinc/92/85/06/1055928506.db2.gz YZOQHVPBYCJISK-ZIAGYGMSSA-N 1 1 311.347 4.057 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001598296503 1055934765 /nfs/dbraw/zinc/93/47/65/1055934765.db2.gz FYAQNUVCEANENG-VHTZEAEFSA-N 1 1 320.521 4.093 20 30 DIEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001620647277 1055976815 /nfs/dbraw/zinc/97/68/15/1055976815.db2.gz JRYPSMYCDMXOCA-OAHLLOKOSA-N 1 1 302.245 4.315 20 30 DIEDMO C=CCCC(C)(C)[NH2+]Cc1cc(C)cc(Br)c1O ZINC001621015547 1055982231 /nfs/dbraw/zinc/98/22/31/1055982231.db2.gz CHZNSOPFBDOTCP-UHFFFAOYSA-N 1 1 312.251 4.298 20 30 DIEDMO C[C@H]1CC[C@@H](Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1 ZINC001621341515 1056050556 /nfs/dbraw/zinc/05/05/56/1056050556.db2.gz QHBBWTYUOIXZPG-LAUBAEHRSA-N 1 1 319.452 4.218 20 30 DIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812470 1056155694 /nfs/dbraw/zinc/15/56/94/1056155694.db2.gz BCFUWWVMOWMJEQ-KBXCAEBGSA-N 1 1 308.429 4.064 20 30 DIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812473 1056155718 /nfs/dbraw/zinc/15/57/18/1056155718.db2.gz BCFUWWVMOWMJEQ-RDTXWAMCSA-N 1 1 308.429 4.064 20 30 DIEDMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016379885 1056174190 /nfs/dbraw/zinc/17/41/90/1056174190.db2.gz WVIVVBJONIWMRA-OAQYLSRUSA-N 1 1 323.436 4.227 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCOC1 ZINC000107687240 1056305241 /nfs/dbraw/zinc/30/52/41/1056305241.db2.gz VDAATURFCINBRE-GOSISDBHSA-N 1 1 320.436 4.084 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001584351623 1056323547 /nfs/dbraw/zinc/32/35/47/1056323547.db2.gz XJKAVWZFDVYKKV-SJORKVTESA-N 1 1 310.526 4.362 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240145307 1056353055 /nfs/dbraw/zinc/35/30/55/1056353055.db2.gz CEHUIUFTYQAQFW-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000303703356 1056403061 /nfs/dbraw/zinc/40/30/61/1056403061.db2.gz BJASOHREXVNNOQ-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001584827611 1056429064 /nfs/dbraw/zinc/42/90/64/1056429064.db2.gz KOLVUIHWOVCNEU-UHFFFAOYSA-N 1 1 320.521 4.236 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC001168656670 1056445797 /nfs/dbraw/zinc/44/57/97/1056445797.db2.gz GNPXXFCYAZHZNZ-GOSISDBHSA-N 1 1 321.380 4.264 20 30 DIEDMO N#Cc1cc2[nH]ccc2c(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240387005 1056469406 /nfs/dbraw/zinc/46/94/06/1056469406.db2.gz KUCANIGUJHYPTE-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO CCC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC001615170059 1056469578 /nfs/dbraw/zinc/46/95/78/1056469578.db2.gz WBPROCVUSYZYQM-YLJYHZDGSA-N 1 1 314.473 4.366 20 30 DIEDMO CO/N=C/c1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001240388649 1056471265 /nfs/dbraw/zinc/47/12/65/1056471265.db2.gz JHCDSKVNFVMALF-LPYMAVHISA-N 1 1 324.399 4.095 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001615229579 1056479938 /nfs/dbraw/zinc/47/99/38/1056479938.db2.gz KXDUQCKZICKXNN-CVEARBPZSA-N 1 1 314.256 4.240 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](c2ccccc2)O1 ZINC001615245449 1056481923 /nfs/dbraw/zinc/48/19/23/1056481923.db2.gz IKRFMKVSZZVXMC-MJGOQNOKSA-N 1 1 312.457 4.313 20 30 DIEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC001615239551 1056483093 /nfs/dbraw/zinc/48/30/93/1056483093.db2.gz FPMFHJVFDVPJAC-SFHVURJKSA-N 1 1 311.510 4.397 20 30 DIEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)c1 ZINC001615252275 1056483867 /nfs/dbraw/zinc/48/38/67/1056483867.db2.gz XYBTYXKLCWOEBZ-OAQYLSRUSA-N 1 1 313.404 4.444 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615265766 1056484100 /nfs/dbraw/zinc/48/41/00/1056484100.db2.gz WWHYHRAHWUGSSI-AZUAARDMSA-N 1 1 309.453 4.101 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CCCC12CCOCC2)[C@@H]1CCc2ccccc21 ZINC001615272072 1056485105 /nfs/dbraw/zinc/48/51/05/1056485105.db2.gz HVWBXFMBJVCMRX-PZJWPPBQSA-N 1 1 323.480 4.206 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCc2ccccc21 ZINC001615265768 1056485330 /nfs/dbraw/zinc/48/53/30/1056485330.db2.gz WWHYHRAHWUGSSI-ICSRJNTNSA-N 1 1 309.453 4.101 20 30 DIEDMO C#CC[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC001615272306 1056487269 /nfs/dbraw/zinc/48/72/69/1056487269.db2.gz LVTZKDMSNCWWIY-HXUWFJFHSA-N 1 1 306.453 4.473 20 30 DIEDMO CCCCCCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC001615280471 1056487640 /nfs/dbraw/zinc/48/76/40/1056487640.db2.gz SXQIXNBEHNGWMH-UHFFFAOYSA-N 1 1 309.523 4.406 20 30 DIEDMO CCC#C[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC001615391431 1056500805 /nfs/dbraw/zinc/50/08/05/1056500805.db2.gz BLXXTGUQRLWFNT-GFCCVEGCSA-N 1 1 312.226 4.212 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC001615313398 1056491481 /nfs/dbraw/zinc/49/14/81/1056491481.db2.gz AVVNZPMLQJAARJ-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC001615332029 1056494482 /nfs/dbraw/zinc/49/44/82/1056494482.db2.gz GQDKOBSZTOZMAU-IBGZPJMESA-N 1 1 312.457 4.260 20 30 DIEDMO C#CC[N@H+](CCOc1ccc(Cl)c(F)c1)C1CCCCC1 ZINC001615367477 1056499355 /nfs/dbraw/zinc/49/93/55/1056499355.db2.gz XJNUYOFDXDEEDL-UHFFFAOYSA-N 1 1 309.812 4.126 20 30 DIEDMO CCC#C[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1F ZINC001615391431 1056500789 /nfs/dbraw/zinc/50/07/89/1056500789.db2.gz BLXXTGUQRLWFNT-GFCCVEGCSA-N 1 1 312.226 4.212 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC001615406113 1056504873 /nfs/dbraw/zinc/50/48/73/1056504873.db2.gz RTLPYEHENKGFHE-QGZVFWFLSA-N 1 1 301.430 4.341 20 30 DIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001615481148 1056516203 /nfs/dbraw/zinc/51/62/03/1056516203.db2.gz IBYPXRCYZXLHBC-OAQYLSRUSA-N 1 1 304.437 4.306 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCCC1 ZINC001615506297 1056522962 /nfs/dbraw/zinc/52/29/62/1056522962.db2.gz YKWGCCQYWSXJJP-UHFFFAOYSA-N 1 1 318.436 4.223 20 30 DIEDMO C=CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CC1CCCCC1 ZINC001615506127 1056523830 /nfs/dbraw/zinc/52/38/30/1056523830.db2.gz WDCFEEMTYXFPTO-LJQANCHMSA-N 1 1 321.892 4.312 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001615507340 1056524363 /nfs/dbraw/zinc/52/43/63/1056524363.db2.gz AEVQIYGZRBZDPG-OAHLLOKOSA-N 1 1 312.844 4.317 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OCC2CC2)c1 ZINC000921831628 1056526557 /nfs/dbraw/zinc/52/65/57/1056526557.db2.gz YSBXQFFCBHCRBR-UHFFFAOYSA-N 1 1 312.438 4.007 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001615578452 1056540603 /nfs/dbraw/zinc/54/06/03/1056540603.db2.gz SXPTZUSNWOFGHI-CVEARBPZSA-N 1 1 306.475 4.035 20 30 DIEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001615583415 1056541032 /nfs/dbraw/zinc/54/10/32/1056541032.db2.gz KOEAIIJPFRCDNK-MRXNPFEDSA-N 1 1 315.417 4.257 20 30 DIEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC001615826524 1056582663 /nfs/dbraw/zinc/58/26/63/1056582663.db2.gz RSIOYKQKGCRGTK-NVXWUHKLSA-N 1 1 308.400 4.150 20 30 DIEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001615989131 1056603952 /nfs/dbraw/zinc/60/39/52/1056603952.db2.gz XBCBYRWZWYOGTA-LPHOPBHVSA-N 1 1 300.446 4.228 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(CC)CC ZINC001615999675 1056606096 /nfs/dbraw/zinc/60/60/96/1056606096.db2.gz TURRKPOXXJSTEV-RBUKOAKNSA-N 1 1 314.473 4.016 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOc2ccccc2[C@H]1C ZINC001616042600 1056607282 /nfs/dbraw/zinc/60/72/82/1056607282.db2.gz KOAYDPNZTOMFFW-MRXNPFEDSA-N 1 1 306.409 4.131 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(O)c(OC)c2)cc1 ZINC001240619630 1056617445 /nfs/dbraw/zinc/61/74/45/1056617445.db2.gz RBAFLIBRGGNSGD-SFHVURJKSA-N 1 1 309.409 4.391 20 30 DIEDMO C=C(C)CN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001616321971 1056632949 /nfs/dbraw/zinc/63/29/49/1056632949.db2.gz KBHXFMYHFRKQNP-UHFFFAOYSA-N 1 1 308.469 4.197 20 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/nfs/dbraw/zinc/72/10/91/1056721091.db2.gz NIFYCDBENKKULX-ZETCQYMHSA-N 1 1 315.232 4.071 20 30 DIEDMO Fc1cc(C(F)(F)F)c(F)cc1C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000672552024 1056721101 /nfs/dbraw/zinc/72/11/01/1056721101.db2.gz NIFYCDBENKKULX-ZETCQYMHSA-N 1 1 315.232 4.071 20 30 DIEDMO C=C(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC001240834344 1056723127 /nfs/dbraw/zinc/72/31/27/1056723127.db2.gz SJQYLDJQHCZTEC-UHFFFAOYSA-N 1 1 309.438 4.453 20 30 DIEDMO C[C@@H](C#N)C[N@H+](CCCOc1cccc(C(C)(C)C)c1)C1CC1 ZINC001616880622 1056732369 /nfs/dbraw/zinc/73/23/69/1056732369.db2.gz LNXOTTAQCFWOKI-INIZCTEOSA-N 1 1 314.473 4.377 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)C1CC1 ZINC001616880622 1056732375 /nfs/dbraw/zinc/73/23/75/1056732375.db2.gz LNXOTTAQCFWOKI-INIZCTEOSA-N 1 1 314.473 4.377 20 30 DIEDMO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920346 1056740747 /nfs/dbraw/zinc/74/07/47/1056740747.db2.gz AHSVCKLNSDYCCG-CRAIPNDOSA-N 1 1 300.446 4.004 20 30 DIEDMO C=CC[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1Cl ZINC001617182698 1056789809 /nfs/dbraw/zinc/78/98/09/1056789809.db2.gz MBOQGFLLELESCX-JTQLQIEISA-N 1 1 302.643 4.499 20 30 DIEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC001617345914 1056816672 /nfs/dbraw/zinc/81/66/72/1056816672.db2.gz VRDCZMKKGFDORJ-NJYVYQBISA-N 1 1 317.436 4.111 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)OC)c(F)c2)CCCC1(C)C ZINC001617604929 1056856373 /nfs/dbraw/zinc/85/63/73/1056856373.db2.gz ZFWLKVAWFLVCCA-KRWDZBQOSA-N 1 1 319.420 4.179 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC001617627614 1056860472 /nfs/dbraw/zinc/86/04/72/1056860472.db2.gz IEDFLKWVFHYCSA-HAGHYFMRSA-N 1 1 305.506 4.222 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC001617620368 1056860761 /nfs/dbraw/zinc/86/07/61/1056860761.db2.gz DWXCDHYNAODJCK-KRWDZBQOSA-N 1 1 308.425 4.209 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC001617741965 1056876681 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C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000315681299 1056969507 /nfs/dbraw/zinc/96/95/07/1056969507.db2.gz ZYBNDQIJJJLWDY-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC001168712102 1056971019 /nfs/dbraw/zinc/97/10/19/1056971019.db2.gz ITSCUCPGTCEYPM-UHFFFAOYSA-N 1 1 302.849 4.408 20 30 DIEDMO CC1(C)C[C@@H]([NH2+]Cc2csc(C#N)c2)c2cc(F)ccc2O1 ZINC000922217384 1056979983 /nfs/dbraw/zinc/97/99/83/1056979983.db2.gz LDISTWZRESLTNS-OAHLLOKOSA-N 1 1 316.401 4.151 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168717212 1056990139 /nfs/dbraw/zinc/99/01/39/1056990139.db2.gz GVQIZFWMIYROOS-QGZVFWFLSA-N 1 1 310.828 4.223 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168717212 1056990146 /nfs/dbraw/zinc/99/01/46/1056990146.db2.gz GVQIZFWMIYROOS-QGZVFWFLSA-N 1 1 310.828 4.223 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168717208 1056990372 /nfs/dbraw/zinc/99/03/72/1056990372.db2.gz GVQIZFWMIYROOS-KRWDZBQOSA-N 1 1 310.828 4.223 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168717208 1056990380 /nfs/dbraw/zinc/99/03/80/1056990380.db2.gz GVQIZFWMIYROOS-KRWDZBQOSA-N 1 1 310.828 4.223 20 30 DIEDMO CC(C)([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2s1 ZINC000922284062 1056997334 /nfs/dbraw/zinc/99/73/34/1056997334.db2.gz GXMSKDPFKAHBNQ-UHFFFAOYSA-N 1 1 313.451 4.254 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(C)cnc2OC)cc1 ZINC001241367296 1057029052 /nfs/dbraw/zinc/02/90/52/1057029052.db2.gz JLKQXOSTXCOORL-IBGZPJMESA-N 1 1 308.425 4.389 20 30 DIEDMO CC[N@@H+](Cc1cn2c(cccc2C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000125753713 1057079075 /nfs/dbraw/zinc/07/90/75/1057079075.db2.gz UHGIDNXLOQICKU-MRXNPFEDSA-N 1 1 318.424 4.098 20 30 DIEDMO N#CCc1cc(F)cc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241507815 1057079217 /nfs/dbraw/zinc/07/92/17/1057079217.db2.gz PWATVKPCUHADQS-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2CCC2CCCCC2)CCC1 ZINC001307584137 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COc1ccc([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000246425955 1057370826 /nfs/dbraw/zinc/37/08/26/1057370826.db2.gz SGHOWRDPHDWRJH-DNVCBOLYSA-N 1 1 306.409 4.117 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(C(F)(F)F)c2)cc1 ZINC001242466099 1057374445 /nfs/dbraw/zinc/37/44/45/1057374445.db2.gz UOMJNAWQUGKKCG-MRXNPFEDSA-N 1 1 321.346 4.349 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2C)nc1 ZINC001242473596 1057376515 /nfs/dbraw/zinc/37/65/15/1057376515.db2.gz DJNSYOJJOIDSJZ-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3C)c(C)c2)CC1 ZINC001242472155 1057376536 /nfs/dbraw/zinc/37/65/36/1057376536.db2.gz MTBWXDOJKNPVAR-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246573522 1057377152 /nfs/dbraw/zinc/37/71/52/1057377152.db2.gz FBFWRDSYJHRTJH-SXGZJXTBSA-N 1 1 324.399 4.220 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246573522 1057377156 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C[C@H](CC#N)[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268536 1057586938 /nfs/dbraw/zinc/58/69/38/1057586938.db2.gz HHSBSDISXNHEEW-QGZVFWFLSA-N 1 1 317.436 4.424 20 30 DIEDMO C[C@H](CC#N)[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268536 1057586943 /nfs/dbraw/zinc/58/69/43/1057586943.db2.gz HHSBSDISXNHEEW-QGZVFWFLSA-N 1 1 317.436 4.424 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1F ZINC000611266396 1057587312 /nfs/dbraw/zinc/58/73/12/1057587312.db2.gz RYYGWAGCHQJHOX-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1F ZINC000611266396 1057587314 /nfs/dbraw/zinc/58/73/14/1057587314.db2.gz RYYGWAGCHQJHOX-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cs2)o1 ZINC000611387698 1057594026 /nfs/dbraw/zinc/59/40/26/1057594026.db2.gz FGKLGLGHBCGSNL-ZDUSSCGKSA-N 1 1 323.421 4.434 20 30 DIEDMO CC[N@H+](Cc1nc2c(s1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000611410618 1057598269 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C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CCO)cc2)cc1 ZINC001243852017 1057793041 /nfs/dbraw/zinc/79/30/41/1057793041.db2.gz OJXQGWUSWFJNTK-NRFANRHFSA-N 1 1 307.437 4.211 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(OCC#N)cc1 ZINC000733610624 1057827043 /nfs/dbraw/zinc/82/70/43/1057827043.db2.gz MTVWBLAJYVQLOG-UHFFFAOYSA-N 1 1 308.425 4.310 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244084720 1057864080 /nfs/dbraw/zinc/86/40/80/1057864080.db2.gz LDQKCHWGFDIINJ-FQEVSTJZSA-N 1 1 320.440 4.139 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(OC)c2)cc1 ZINC001244675710 1058024475 /nfs/dbraw/zinc/02/44/75/1058024475.db2.gz OJEFSOCCJZALHY-FQEVSTJZSA-N 1 1 323.436 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)c(N)c2)cc1 ZINC001244900400 1058068536 /nfs/dbraw/zinc/06/85/36/1058068536.db2.gz UJEFIGSDLLHFLE-LJQANCHMSA-N 1 1 308.425 4.267 20 30 DIEDMO Cc1cc(C)c(-c2ccc(OC3CCOCC3)c(C#N)c2)c(C)[nH+]1 ZINC001245312652 1058144036 /nfs/dbraw/zinc/14/40/36/1058144036.db2.gz 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1059411961 /nfs/dbraw/zinc/41/19/61/1059411961.db2.gz VKMPBSGVSFLKDL-HNNXBMFYSA-N 1 1 302.487 4.349 20 30 DIEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC001559578948 1059412741 /nfs/dbraw/zinc/41/27/41/1059412741.db2.gz XOBSDSVAOSFCKS-LJQANCHMSA-N 1 1 314.473 4.017 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCc3c(F)ccc(F)c3C2)CCC1 ZINC001559584834 1059417974 /nfs/dbraw/zinc/41/79/74/1059417974.db2.gz YMUMCDGEHHNGKP-UHFFFAOYSA-N 1 1 304.384 4.187 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCc3c(F)ccc(F)c3C2)CCC1 ZINC001559584834 1059417980 /nfs/dbraw/zinc/41/79/80/1059417980.db2.gz YMUMCDGEHHNGKP-UHFFFAOYSA-N 1 1 304.384 4.187 20 30 DIEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559586580 1059418882 /nfs/dbraw/zinc/41/88/82/1059418882.db2.gz HQIUJOQISZAEKA-UTKZUKDTSA-N 1 1 320.436 4.205 20 30 DIEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559586581 1059418898 /nfs/dbraw/zinc/41/88/98/1059418898.db2.gz HQIUJOQISZAEKA-UWJYYQICSA-N 1 1 320.436 4.205 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc(C[NH+](C)C)n2)cc1 ZINC001247398971 1059444710 /nfs/dbraw/zinc/44/47/10/1059444710.db2.gz QCJORKZFLPVNHN-UHFFFAOYSA-N 1 1 317.433 4.147 20 30 DIEDMO CC(C)CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627449 1059456004 /nfs/dbraw/zinc/45/60/04/1059456004.db2.gz YNEDMIZOFQCUME-QGZVFWFLSA-N 1 1 315.417 4.257 20 30 DIEDMO CCCCC[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559650338 1059479306 /nfs/dbraw/zinc/47/93/06/1059479306.db2.gz BKOZPQBFVRYPNA-GOSISDBHSA-N 1 1 300.446 4.372 20 30 DIEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001559654926 1059484395 /nfs/dbraw/zinc/48/43/95/1059484395.db2.gz PTEFWWDPLHQEBR-WOJBJXKFSA-N 1 1 312.501 4.165 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC001559670887 1059495345 /nfs/dbraw/zinc/49/53/45/1059495345.db2.gz WJMPHISHWKACKF-INIZCTEOSA-N 1 1 305.849 4.377 20 30 DIEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC001559675058 1059503925 /nfs/dbraw/zinc/50/39/25/1059503925.db2.gz ZSXMYAXDKPUMOV-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO CC#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC001559687963 1059515297 /nfs/dbraw/zinc/51/52/97/1059515297.db2.gz CHQLQWMUKVCLDG-AEFFLSMTSA-N 1 1 315.457 4.108 20 30 DIEDMO C[C@@H]1CCC[C@H](CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001559717282 1059545133 /nfs/dbraw/zinc/54/51/33/1059545133.db2.gz IHGXRCBKGUOKPP-HLIPFELVSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001559717282 1059545151 /nfs/dbraw/zinc/54/51/51/1059545151.db2.gz IHGXRCBKGUOKPP-HLIPFELVSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001559717284 1059546561 /nfs/dbraw/zinc/54/65/61/1059546561.db2.gz IHGXRCBKGUOKPP-UWVAXJGDSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@@H]1CCC[C@@H](CC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC001559717284 1059546581 /nfs/dbraw/zinc/54/65/81/1059546581.db2.gz IHGXRCBKGUOKPP-UWVAXJGDSA-N 1 1 312.457 4.148 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2c2ccccc2)c1 ZINC001559723595 1059555791 /nfs/dbraw/zinc/55/57/91/1059555791.db2.gz VSUGVKXVUPFCLS-HXUWFJFHSA-N 1 1 306.409 4.164 20 30 DIEDMO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC001559729527 1059561018 /nfs/dbraw/zinc/56/10/18/1059561018.db2.gz AFTXUUDARHFZBM-LLVKDONJSA-N 1 1 313.451 4.389 20 30 DIEDMO CC#CC[NH2+][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001559734545 1059568044 /nfs/dbraw/zinc/56/80/44/1059568044.db2.gz QQZQIRRBGYVZIR-GFCCVEGCSA-N 1 1 309.253 4.312 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(C(C)=O)c2)no1 ZINC001247638603 1059580743 /nfs/dbraw/zinc/58/07/43/1059580743.db2.gz LGKMEJGRMOGJOR-INIZCTEOSA-N 1 1 313.401 4.076 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2C)no1 ZINC001247637726 1059580815 /nfs/dbraw/zinc/58/08/15/1059580815.db2.gz CISHLWCHPCRGSF-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2OC)no1 ZINC001247640556 1059585067 /nfs/dbraw/zinc/58/50/67/1059585067.db2.gz UJXIZRJVEIFQEB-HNNXBMFYSA-N 1 1 315.417 4.190 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc3ccncc32)no1 ZINC001247641009 1059586484 /nfs/dbraw/zinc/58/64/84/1059586484.db2.gz ZOUZULHOOCILIG-KRWDZBQOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2OC)no1 ZINC001247640164 1059587232 /nfs/dbraw/zinc/58/72/32/1059587232.db2.gz PBAIRCHATJQLKF-AWEZNQCLSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797071 1059631945 /nfs/dbraw/zinc/63/19/45/1059631945.db2.gz FSXWKEJQEIKJDQ-SFHVURJKSA-N 1 1 314.473 4.309 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559799305 1059634608 /nfs/dbraw/zinc/63/46/08/1059634608.db2.gz SZMGKWDACAEVTR-KRWDZBQOSA-N 1 1 301.430 4.182 20 30 DIEDMO C=C(C)CN(Cc1ccccc1)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001559808011 1059642437 /nfs/dbraw/zinc/64/24/37/1059642437.db2.gz YJWARBSCYQMQBY-FQEVSTJZSA-N 1 1 300.490 4.328 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1ccc(C#N)cc1 ZINC001559832609 1059663865 /nfs/dbraw/zinc/66/38/65/1059663865.db2.gz WFBLRZJUOSOUQH-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)C1CCCCC1 ZINC001559831200 1059665675 /nfs/dbraw/zinc/66/56/75/1059665675.db2.gz NQHSCDBIEZIVTO-MRXNPFEDSA-N 1 1 305.462 4.366 20 30 DIEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559860368 1059680295 /nfs/dbraw/zinc/68/02/95/1059680295.db2.gz ZOGPSIQTKOZZSG-CJNGLKHVSA-N 1 1 313.363 4.433 20 30 DIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)cc1 ZINC001559870924 1059688016 /nfs/dbraw/zinc/68/80/16/1059688016.db2.gz KUCRUYBKIBXRNB-HXUWFJFHSA-N 1 1 304.437 4.419 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC001559879778 1059699795 /nfs/dbraw/zinc/69/97/95/1059699795.db2.gz QOPWOMYVFPOKCY-PBHICJAKSA-N 1 1 300.446 4.213 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911967 1059728240 /nfs/dbraw/zinc/72/82/40/1059728240.db2.gz QJISKVKAVZEGST-PMACEKPBSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001559934330 1059748651 /nfs/dbraw/zinc/74/86/51/1059748651.db2.gz LVZNMHZTEJGBNN-GOSISDBHSA-N 1 1 314.429 4.356 20 30 DIEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001559938925 1059752444 /nfs/dbraw/zinc/75/24/44/1059752444.db2.gz BEDPLNHOUKRPLM-NSHDSACASA-N 1 1 300.204 4.368 20 30 DIEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001559938925 1059752465 /nfs/dbraw/zinc/75/24/65/1059752465.db2.gz BEDPLNHOUKRPLM-NSHDSACASA-N 1 1 300.204 4.368 20 30 DIEDMO C=CCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001559962493 1059770406 /nfs/dbraw/zinc/77/04/06/1059770406.db2.gz QLEYVEVWEYBSIF-FHWLQOOXSA-N 1 1 300.490 4.326 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970126 1059774940 /nfs/dbraw/zinc/77/49/40/1059774940.db2.gz CVQLLNBZIUIDPR-INIZCTEOSA-N 1 1 320.383 4.314 20 30 DIEDMO C=CC[N@@H+](Cc1coc(-c2c(F)cccc2F)n1)C(C)(C)C ZINC001560004898 1059814555 /nfs/dbraw/zinc/81/45/55/1059814555.db2.gz BPPJTXVDWILFBN-UHFFFAOYSA-N 1 1 306.356 4.406 20 30 DIEDMO C=CC(C)(C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001525552519 1059932051 /nfs/dbraw/zinc/93/20/51/1059932051.db2.gz ITQZZTYTXMDZMA-MRXNPFEDSA-N 1 1 322.880 4.051 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC001560133455 1059935518 /nfs/dbraw/zinc/93/55/18/1059935518.db2.gz YTBNCSBLVDEBBW-OXJNMPFZSA-N 1 1 306.409 4.172 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCSc2ccccc2C1 ZINC001248752214 1059964971 /nfs/dbraw/zinc/96/49/71/1059964971.db2.gz BYCDNWJFCWPHSQ-UHFFFAOYSA-N 1 1 308.450 4.229 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCc2cc(Cl)ccc21 ZINC001560180654 1059968042 /nfs/dbraw/zinc/96/80/42/1059968042.db2.gz DLLBCCRNBPJSMM-INIZCTEOSA-N 1 1 302.830 4.392 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1F ZINC001248756493 1059971231 /nfs/dbraw/zinc/97/12/31/1059971231.db2.gz JTCKUSFGPNKIGI-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1F ZINC001248756493 1059971246 /nfs/dbraw/zinc/97/12/46/1059971246.db2.gz JTCKUSFGPNKIGI-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)c2ccccc2n1 ZINC001560181314 1059971653 /nfs/dbraw/zinc/97/16/53/1059971653.db2.gz OTMMJQDZYTVYLG-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001560181104 1059972292 /nfs/dbraw/zinc/97/22/92/1059972292.db2.gz LBNRVUPNVCRKLK-HOTGVXAUSA-N 1 1 318.392 4.100 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCCc2ccc(F)cc21 ZINC001560181254 1059973240 /nfs/dbraw/zinc/97/32/40/1059973240.db2.gz MNWQQQAXMCCEPK-QGZVFWFLSA-N 1 1 300.402 4.268 20 30 DIEDMO C=CC[N@H+](Cc1cc(Br)cnc1C)C1CCCCC1 ZINC001248782107 1059974437 /nfs/dbraw/zinc/97/44/37/1059974437.db2.gz MZQQMUMQPRACLB-UHFFFAOYSA-N 1 1 323.278 4.473 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001560188195 1059975431 /nfs/dbraw/zinc/97/54/31/1059975431.db2.gz JYONSFAFOWWDFN-BQYDLMEBSA-N 1 1 318.420 4.245 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC001560204490 1059985164 /nfs/dbraw/zinc/98/51/64/1059985164.db2.gz NIQVGPQSBZSXHT-UHFFFAOYSA-N 1 1 306.356 4.408 20 30 DIEDMO C=CCCC[N@H+](CC)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC001560204289 1059985669 /nfs/dbraw/zinc/98/56/69/1059985669.db2.gz FRHIGVDNWGBJMM-INIZCTEOSA-N 1 1 320.452 4.023 20 30 DIEDMO Cc1cc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)cs1 ZINC001248804758 1059987817 /nfs/dbraw/zinc/98/78/17/1059987817.db2.gz UOLIMQNUVNYUPG-UHFFFAOYSA-N 1 1 314.429 4.253 20 30 DIEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001560216950 1059993755 /nfs/dbraw/zinc/99/37/55/1059993755.db2.gz DGWKZNNUMAFKGN-RTBURBONSA-N 1 1 317.521 4.045 20 30 DIEDMO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC1(C#N)CCCCC1 ZINC001560216950 1059993775 /nfs/dbraw/zinc/99/37/75/1059993775.db2.gz DGWKZNNUMAFKGN-RTBURBONSA-N 1 1 317.521 4.045 20 30 DIEDMO C=CCC[N@H+](Cc1nc2cc(C)ccc2[nH]1)Cc1ccccc1 ZINC001248842455 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Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473179379 1063485689 /nfs/dbraw/zinc/48/56/89/1063485689.db2.gz DYWOAOBGLKJAPW-YJBOKZPZSA-N 1 1 308.400 4.384 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cnc(Br)c(C)c1 ZINC001473181172 1063488066 /nfs/dbraw/zinc/48/80/66/1063488066.db2.gz SDBPKXUUENUUHZ-UHFFFAOYSA-N 1 1 311.267 4.331 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186553 1063494071 /nfs/dbraw/zinc/49/40/71/1063494071.db2.gz MESKTIJWTFXSDY-PMACEKPBSA-N 1 1 305.425 4.030 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC001473188238 1063496077 /nfs/dbraw/zinc/49/60/77/1063496077.db2.gz WWGQBLTZRYGKLA-APWZRJJASA-N 1 1 324.424 4.393 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1 ZINC001461511795 1063545441 /nfs/dbraw/zinc/54/54/41/1063545441.db2.gz CRMIIRWXRAOOHF-UHFFFAOYSA-N 1 1 304.418 4.081 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001258228805 1063568109 /nfs/dbraw/zinc/56/81/09/1063568109.db2.gz KBIKTARYDCJCAW-QZTJIDSGSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCCC[C@H](C)[NH+]1CCN(C2CCOCC2)CC1 ZINC001258228428 1063568692 /nfs/dbraw/zinc/56/86/92/1063568692.db2.gz GZEXRXPODPZYDK-IBGZPJMESA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001258230022 1063569914 /nfs/dbraw/zinc/56/99/14/1063569914.db2.gz XHITXYUQLWFTMK-QGZVFWFLSA-N 1 1 310.526 4.458 20 30 DIEDMO CC1(C)CCC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C1 ZINC001258274954 1063581827 /nfs/dbraw/zinc/58/18/27/1063581827.db2.gz WDXUPRDSKKDEHZ-QMMMGPOBSA-N 1 1 309.269 4.378 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CCCC(C)(C)C1)CCO2 ZINC001258291828 1063590379 /nfs/dbraw/zinc/59/03/79/1063590379.db2.gz PUHUQSWJGASHOF-CMKODMSKSA-N 1 1 321.505 4.029 20 30 DIEDMO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC001258315083 1063605623 /nfs/dbraw/zinc/60/56/23/1063605623.db2.gz ATHOHZGCBDRKFC-PBHICJAKSA-N 1 1 306.475 4.306 20 30 DIEDMO CC[N@@H+](CCCNCc1ccc(C#N)c(C)c1)C1CCCCC1 ZINC001461614680 1063613368 /nfs/dbraw/zinc/61/33/68/1063613368.db2.gz DWEMBNWIKWBYBK-UHFFFAOYSA-N 1 1 313.489 4.001 20 30 DIEDMO COc1ccc2ccccc2c1C[NH2+]CC1(C#N)CCCCC1 ZINC001461644582 1063632212 /nfs/dbraw/zinc/63/22/12/1063632212.db2.gz GDAJHBCMQZNBAR-UHFFFAOYSA-N 1 1 308.425 4.412 20 30 DIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](CC)CCCCC)C2 ZINC001258439378 1063653435 /nfs/dbraw/zinc/65/34/35/1063653435.db2.gz JCIPOGDIHAZNKA-QUCCMNQESA-N 1 1 320.521 4.378 20 30 DIEDMO C[C@H](Cc1cccnc1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258629440 1063716774 /nfs/dbraw/zinc/71/67/74/1063716774.db2.gz AMEPGDBGRRNLQT-OAHLLOKOSA-N 1 1 313.832 4.082 20 30 DIEDMO C[C@H](Cc1cccnc1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258629440 1063716786 /nfs/dbraw/zinc/71/67/86/1063716786.db2.gz AMEPGDBGRRNLQT-OAHLLOKOSA-N 1 1 313.832 4.082 20 30 DIEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878974 1063770376 /nfs/dbraw/zinc/77/03/76/1063770376.db2.gz BWBGDMGUCDOVKB-MSOLQXFVSA-N 1 1 318.436 4.113 20 30 DIEDMO CCCCCCC[C@@H](CC(C)C)n1c(C)ncc(C[NH3+])c1=N ZINC001258716440 1063773208 /nfs/dbraw/zinc/77/32/08/1063773208.db2.gz XSJYVLSFNNHPNB-KRWDZBQOSA-N 1 1 306.498 4.077 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001461884197 1063774221 /nfs/dbraw/zinc/77/42/21/1063774221.db2.gz ROWCKNRUNHWFQZ-FCHUYYIVSA-N 1 1 316.448 4.447 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001258725904 1063778056 /nfs/dbraw/zinc/77/80/56/1063778056.db2.gz BXPXXXWQUVNADN-GUDXXQAFSA-N 1 1 318.486 4.137 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726928 1063778116 /nfs/dbraw/zinc/77/81/16/1063778116.db2.gz YWVZSRMZLAWVCM-LPHOPBHVSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726929 1063778315 /nfs/dbraw/zinc/77/83/15/1063778315.db2.gz YWVZSRMZLAWVCM-QFBILLFUSA-N 1 1 322.493 4.064 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC001461893453 1063779493 /nfs/dbraw/zinc/77/94/93/1063779493.db2.gz BXHHKURGUNZMTI-UHFFFAOYSA-N 1 1 302.443 4.369 20 30 DIEDMO C=CCC[C@@H](C)[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC001258732635 1063782372 /nfs/dbraw/zinc/78/23/72/1063782372.db2.gz OKBAYPREHUXUFD-IAGOWNOFSA-N 1 1 302.462 4.389 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001258734433 1063784498 /nfs/dbraw/zinc/78/44/98/1063784498.db2.gz XUBZZPBCSUREGM-HRCADAONSA-N 1 1 310.482 4.109 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258733989 1063784660 /nfs/dbraw/zinc/78/46/60/1063784660.db2.gz PWTSROLHLPZABZ-JYJNAYRXSA-N 1 1 310.482 4.109 20 30 DIEDMO C#CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CCCCC1 ZINC001461903617 1063789071 /nfs/dbraw/zinc/78/90/71/1063789071.db2.gz VDLWILQKCJPXPT-UHFFFAOYSA-N 1 1 313.441 4.100 20 30 DIEDMO C[C@H](Cc1cccc(Cl)c1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258745935 1063795559 /nfs/dbraw/zinc/79/55/59/1063795559.db2.gz YXRCFMZEJPUTQW-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO CC(C)[N@@H+](CC#Cc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC001461921781 1063804095 /nfs/dbraw/zinc/80/40/95/1063804095.db2.gz UDUYBRWNYBEMIV-UHFFFAOYSA-N 1 1 306.453 4.015 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](CCC)CCCC)C2 ZINC001258763636 1063809073 /nfs/dbraw/zinc/80/90/73/1063809073.db2.gz VAULHJVPWVGBOY-FHWLQOOXSA-N 1 1 309.494 4.171 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](CCC)CCCC)C2 ZINC001258763635 1063810326 /nfs/dbraw/zinc/81/03/26/1063810326.db2.gz VAULHJVPWVGBOY-CEXWTWQISA-N 1 1 309.494 4.171 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](CCC)CCCC)C2 ZINC001258763637 1063810752 /nfs/dbraw/zinc/81/07/52/1063810752.db2.gz VAULHJVPWVGBOY-GBESFXJTSA-N 1 1 309.494 4.171 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC001461948151 1063832779 /nfs/dbraw/zinc/83/27/79/1063832779.db2.gz FKKPFRPXMHQEPQ-NRFANRHFSA-N 1 1 307.412 4.404 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001461961907 1063841616 /nfs/dbraw/zinc/84/16/16/1063841616.db2.gz FZONPFPKLJUDDQ-FQEVSTJZSA-N 1 1 320.436 4.466 20 30 DIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C(CC(C)C)CC(C)C)C2 ZINC001258834711 1063856482 /nfs/dbraw/zinc/85/64/82/1063856482.db2.gz HSWGCAZKRWSPLG-UXHICEINSA-N 1 1 323.521 4.273 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cnc(-c2c(F)cccc2F)s1 ZINC001462015890 1063877536 /nfs/dbraw/zinc/87/75/36/1063877536.db2.gz BHLUWPIOKSWFHG-UHFFFAOYSA-N 1 1 308.397 4.486 20 30 DIEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC001462040987 1063896249 /nfs/dbraw/zinc/89/62/49/1063896249.db2.gz QGLVCIAFHFGYJT-UHFFFAOYSA-N 1 1 303.327 4.189 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC001462040987 1063896259 /nfs/dbraw/zinc/89/62/59/1063896259.db2.gz QGLVCIAFHFGYJT-UHFFFAOYSA-N 1 1 303.327 4.189 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N(CC)C(C)C)C1 ZINC001279719945 1064364540 /nfs/dbraw/zinc/36/45/40/1064364540.db2.gz MDEDKGIOSNFAFW-AZUAARDMSA-N 1 1 320.521 4.092 20 30 DIEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1ccccc1C#N ZINC001279745442 1064366126 /nfs/dbraw/zinc/36/61/26/1064366126.db2.gz GRJWEQQWJQGCKM-QRQLOZEOSA-N 1 1 311.473 4.038 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001293854737 1064834095 /nfs/dbraw/zinc/83/40/95/1064834095.db2.gz HTPUXODKAGZXLG-WKWPXIAWSA-N 1 1 322.537 4.482 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001298378276 1065003572 /nfs/dbraw/zinc/00/35/72/1065003572.db2.gz XCYWMAKRVWOSKL-IPMKNSEASA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001306858822 1065197377 /nfs/dbraw/zinc/19/73/77/1065197377.db2.gz ICQSZAKGKWZTFE-QGZVFWFLSA-N 1 1 308.510 4.212 20 30 DIEDMO Cc1cc(C#N)cc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001307146411 1065285132 /nfs/dbraw/zinc/28/51/32/1065285132.db2.gz HRODQWYWFGFQKR-SFHVURJKSA-N 1 1 323.465 4.018 20 30 DIEDMO C#CC[N@H+](Cc1c(C)cc(C)nc1C)[C@H]1CCc2ccccc21 ZINC001307430675 1065391013 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C#CCC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001307442379 1065401616 /nfs/dbraw/zinc/40/16/16/1065401616.db2.gz PBSZWWRTAMZYFN-XYJFISCASA-N 1 1 313.441 4.065 20 30 DIEDMO C#CC[N@H+](CCCc1c(F)cccc1F)Cc1ccc(F)cc1 ZINC001307444637 1065403648 /nfs/dbraw/zinc/40/36/48/1065403648.db2.gz GTBFPOBUGKZMJS-UHFFFAOYSA-N 1 1 317.354 4.172 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc([Si](C)(C)C)cc1 ZINC001307444898 1065404945 /nfs/dbraw/zinc/40/49/45/1065404945.db2.gz MUGUCWISSWDUTL-UHFFFAOYSA-N 1 1 323.556 4.463 20 30 DIEDMO COc1ccc([C@@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)cc1 ZINC001307448108 1065407486 /nfs/dbraw/zinc/40/74/86/1065407486.db2.gz MXZFMQNPRSGYRM-GOSISDBHSA-N 1 1 312.457 4.349 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC001307452518 1065408582 /nfs/dbraw/zinc/40/85/82/1065408582.db2.gz FWYNSAJAXRRFGH-FQEVSTJZSA-N 1 1 320.436 4.207 20 30 DIEDMO CCCCCCCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC001307455989 1065410943 /nfs/dbraw/zinc/41/09/43/1065410943.db2.gz 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CCCCCCCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000280014829 334113552 /nfs/dbraw/zinc/11/35/52/334113552.db2.gz GYSGTFGKQAIXES-QGZVFWFLSA-N 1 1 300.450 4.234 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281888631 334129290 /nfs/dbraw/zinc/12/92/90/334129290.db2.gz DPLUZAXADSJPNC-HNNXBMFYSA-N 1 1 320.864 4.433 20 30 DIEDMO CC[C@@H](C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282001876 334130368 /nfs/dbraw/zinc/13/03/68/334130368.db2.gz NPYAEYVCUKAZSV-GOSISDBHSA-N 1 1 314.473 4.388 20 30 DIEDMO C[N@@H+](CCCCc1ccccc1)CCCC1(C#N)CCOCC1 ZINC000282001287 334130392 /nfs/dbraw/zinc/13/03/92/334130392.db2.gz NMZNXRQPPLBZBV-UHFFFAOYSA-N 1 1 314.473 4.042 20 30 DIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000282016111 334130563 /nfs/dbraw/zinc/13/05/63/334130563.db2.gz OVZRJPIDVZIIAT-UHFFFAOYSA-N 1 1 318.436 4.138 20 30 DIEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282132354 334131907 /nfs/dbraw/zinc/13/19/07/334131907.db2.gz YXYACQUHKWLRII-LJQANCHMSA-N 1 1 314.473 4.040 20 30 DIEDMO Cc1ccc([C@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282143109 334132016 /nfs/dbraw/zinc/13/20/16/334132016.db2.gz ZRRNWSHUXRISNL-KRWDZBQOSA-N 1 1 300.446 4.088 20 30 DIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC(C)(C)C1 ZINC000289923768 334169552 /nfs/dbraw/zinc/16/95/52/334169552.db2.gz UMLRWGULGASEEA-KRWDZBQOSA-N 1 1 314.473 4.267 20 30 DIEDMO N#C[C@H]1CC[C@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827690 334193018 /nfs/dbraw/zinc/19/30/18/334193018.db2.gz ONQVFEZDTCPABT-BBRMVZONSA-N 1 1 309.388 4.088 20 30 DIEDMO C[C@@H](c1cccs1)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293293417 334196862 /nfs/dbraw/zinc/19/68/62/334196862.db2.gz ZCZBLQVEFPWGNN-INIZCTEOSA-N 1 1 314.454 4.242 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000298360792 334247994 /nfs/dbraw/zinc/24/79/94/334247994.db2.gz FZCHTENOUHBGIF-DLBZAZTESA-N 1 1 324.472 4.489 20 30 DIEDMO CCC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000571658352 334282358 /nfs/dbraw/zinc/28/23/58/334282358.db2.gz YJYMEUWHEOYLFK-UHFFFAOYSA-N 1 1 310.445 4.084 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962000 334350522 /nfs/dbraw/zinc/35/05/22/334350522.db2.gz ZYWAUSYCEPUNDD-RBUKOAKNSA-N 1 1 312.457 4.118 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C[C@H]2CCCOC2)C(C)(C)C)cc1 ZINC000532021977 334376651 /nfs/dbraw/zinc/37/66/51/334376651.db2.gz HNUBKNOYTGBVFC-GOSISDBHSA-N 1 1 317.473 4.279 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cc(F)ccc1F ZINC000341995623 334499287 /nfs/dbraw/zinc/49/92/87/334499287.db2.gz PQCLXRHSKUZLTD-MRXNPFEDSA-N 1 1 304.315 4.216 20 30 DIEDMO N#CCc1ccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000342714868 334568034 /nfs/dbraw/zinc/56/80/34/334568034.db2.gz CDWOOQPYUWHCFR-OAQYLSRUSA-N 1 1 313.404 4.027 20 30 DIEDMO Cc1cc(C[NH2+]Cc2csc(-c3ccccc3)n2)ccc1C#N ZINC000443978874 338465041 /nfs/dbraw/zinc/46/50/41/338465041.db2.gz IYZOXSVLZSDGRT-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000128586871 334896081 /nfs/dbraw/zinc/89/60/81/334896081.db2.gz VGYSIUDWEBTVKM-CQSZACIVSA-N 1 1 314.454 4.129 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2nc3ccc(F)cc3o2)C2CC2)cc1 ZINC000344102040 335223158 /nfs/dbraw/zinc/22/31/58/335223158.db2.gz DJDYJIHLOSHKIA-UHFFFAOYSA-N 1 1 321.355 4.003 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2nc3ccc(F)cc3o2)C2CC2)cc1 ZINC000344102040 335223159 /nfs/dbraw/zinc/22/31/59/335223159.db2.gz DJDYJIHLOSHKIA-UHFFFAOYSA-N 1 1 321.355 4.003 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000345019456 335291962 /nfs/dbraw/zinc/29/19/62/335291962.db2.gz MMDOKTSCWLDBCK-HNNXBMFYSA-N 1 1 309.335 4.226 20 30 DIEDMO N#CC1(CCC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CCOCC1 ZINC000366889756 335301774 /nfs/dbraw/zinc/30/17/74/335301774.db2.gz XZSNDIKZDXNDNC-XTXLJPNXSA-N 1 1 324.468 4.265 20 30 DIEDMO Cc1sc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)nc1C(C)C ZINC000346194000 335388544 /nfs/dbraw/zinc/38/85/44/335388544.db2.gz NTDBTRDJTOKKBZ-NSHDSACASA-N 1 1 317.433 4.437 20 30 DIEDMO CCC1(CC)CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332246346 336164839 /nfs/dbraw/zinc/16/48/39/336164839.db2.gz XBSYAALSRBJDOP-KRWDZBQOSA-N 1 1 313.445 4.427 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000532492939 336250730 /nfs/dbraw/zinc/25/07/30/336250730.db2.gz ZOJJXUZUIMDEPJ-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000532608524 336257561 /nfs/dbraw/zinc/25/75/61/336257561.db2.gz VTEUZCHJPNHQIU-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000532608524 336257562 /nfs/dbraw/zinc/25/75/62/336257562.db2.gz VTEUZCHJPNHQIU-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941920 336275284 /nfs/dbraw/zinc/27/52/84/336275284.db2.gz YNMMWJITYOVWHN-UZLBHIALSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941920 336275285 /nfs/dbraw/zinc/27/52/85/336275285.db2.gz YNMMWJITYOVWHN-UZLBHIALSA-N 1 1 306.409 4.001 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182640672 336277642 /nfs/dbraw/zinc/27/76/42/336277642.db2.gz DTXBJEYCQVVSRG-ZDUSSCGKSA-N 1 1 306.365 4.164 20 30 DIEDMO C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccc(C#N)cc1 ZINC000325122931 336279887 /nfs/dbraw/zinc/27/98/87/336279887.db2.gz YHFVETVXEWXTPX-HRAATJIYSA-N 1 1 313.404 4.393 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccc(C#N)cc2)CC1 ZINC000301657315 336321215 /nfs/dbraw/zinc/32/12/15/336321215.db2.gz IMBADTOHMUUJSG-QGZVFWFLSA-N 1 1 311.473 4.039 20 30 DIEDMO Cc1cc(NCc2ccc(-c3ccccc3C#N)cc2)nc(C)[nH+]1 ZINC000301950915 336339582 /nfs/dbraw/zinc/33/95/82/336339582.db2.gz FELYPLDICQVTAO-UHFFFAOYSA-N 1 1 314.392 4.244 20 30 DIEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000563950452 336388170 /nfs/dbraw/zinc/38/81/70/336388170.db2.gz KOXBLJBHRBGTRP-QGZVFWFLSA-N 1 1 324.472 4.474 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000361181917 336742731 /nfs/dbraw/zinc/74/27/31/336742731.db2.gz SQFWNAPPTCQQRV-MEDUHNTESA-N 1 1 314.335 4.011 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000377866055 337062876 /nfs/dbraw/zinc/06/28/76/337062876.db2.gz VXLHOMZWLQRSBO-MRXNPFEDSA-N 1 1 302.466 4.274 20 30 DIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)c1 ZINC000174811507 337143529 /nfs/dbraw/zinc/14/35/29/337143529.db2.gz UEZLJRIAUXSAIF-KRWDZBQOSA-N 1 1 316.445 4.171 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000177855919 337160828 /nfs/dbraw/zinc/16/08/28/337160828.db2.gz XZLSIQHHTJHFLY-INIZCTEOSA-N 1 1 316.376 4.163 20 30 DIEDMO C[C@@H]1CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000187515977 337266582 /nfs/dbraw/zinc/26/65/82/337266582.db2.gz JKUQMTHAEOLEPC-QGZVFWFLSA-N 1 1 322.456 4.086 20 30 DIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)cc1 ZINC000530418915 337279499 /nfs/dbraw/zinc/27/94/99/337279499.db2.gz MZJJPEQVYMRNLX-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO Cc1cccc([C@@H](C)[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC000584433792 337325438 /nfs/dbraw/zinc/32/54/38/337325438.db2.gz QCKRZTNZQVJCLV-QGZVFWFLSA-N 1 1 308.425 4.076 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000532926435 337393133 /nfs/dbraw/zinc/39/31/33/337393133.db2.gz BEVXRXFGPUTRQW-MRXNPFEDSA-N 1 1 318.486 4.024 20 30 DIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000125508284 337412340 /nfs/dbraw/zinc/41/23/40/337412340.db2.gz JMVPQYXWFLTARX-UHFFFAOYSA-N 1 1 316.420 4.011 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccco1 ZINC000248876983 337568167 /nfs/dbraw/zinc/56/81/67/337568167.db2.gz JRFOQYLCTNRIOI-VCBZYWHSSA-N 1 1 310.397 4.050 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cnc(CC)s1)c1ccc(F)c(F)c1 ZINC000274825410 337659055 /nfs/dbraw/zinc/65/90/55/337659055.db2.gz SOIJBZVLMXDJLN-INIZCTEOSA-N 1 1 308.397 4.391 20 30 DIEDMO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424193859 337805834 /nfs/dbraw/zinc/80/58/34/337805834.db2.gz KYFCTAXGAVYJHG-VQTJNVASSA-N 1 1 324.399 4.096 20 30 DIEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000425963934 338019276 /nfs/dbraw/zinc/01/92/76/338019276.db2.gz NUPLEYFVMBGVOE-UHFFFAOYSA-N 1 1 309.335 4.103 20 30 DIEDMO CCCc1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000428292122 338045894 /nfs/dbraw/zinc/04/58/94/338045894.db2.gz XKVDNGMSYKXKEQ-UHFFFAOYSA-N 1 1 321.424 4.097 20 30 DIEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1cccc(Cl)c1 ZINC000428310073 338046707 /nfs/dbraw/zinc/04/67/07/338046707.db2.gz FWMUXNTUJUNXCI-UHFFFAOYSA-N 1 1 302.780 4.376 20 30 DIEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428315966 338046943 /nfs/dbraw/zinc/04/69/43/338046943.db2.gz QIBYPOFOYRQIQJ-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000428379315 338049677 /nfs/dbraw/zinc/04/96/77/338049677.db2.gz WBKUKLPSLZIOHY-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1c(F)cccc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000428379315 338049678 /nfs/dbraw/zinc/04/96/78/338049678.db2.gz WBKUKLPSLZIOHY-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000428379311 338049709 /nfs/dbraw/zinc/04/97/09/338049709.db2.gz WBKUKLPSLZIOHY-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1c(F)cccc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000428379311 338049710 /nfs/dbraw/zinc/04/97/10/338049710.db2.gz WBKUKLPSLZIOHY-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000428449767 338052144 /nfs/dbraw/zinc/05/21/44/338052144.db2.gz XGQSUJIHBSHHKG-AWEZNQCLSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000428449767 338052145 /nfs/dbraw/zinc/05/21/45/338052145.db2.gz XGQSUJIHBSHHKG-AWEZNQCLSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1cccc(F)c1C#N ZINC000428491793 338054931 /nfs/dbraw/zinc/05/49/31/338054931.db2.gz ZXHIWWARAJSCJH-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cccc(F)c1C#N ZINC000428491793 338054932 /nfs/dbraw/zinc/05/49/32/338054932.db2.gz ZXHIWWARAJSCJH-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO C=CC[N@@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000428881162 338064273 /nfs/dbraw/zinc/06/42/73/338064273.db2.gz NQJCTZKFCNKHBS-ZZXKWVIFSA-N 1 1 319.246 4.254 20 30 DIEDMO C=CC[N@H+](CCC#N)CC/C=C/c1ccc(Br)cc1 ZINC000428881162 338064274 /nfs/dbraw/zinc/06/42/74/338064274.db2.gz NQJCTZKFCNKHBS-ZZXKWVIFSA-N 1 1 319.246 4.254 20 30 DIEDMO N#C[C@@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000429028719 338069362 /nfs/dbraw/zinc/06/93/62/338069362.db2.gz MSBZJOXWAJXUIG-OIISXLGYSA-N 1 1 304.384 4.051 20 30 DIEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429059218 338070036 /nfs/dbraw/zinc/07/00/36/338070036.db2.gz KYWLFIATXBERRX-GFCCVEGCSA-N 1 1 317.230 4.336 20 30 DIEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429059218 338070037 /nfs/dbraw/zinc/07/00/37/338070037.db2.gz KYWLFIATXBERRX-GFCCVEGCSA-N 1 1 317.230 4.336 20 30 DIEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084619 338095287 /nfs/dbraw/zinc/09/52/87/338095287.db2.gz KIGIMSODMXZSIH-IBGZPJMESA-N 1 1 312.457 4.380 20 30 DIEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccccc1 ZINC000430098596 338096365 /nfs/dbraw/zinc/09/63/65/338096365.db2.gz CWVZJHKYPRVPMM-MRXNPFEDSA-N 1 1 318.424 4.178 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000433027450 338177143 /nfs/dbraw/zinc/17/71/43/338177143.db2.gz KYFAUMQZWDYXEQ-MRXNPFEDSA-N 1 1 323.371 4.492 20 30 DIEDMO N#Cc1csc(C[NH+]2CCC(c3ncccc3Cl)CC2)c1 ZINC000433036650 338177610 /nfs/dbraw/zinc/17/76/10/338177610.db2.gz XQGRTBFDQPUWIR-UHFFFAOYSA-N 1 1 317.845 4.048 20 30 DIEDMO C[N@@H+](CC/C=C/c1ccc(Br)cc1)CC(C)(C)C#N ZINC000433325683 338192453 /nfs/dbraw/zinc/19/24/53/338192453.db2.gz KFKGADVXGXPSQB-GQCTYLIASA-N 1 1 321.262 4.334 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)C#N ZINC000433323938 338192456 /nfs/dbraw/zinc/19/24/56/338192456.db2.gz AFDZUARKDYSLAF-UHFFFAOYSA-N 1 1 303.409 4.207 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)C#N ZINC000433323938 338192457 /nfs/dbraw/zinc/19/24/57/338192457.db2.gz AFDZUARKDYSLAF-UHFFFAOYSA-N 1 1 303.409 4.207 20 30 DIEDMO C[N@H+](Cc1cc2cc(F)ccc2o1)Cc1cc(C#N)ccc1F ZINC000434984959 338228667 /nfs/dbraw/zinc/22/86/67/338228667.db2.gz DLKQLDMHUMMCCT-UHFFFAOYSA-N 1 1 312.319 4.215 20 30 DIEDMO C[N@@H+](Cc1cc2cc(F)ccc2o1)Cc1cc(C#N)ccc1F ZINC000434984959 338228668 /nfs/dbraw/zinc/22/86/68/338228668.db2.gz DLKQLDMHUMMCCT-UHFFFAOYSA-N 1 1 312.319 4.215 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000437566480 338313710 /nfs/dbraw/zinc/31/37/10/338313710.db2.gz FWQIYBOGBBQOIS-YOEHRIQHSA-N 1 1 310.397 4.133 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000437566480 338313711 /nfs/dbraw/zinc/31/37/11/338313711.db2.gz FWQIYBOGBBQOIS-YOEHRIQHSA-N 1 1 310.397 4.133 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cc3c(cccc3F)[nH]2)C2CC2)cc1 ZINC000437586832 338315132 /nfs/dbraw/zinc/31/51/32/338315132.db2.gz DVWRCXOOVFDPEZ-UHFFFAOYSA-N 1 1 319.383 4.343 20 30 DIEDMO C=C(C)CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000156163768 338342378 /nfs/dbraw/zinc/34/23/78/338342378.db2.gz BQAPOHJHGGNWNL-UHFFFAOYSA-N 1 1 315.461 4.149 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000439431702 338369193 /nfs/dbraw/zinc/36/91/93/338369193.db2.gz NYUICCUTTCZINW-CQSZACIVSA-N 1 1 317.845 4.048 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000439441450 338369597 /nfs/dbraw/zinc/36/95/97/338369597.db2.gz JTMZPMXQYZAXLH-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000439441450 338369598 /nfs/dbraw/zinc/36/95/98/338369598.db2.gz JTMZPMXQYZAXLH-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440568227 338390510 /nfs/dbraw/zinc/39/05/10/338390510.db2.gz YLONJLJTGHLIMU-IIZJSDIPSA-N 1 1 324.468 4.289 20 30 DIEDMO COc1cccc2c(NCC3CCC(C#N)CC3)cc(C)[nH+]c12 ZINC000440666839 338394834 /nfs/dbraw/zinc/39/48/34/338394834.db2.gz HRDSBDOHMKDXJL-UHFFFAOYSA-N 1 1 309.413 4.294 20 30 DIEDMO Cc1cc(N[C@@H]2CCC[C@@H](C#N)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000446760865 338535492 /nfs/dbraw/zinc/53/54/92/338535492.db2.gz WGBHZODOUONVAL-BRWVUGGUSA-N 1 1 312.461 4.263 20 30 DIEDMO C=C1CC[NH+](Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449023372 338584549 /nfs/dbraw/zinc/58/45/49/338584549.db2.gz QCNCWCCVTCWOCG-UHFFFAOYSA-N 1 1 306.381 4.240 20 30 DIEDMO CC(C)(C)[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459349248 339023529 /nfs/dbraw/zinc/02/35/29/339023529.db2.gz IVFQAQMBDWBWSE-SFHVURJKSA-N 1 1 323.396 4.343 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459454302 339030089 /nfs/dbraw/zinc/03/00/89/339030089.db2.gz FFTNMMUMBJHZSO-UHFFFAOYSA-N 1 1 310.445 4.068 20 30 DIEDMO N#CCCCN1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596012 339038038 /nfs/dbraw/zinc/03/80/38/339038038.db2.gz SHSSIGALLDRGRB-OAHLLOKOSA-N 1 1 302.809 4.047 20 30 DIEDMO C[C@H]1C[C@@]1([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000503433977 339070388 /nfs/dbraw/zinc/07/03/88/339070388.db2.gz KCFVGSXHJMFUMP-SGTLLEGYSA-N 1 1 314.791 4.376 20 30 DIEDMO C[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463446535 339118237 /nfs/dbraw/zinc/11/82/37/339118237.db2.gz GZVHCUJDZDTTBM-CABCVRRESA-N 1 1 314.326 4.250 20 30 DIEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463446535 339118238 /nfs/dbraw/zinc/11/82/38/339118238.db2.gz GZVHCUJDZDTTBM-CABCVRRESA-N 1 1 314.326 4.250 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(F)cc1C#N ZINC000464592058 339146611 /nfs/dbraw/zinc/14/66/11/339146611.db2.gz LUVUQFVMMBJNRD-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464741291 339150626 /nfs/dbraw/zinc/15/06/26/339150626.db2.gz SUQVFMLHFQKION-BEFAXECRSA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743080 339150818 /nfs/dbraw/zinc/15/08/18/339150818.db2.gz YMRDGJCEJODDNX-FOIQADDNSA-N 1 1 324.399 4.159 20 30 DIEDMO COc1ccc(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464816132 339155113 /nfs/dbraw/zinc/15/51/13/339155113.db2.gz SAILBDNKWRDXIP-LEWJYISDSA-N 1 1 320.436 4.009 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC000464852813 339157979 /nfs/dbraw/zinc/15/79/79/339157979.db2.gz MDWFEKRQYDOZDX-CRAIPNDOSA-N 1 1 310.397 4.003 20 30 DIEDMO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H](c2ccco2)C1 ZINC000464852818 339158010 /nfs/dbraw/zinc/15/80/10/339158010.db2.gz MDWFEKRQYDOZDX-YJBOKZPZSA-N 1 1 310.397 4.003 20 30 DIEDMO C=CCOc1ccc(CNc2[nH+]cccc2C(C)C)cc1OC ZINC000466635183 339211369 /nfs/dbraw/zinc/21/13/69/339211369.db2.gz NNHXLGGSJIPPRB-UHFFFAOYSA-N 1 1 312.413 4.391 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)[C@H](C)c1ccccc1OC ZINC000466705023 339213574 /nfs/dbraw/zinc/21/35/74/339213574.db2.gz FZPSDOMFAIHUHV-OAHLLOKOSA-N 1 1 306.475 4.115 20 30 DIEDMO N#CCSCCC[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000466731419 339214698 /nfs/dbraw/zinc/21/46/98/339214698.db2.gz NNNIWNCXQYYEAT-UHFFFAOYSA-N 1 1 324.493 4.378 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000466805423 339217499 /nfs/dbraw/zinc/21/74/99/339217499.db2.gz ILXDCVQWXBGBQX-AWEZNQCLSA-N 1 1 321.490 4.060 20 30 DIEDMO CC#CCC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000467195151 339227748 /nfs/dbraw/zinc/22/77/48/339227748.db2.gz FSKGZLKVXHDQNE-HNNXBMFYSA-N 1 1 310.210 4.139 20 30 DIEDMO CC#CCC[N@H+]1CCC[C@H]1c1cc(F)cc(Br)c1 ZINC000467195151 339227749 /nfs/dbraw/zinc/22/77/49/339227749.db2.gz FSKGZLKVXHDQNE-HNNXBMFYSA-N 1 1 310.210 4.139 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000468266519 339258062 /nfs/dbraw/zinc/25/80/62/339258062.db2.gz OWTZZXGKDOHCHQ-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270794 339258264 /nfs/dbraw/zinc/25/82/64/339258264.db2.gz QICCBSKYJAGZTH-SUMWQHHRSA-N 1 1 312.363 4.214 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccc(F)c(C#N)c2)C(C)C)s1 ZINC000468272879 339258463 /nfs/dbraw/zinc/25/84/63/339258463.db2.gz PIPOAODBTLFDBB-UHFFFAOYSA-N 1 1 302.418 4.478 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000468284057 339258819 /nfs/dbraw/zinc/25/88/19/339258819.db2.gz BSQCQLCIGSOETL-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO N#Cc1cc(C[N@H+](CCc2cccc(F)c2)C2CC2)ccc1F ZINC000468283004 339258831 /nfs/dbraw/zinc/25/88/31/339258831.db2.gz VYMZVDPPTAYCIR-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000468290087 339258974 /nfs/dbraw/zinc/25/89/74/339258974.db2.gz MVYZFBOIHXCOPR-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000468801837 339271316 /nfs/dbraw/zinc/27/13/16/339271316.db2.gz CDTWJERLZPPRFH-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000468801837 339271317 /nfs/dbraw/zinc/27/13/17/339271317.db2.gz CDTWJERLZPPRFH-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000469157535 339281608 /nfs/dbraw/zinc/28/16/08/339281608.db2.gz AXTRSCCEKNDNCS-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)c1cccc(OC)c1 ZINC000469157535 339281609 /nfs/dbraw/zinc/28/16/09/339281609.db2.gz AXTRSCCEKNDNCS-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)s1 ZINC000469986436 339306891 /nfs/dbraw/zinc/30/68/91/339306891.db2.gz ZJLGBIMJILWXOM-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccccc3F)CC2)cc1 ZINC000469985860 339307042 /nfs/dbraw/zinc/30/70/42/339307042.db2.gz QOXNHSQCTJDHLN-UHFFFAOYSA-N 1 1 306.384 4.029 20 30 DIEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000470724443 339326214 /nfs/dbraw/zinc/32/62/14/339326214.db2.gz WUHUPSSTJSHWPG-CYBMUJFWSA-N 1 1 301.352 4.291 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470761464 339327111 /nfs/dbraw/zinc/32/71/11/339327111.db2.gz JNOIDBDOUGFUKX-HXUWFJFHSA-N 1 1 324.468 4.005 20 30 DIEDMO C=CCOCCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000470773196 339327442 /nfs/dbraw/zinc/32/74/42/339327442.db2.gz NRIPKAUDDXATMV-MRXNPFEDSA-N 1 1 323.864 4.024 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470789473 339328240 /nfs/dbraw/zinc/32/82/40/339328240.db2.gz LIIYLBXVGBHSLE-NRFANRHFSA-N 1 1 324.468 4.005 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228102 339366517 /nfs/dbraw/zinc/36/65/17/339366517.db2.gz YNPSWQWXASKPIW-IAGOWNOFSA-N 1 1 306.494 4.376 20 30 DIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)cc1 ZINC000472250632 339367598 /nfs/dbraw/zinc/36/75/98/339367598.db2.gz JGKAJGPVKFSYDY-SFHVURJKSA-N 1 1 314.473 4.280 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472580555 339374073 /nfs/dbraw/zinc/37/40/73/339374073.db2.gz KYNGNNMMPYOTGP-RTWAWAEBSA-N 1 1 307.437 4.113 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761494 339376990 /nfs/dbraw/zinc/37/69/90/339376990.db2.gz FMAOMFNOAVWMIF-DGCLKSJQSA-N 1 1 302.245 4.313 20 30 DIEDMO COc1c(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)oc2ccccc21 ZINC000474047307 339399032 /nfs/dbraw/zinc/39/90/32/339399032.db2.gz PQZMIJJIFQFJFO-LBPRGKRZSA-N 1 1 324.355 4.303 20 30 DIEDMO N#Cc1ccc(CNc2cc(CCc3ccccc3)cc[nH+]2)s1 ZINC000499407071 340036372 /nfs/dbraw/zinc/03/63/72/340036372.db2.gz KEWCXHSODZYRAA-UHFFFAOYSA-N 1 1 319.433 4.412 20 30 DIEDMO C=CC[C@H]1[N@H+](CCCC2(C#N)CCOCC2)CCCC1(C)C ZINC000499730393 340043511 /nfs/dbraw/zinc/04/35/11/340043511.db2.gz FUBVASPLJPEODR-QGZVFWFLSA-N 1 1 304.478 4.154 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1ccc(F)cc1 ZINC000501202516 340076152 /nfs/dbraw/zinc/07/61/52/340076152.db2.gz JAAZNXKJVHLYPZ-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@H]1CC[N@@H+](CC2(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000501529099 340082869 /nfs/dbraw/zinc/08/28/69/340082869.db2.gz CZVZVIZHFQUUPB-SWLSCSKDSA-N 1 1 308.347 4.392 20 30 DIEDMO N#CC1(C[N@H+]2CCc3ccccc3[C@H]2Cc2ccccc2)CC1 ZINC000501529046 340082893 /nfs/dbraw/zinc/08/28/93/340082893.db2.gz CGPKTJGKZXIPAB-HXUWFJFHSA-N 1 1 302.421 4.132 20 30 DIEDMO C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC2(C#N)CC2)C1 ZINC000501543158 340083295 /nfs/dbraw/zinc/08/32/95/340083295.db2.gz XENXHZZDTJGJEZ-SWLSCSKDSA-N 1 1 308.347 4.392 20 30 DIEDMO COc1cccc([C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502506936 340106323 /nfs/dbraw/zinc/10/63/23/340106323.db2.gz LVDNGQATYMBFDR-MRXNPFEDSA-N 1 1 318.420 4.417 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CCc4ccc(F)cc43)CC2)cc1 ZINC000502553696 340107631 /nfs/dbraw/zinc/10/76/31/340107631.db2.gz NBBNLDZBTGZOFI-NRFANRHFSA-N 1 1 318.395 4.474 20 30 DIEDMO C[C@H]1C[C@]1([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000503411964 340127727 /nfs/dbraw/zinc/12/77/27/340127727.db2.gz KLEJHOONHZVBPD-KPZWWZAWSA-N 1 1 314.791 4.376 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505867378 340180072 /nfs/dbraw/zinc/18/00/72/340180072.db2.gz BQXMETKNDGIOTO-FUHWJXTLSA-N 1 1 306.409 4.020 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(-n2cccn2)c1 ZINC000506005447 340183053 /nfs/dbraw/zinc/18/30/53/340183053.db2.gz WQUVGGMJUGGKRH-UHFFFAOYSA-N 1 1 309.438 4.122 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc2c[nH]nc2c1 ZINC000506111324 340185952 /nfs/dbraw/zinc/18/59/52/340185952.db2.gz AXHIHQPKWDNSRD-UHFFFAOYSA-N 1 1 317.845 4.466 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc2c[nH]nc2c1 ZINC000506111324 340185953 /nfs/dbraw/zinc/18/59/53/340185953.db2.gz AXHIHQPKWDNSRD-UHFFFAOYSA-N 1 1 317.845 4.466 20 30 DIEDMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000506129422 340186357 /nfs/dbraw/zinc/18/63/57/340186357.db2.gz 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C=CC[N@@H+](CCc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000065959240 1040627272 /nfs/dbraw/zinc/62/72/72/1040627272.db2.gz WRHQVSHGNLKPCR-UHFFFAOYSA-N 1 1 317.436 4.103 20 30 DIEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000066420942 1040835266 /nfs/dbraw/zinc/83/52/66/1040835266.db2.gz WLYFLTXXQIIPQR-ZDUSSCGKSA-N 1 1 316.351 4.353 20 30 DIEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCC2)c(C(F)(F)F)c1 ZINC000581520411 1040861105 /nfs/dbraw/zinc/86/11/05/1040861105.db2.gz WAAZPFHKRPKYDK-UHFFFAOYSA-N 1 1 308.347 4.342 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)nc1 ZINC000581891915 1040895314 /nfs/dbraw/zinc/89/53/14/1040895314.db2.gz KEYCGBSTOHYGQC-UHFFFAOYSA-N 1 1 309.388 4.037 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000170791563 1041044882 /nfs/dbraw/zinc/04/48/82/1041044882.db2.gz YYKZDCIUFGCOAO-UHFFFAOYSA-N 1 1 318.376 4.059 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000170791563 1041044891 /nfs/dbraw/zinc/04/48/91/1041044891.db2.gz YYKZDCIUFGCOAO-UHFFFAOYSA-N 1 1 318.376 4.059 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143468997 1041073693 /nfs/dbraw/zinc/07/36/93/1041073693.db2.gz OTYBUFCKTORTAJ-UHFFFAOYSA-N 1 1 300.324 4.019 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cc(C)cc(OC(F)(F)F)c1 ZINC001143468997 1041073709 /nfs/dbraw/zinc/07/37/09/1041073709.db2.gz OTYBUFCKTORTAJ-UHFFFAOYSA-N 1 1 300.324 4.019 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000616810509 1041130881 /nfs/dbraw/zinc/13/08/81/1041130881.db2.gz YQRXASJAQVQPCK-HNNXBMFYSA-N 1 1 310.363 4.277 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000809663770 1041221395 /nfs/dbraw/zinc/22/13/95/1041221395.db2.gz USURCGABTXHPNY-MRXNPFEDSA-N 1 1 307.359 4.222 20 30 DIEDMO C#C[C@H](C)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000809682831 1041223933 /nfs/dbraw/zinc/22/39/33/1041223933.db2.gz FINWJULPSJZFLD-JTQLQIEISA-N 1 1 308.859 4.059 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](CC)CCCCCC)C2)C1=O ZINC001170593470 1041291076 /nfs/dbraw/zinc/29/10/76/1041291076.db2.gz RQSXWQSDENPGKN-QUCCMNQESA-N 1 1 320.521 4.236 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000480772541 1041437162 /nfs/dbraw/zinc/43/71/62/1041437162.db2.gz GEPATOBHFKINPH-UHFFFAOYSA-N 1 1 323.827 4.494 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cc1C#N ZINC000480772541 1041437168 /nfs/dbraw/zinc/43/71/68/1041437168.db2.gz GEPATOBHFKINPH-UHFFFAOYSA-N 1 1 323.827 4.494 20 30 DIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccc(C#N)cc1 ZINC000747633917 1041447495 /nfs/dbraw/zinc/44/74/95/1041447495.db2.gz ZMPMDPWTYFQDMK-UHFFFAOYSA-N 1 1 320.440 4.114 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000728711949 1041478988 /nfs/dbraw/zinc/47/89/88/1041478988.db2.gz RGDPPTKRDSKPCT-OLZOCXBDSA-N 1 1 316.351 4.106 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(C(F)(F)F)c1 ZINC000811463149 1041520562 /nfs/dbraw/zinc/52/05/62/1041520562.db2.gz LQXLWLVEDNVAIX-UHFFFAOYSA-N 1 1 308.347 4.343 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000811481746 1041521087 /nfs/dbraw/zinc/52/10/87/1041521087.db2.gz LSPIHNPKQWQRRW-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637800 1041538789 /nfs/dbraw/zinc/53/87/89/1041538789.db2.gz CXDDQXWRARFMAZ-LLGFUMIMSA-N 1 1 320.436 4.355 20 30 DIEDMO CN(c1ccccc1)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000590373297 1041540138 /nfs/dbraw/zinc/54/01/38/1041540138.db2.gz WQAGPDHKQFNTPM-UHFFFAOYSA-N 1 1 307.441 4.436 20 30 DIEDMO CN(c1ccccc1)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000590373297 1041540146 /nfs/dbraw/zinc/54/01/46/1041540146.db2.gz WQAGPDHKQFNTPM-UHFFFAOYSA-N 1 1 307.441 4.436 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC001170639547 1041546499 /nfs/dbraw/zinc/54/64/99/1041546499.db2.gz QGKNKXSICKJGJY-SIFCLUCFSA-N 1 1 308.400 4.464 20 30 DIEDMO CCCC[N@@H+](CCOc1cccc(C#N)c1)C1CCCCC1 ZINC001170640445 1041551184 /nfs/dbraw/zinc/55/11/84/1041551184.db2.gz XNBAPSSSZIDODC-UHFFFAOYSA-N 1 1 300.446 4.372 20 30 DIEDMO C=C(C)COCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925529994 1041554838 /nfs/dbraw/zinc/55/48/38/1041554838.db2.gz AJLWWVNDLYVCNV-SFHVURJKSA-N 1 1 316.832 4.007 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190195736 1041580138 /nfs/dbraw/zinc/58/01/38/1041580138.db2.gz FZYXDLUZSMPZTN-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000190195736 1041580149 /nfs/dbraw/zinc/58/01/49/1041580149.db2.gz FZYXDLUZSMPZTN-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO C=CCCCCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812778827 1041647166 /nfs/dbraw/zinc/64/71/66/1041647166.db2.gz PHYXAECRIJSGLK-YLJYHZDGSA-N 1 1 316.489 4.190 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793102 1041651047 /nfs/dbraw/zinc/65/10/47/1041651047.db2.gz OHOKFLPXJYGJSQ-INIZCTEOSA-N 1 1 307.290 4.309 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187678959 1041661828 /nfs/dbraw/zinc/66/18/28/1041661828.db2.gz STUZYZXRHDVIAU-INIZCTEOSA-N 1 1 318.420 4.025 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)CCC1 ZINC000418144400 1041731141 /nfs/dbraw/zinc/73/11/41/1041731141.db2.gz TWJWCXVSZBWSPN-UHFFFAOYSA-N 1 1 306.409 4.049 20 30 DIEDMO CC(C)c1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418150552 1041732292 /nfs/dbraw/zinc/73/22/92/1041732292.db2.gz WFHNCWITLFXNDE-MRXNPFEDSA-N 1 1 311.454 4.305 20 30 DIEDMO Cc1c(C#N)c(NCCC[N@@H+]2CCCC[C@@H]2C)nc2ccccc12 ZINC001167751747 1041746369 /nfs/dbraw/zinc/74/63/69/1041746369.db2.gz NABNDZZSJWXNQY-HNNXBMFYSA-N 1 1 322.456 4.091 20 30 DIEDMO C=C(C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998017 1041747876 /nfs/dbraw/zinc/74/78/76/1041747876.db2.gz UJXJUUJYMDHMGL-UGKGYDQZSA-N 1 1 320.480 4.200 20 30 DIEDMO C=CC[N@@H+](CCOc1ccccc1C(C)=O)Cc1cccs1 ZINC000216831277 1041783976 /nfs/dbraw/zinc/78/39/76/1041783976.db2.gz CGRKYWBCBJDIOB-UHFFFAOYSA-N 1 1 315.438 4.018 20 30 DIEDMO C=CC[N@H+](CCOc1ccccc1C(C)=O)Cc1cccs1 ZINC000216831277 1041783982 /nfs/dbraw/zinc/78/39/82/1041783982.db2.gz CGRKYWBCBJDIOB-UHFFFAOYSA-N 1 1 315.438 4.018 20 30 DIEDMO COc1ccc(Cl)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000747928629 1041800206 /nfs/dbraw/zinc/80/02/06/1041800206.db2.gz IWWAMHQUQCIWSG-KRWDZBQOSA-N 1 1 314.816 4.483 20 30 DIEDMO CC1(C)[C@@H]2C[C@H]([N@H+](CCC#N)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001170762600 1041861299 /nfs/dbraw/zinc/86/12/99/1041861299.db2.gz WGJOICZXIOSPSW-BJWYYQGGSA-N 1 1 302.849 4.490 20 30 DIEDMO CC1(C)[C@@H]2C[C@H]([N@@H+](CCC#N)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001170762600 1041861305 /nfs/dbraw/zinc/86/13/05/1041861305.db2.gz WGJOICZXIOSPSW-BJWYYQGGSA-N 1 1 302.849 4.490 20 30 DIEDMO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1cc(F)c(N)c(F)c1 ZINC000814860756 1041878310 /nfs/dbraw/zinc/87/83/10/1041878310.db2.gz UUFYDWGFPAYNMS-UHFFFAOYSA-N 1 1 303.356 4.308 20 30 DIEDMO Clc1cccc(CN[NH+]=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000814867553 1041879283 /nfs/dbraw/zinc/87/92/83/1041879283.db2.gz JRMRJXZDPFZZDG-ZDUSSCGKSA-N 1 1 311.816 4.137 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ccccc3[C@H]2C)cc1 ZINC000093149407 1041883907 /nfs/dbraw/zinc/88/39/07/1041883907.db2.gz YCWQFSZKCALWQU-JKSUJKDBSA-N 1 1 306.409 4.097 20 30 DIEDMO CCOc1ccc(N[NH+]=C(C)c2ccc(N)cc2Cl)cc1 ZINC000814985263 1041901521 /nfs/dbraw/zinc/90/15/21/1041901521.db2.gz ZBRGQEFXYHGYCC-UHFFFAOYSA-N 1 1 303.793 4.157 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090716 1041909036 /nfs/dbraw/zinc/90/90/36/1041909036.db2.gz KUQQOOAJBOEXIJ-INWMFGNUSA-N 1 1 308.347 4.187 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(Cl)c3)o2)C1 ZINC000661379631 1041929734 /nfs/dbraw/zinc/92/97/34/1041929734.db2.gz FMXBYIJPEZMHPB-CYBMUJFWSA-N 1 1 317.820 4.178 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201355 1041933262 /nfs/dbraw/zinc/93/32/62/1041933262.db2.gz LHRQXWOKKOQRGY-DLBZAZTESA-N 1 1 322.493 4.064 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1O ZINC000815560464 1041962836 /nfs/dbraw/zinc/96/28/36/1041962836.db2.gz ILLZARZGGHJBJV-NSHDSACASA-N 1 1 320.314 4.133 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1O ZINC000815626942 1041977285 /nfs/dbraw/zinc/97/72/85/1041977285.db2.gz PCWQZEFUOWHLAZ-LLVKDONJSA-N 1 1 314.351 4.392 20 30 DIEDMO C[N@H+](Cc1ccc(F)cc1F)Cc1ccccc1C(C)(C)C#N ZINC000487376309 1042054774 /nfs/dbraw/zinc/05/47/74/1042054774.db2.gz IYSVLHABVFUMGV-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO C[N@@H+](Cc1ccc(F)cc1F)Cc1ccccc1C(C)(C)C#N ZINC000487376309 1042054776 /nfs/dbraw/zinc/05/47/76/1042054776.db2.gz IYSVLHABVFUMGV-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000662080058 1042057552 /nfs/dbraw/zinc/05/75/52/1042057552.db2.gz MNTLCLQGQGNXTF-CWRNSKLLSA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)Nc1c(C)cccc1C ZINC000662081631 1042057917 /nfs/dbraw/zinc/05/79/17/1042057917.db2.gz PRANTUDSJPHMBT-HDICACEKSA-N 1 1 312.457 4.205 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000662086308 1042059642 /nfs/dbraw/zinc/05/96/42/1042059642.db2.gz QTJLPVGZHZWZGP-BMFZPTHFSA-N 1 1 318.848 4.158 20 30 DIEDMO C=CCCn1cc(C[N@@H+](C(C)C)[C@@H](CC)c2ccccc2)nn1 ZINC000662105300 1042066124 /nfs/dbraw/zinc/06/61/24/1042066124.db2.gz OPDFXICSOMXIBK-IBGZPJMESA-N 1 1 312.461 4.216 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000816619701 1042075187 /nfs/dbraw/zinc/07/51/87/1042075187.db2.gz QZKADMQWYPHQDK-XLIONFOSSA-N 1 1 320.436 4.357 20 30 DIEDMO C=C(C)C[N@@H+](CC)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000302914103 1042123524 /nfs/dbraw/zinc/12/35/24/1042123524.db2.gz IHNJMSIYSWSHIP-UHFFFAOYSA-N 1 1 322.452 4.118 20 30 DIEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000302914103 1042123528 /nfs/dbraw/zinc/12/35/28/1042123528.db2.gz IHNJMSIYSWSHIP-UHFFFAOYSA-N 1 1 322.452 4.118 20 30 DIEDMO C=C(CC(C)C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001136163972 1042159414 /nfs/dbraw/zinc/15/94/14/1042159414.db2.gz CDFACGLDODZLKX-MRXNPFEDSA-N 1 1 314.473 4.459 20 30 DIEDMO CCCCCCCCC[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC001246086548 1042223159 /nfs/dbraw/zinc/22/31/59/1042223159.db2.gz DGIQLAMARPVYQV-JKSUJKDBSA-N 1 1 304.469 4.350 20 30 DIEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cccc(Cl)c1C#N ZINC001139692629 1042275416 /nfs/dbraw/zinc/27/54/16/1042275416.db2.gz BVIKOEVMFGTXJR-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000822525430 1042289131 /nfs/dbraw/zinc/28/91/31/1042289131.db2.gz GQODFAGBKFWFMB-JKSUJKDBSA-N 1 1 319.408 4.042 20 30 DIEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990256 1042291443 /nfs/dbraw/zinc/29/14/43/1042291443.db2.gz JSKJRWBZVARYAK-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822659121 1042296324 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CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC000823403929 1042324140 /nfs/dbraw/zinc/32/41/40/1042324140.db2.gz GMRGAZSMCOWISP-UHFFFAOYSA-N 1 1 317.795 4.156 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000823616879 1042335001 /nfs/dbraw/zinc/33/50/01/1042335001.db2.gz COIWQCWINXRXTI-KBXCAEBGSA-N 1 1 320.392 4.031 20 30 DIEDMO CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000112543354 1042340753 /nfs/dbraw/zinc/34/07/53/1042340753.db2.gz BZNRIKDBXKFYPL-HUUCEWRRSA-N 1 1 301.459 4.281 20 30 DIEDMO N#CCC[N@@H+](Cc1cc2ccnc(Cl)c2s1)CC1CC1 ZINC000894003931 1042401792 /nfs/dbraw/zinc/40/17/92/1042401792.db2.gz UZNBHPIMVJDYNU-UHFFFAOYSA-N 1 1 305.834 4.075 20 30 DIEDMO N#CCC[N@H+](Cc1cc2ccnc(Cl)c2s1)CC1CC1 ZINC000894003931 1042401794 /nfs/dbraw/zinc/40/17/94/1042401794.db2.gz UZNBHPIMVJDYNU-UHFFFAOYSA-N 1 1 305.834 4.075 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000614159693 1042418258 /nfs/dbraw/zinc/41/82/58/1042418258.db2.gz OKSPFZIGAAAQDL-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000614159693 1042418261 /nfs/dbraw/zinc/41/82/61/1042418261.db2.gz OKSPFZIGAAAQDL-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000614162899 1042419001 /nfs/dbraw/zinc/41/90/01/1042419001.db2.gz DJWHTHVGBPVPQT-IBGZPJMESA-N 1 1 304.437 4.477 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)cc1 ZINC000614163934 1042419079 /nfs/dbraw/zinc/41/90/79/1042419079.db2.gz LNDBVSFIKKSEBT-ZVBHREPYSA-N 1 1 308.469 4.498 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000614168827 1042419600 /nfs/dbraw/zinc/41/96/00/1042419600.db2.gz WOHLZENIGFIAGB-FQEVSTJZSA-N 1 1 322.452 4.043 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cc1C ZINC000614164678 1042419877 /nfs/dbraw/zinc/41/98/77/1042419877.db2.gz PKHBWNMFHFCDFV-UHFFFAOYSA-N 1 1 322.452 4.437 20 30 DIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000614179915 1042423360 /nfs/dbraw/zinc/42/33/60/1042423360.db2.gz RKZKUJANFMSWTI-ZDUSSCGKSA-N 1 1 314.816 4.461 20 30 DIEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000614185000 1042424813 /nfs/dbraw/zinc/42/48/13/1042424813.db2.gz FZBDMQYPZBDLAH-ZDUSSCGKSA-N 1 1 313.470 4.357 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614183905 1042424864 /nfs/dbraw/zinc/42/48/64/1042424864.db2.gz NECCMANXPGVRNW-CQSZACIVSA-N 1 1 313.470 4.180 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000614397734 1042490313 /nfs/dbraw/zinc/49/03/13/1042490313.db2.gz ZAXHVQLGNUIYTJ-ZDUSSCGKSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000614397734 1042490317 /nfs/dbraw/zinc/49/03/17/1042490317.db2.gz ZAXHVQLGNUIYTJ-ZDUSSCGKSA-N 1 1 300.352 4.338 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC000614395948 1042491228 /nfs/dbraw/zinc/49/12/28/1042491228.db2.gz CCIXLSTUHFXJAV-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000614402115 1042491760 /nfs/dbraw/zinc/49/17/60/1042491760.db2.gz KWDCLQVPVRDEOZ-LEWJYISDSA-N 1 1 315.420 4.138 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(C#N)cc1C)CC3 ZINC000614401974 1042492019 /nfs/dbraw/zinc/49/20/19/1042492019.db2.gz SSXXEDFCGMZUBT-UHFFFAOYSA-N 1 1 315.420 4.215 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(C#N)cc1C)CC3 ZINC000614401974 1042492023 /nfs/dbraw/zinc/49/20/23/1042492023.db2.gz SSXXEDFCGMZUBT-UHFFFAOYSA-N 1 1 315.420 4.215 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000729268255 1042517260 /nfs/dbraw/zinc/51/72/60/1042517260.db2.gz UDFRZOMBNTZHOP-HXUWFJFHSA-N 1 1 306.409 4.235 20 30 DIEDMO COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000151159127 1042530509 /nfs/dbraw/zinc/53/05/09/1042530509.db2.gz KCVODSONPFINRF-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000513402645 1042539416 /nfs/dbraw/zinc/53/94/16/1042539416.db2.gz YKLQNBYSHVNMLI-GOSISDBHSA-N 1 1 310.828 4.419 20 30 DIEDMO COCCCC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000419394112 1042541881 /nfs/dbraw/zinc/54/18/81/1042541881.db2.gz VTHBFPSQIAJTQY-UHFFFAOYSA-N 1 1 308.425 4.084 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2cc(Cl)ccc2Cl)CC1 ZINC000513512024 1042550189 /nfs/dbraw/zinc/55/01/89/1042550189.db2.gz MQZYMQNKXQBXME-UHFFFAOYSA-N 1 1 313.272 4.124 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000016420404 1042638937 /nfs/dbraw/zinc/63/89/37/1042638937.db2.gz DWJFCSLKSRTEON-QGZVFWFLSA-N 1 1 312.438 4.008 20 30 DIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423244283 1042702543 /nfs/dbraw/zinc/70/25/43/1042702543.db2.gz NSNFXJXNRYFZBL-MGPUTAFESA-N 1 1 307.441 4.032 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cncn1C(C)C)c1ccc(F)c(F)c1 ZINC000424167542 1042728569 /nfs/dbraw/zinc/72/85/69/1042728569.db2.gz HRQPYPHCXLHWKH-QGZVFWFLSA-N 1 1 305.372 4.149 20 30 DIEDMO C=C(C)C(C)(C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000424737738 1042751043 /nfs/dbraw/zinc/75/10/43/1042751043.db2.gz OMAWFULLMRHDDT-UHFFFAOYSA-N 1 1 300.446 4.199 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC(F)(F)C1 ZINC000513893550 1042760875 /nfs/dbraw/zinc/76/08/75/1042760875.db2.gz WADITGVHJXOGEM-QGZVFWFLSA-N 1 1 304.384 4.372 20 30 DIEDMO C=CCCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001269807437 1042770317 /nfs/dbraw/zinc/77/03/17/1042770317.db2.gz CYRRSIYPKLDUOP-KDURUIRLSA-N 1 1 320.521 4.093 20 30 DIEDMO CCc1oc2ccccc2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000514712775 1042788552 /nfs/dbraw/zinc/78/85/52/1042788552.db2.gz MXOBUHGCFUIPJH-UHFFFAOYSA-N 1 1 304.393 4.499 20 30 DIEDMO C=CC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001269960645 1042802059 /nfs/dbraw/zinc/80/20/59/1042802059.db2.gz QFKNZTXFPTUBKU-CADBVGFASA-N 1 1 320.521 4.090 20 30 DIEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001269961076 1042802236 /nfs/dbraw/zinc/80/22/36/1042802236.db2.gz UENWJGWMLQFOKR-RDGPPVDQSA-N 1 1 320.521 4.090 20 30 DIEDMO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](CC)CCCC ZINC001269960653 1042802246 /nfs/dbraw/zinc/80/22/46/1042802246.db2.gz QFKNZTXFPTUBKU-MKXGPGLRSA-N 1 1 320.521 4.090 20 30 DIEDMO C=CCC(C)(C)C(=O)N1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1 ZINC001269976790 1042806475 /nfs/dbraw/zinc/80/64/75/1042806475.db2.gz BESAUYDHTSPVOC-QGZVFWFLSA-N 1 1 320.521 4.092 20 30 DIEDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000515137910 1042810141 /nfs/dbraw/zinc/81/01/41/1042810141.db2.gz JMQYEDWTRLJRKF-MRXNPFEDSA-N 1 1 303.409 4.312 20 30 DIEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000515137910 1042810144 /nfs/dbraw/zinc/81/01/44/1042810144.db2.gz JMQYEDWTRLJRKF-MRXNPFEDSA-N 1 1 303.409 4.312 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511599 1042823273 /nfs/dbraw/zinc/82/32/73/1042823273.db2.gz OJWOQIOZXJIQGQ-SFHVURJKSA-N 1 1 312.363 4.044 20 30 DIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)C[C@@H](C#N)CCC#N ZINC000425539962 1042838119 /nfs/dbraw/zinc/83/81/19/1042838119.db2.gz NJSNUPMGJGTSQB-OAHLLOKOSA-N 1 1 323.362 4.013 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517054224 1042864365 /nfs/dbraw/zinc/86/43/65/1042864365.db2.gz DPUPLADTSKKYHE-KRWDZBQOSA-N 1 1 308.425 4.076 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc2c(cc1O)CCC2 ZINC000729469506 1042976710 /nfs/dbraw/zinc/97/67/10/1042976710.db2.gz BDNLRBGPTPXFQL-UHFFFAOYSA-N 1 1 300.446 4.033 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(F)c(F)c1 ZINC000519586526 1042980650 /nfs/dbraw/zinc/98/06/50/1042980650.db2.gz YMKKRYQTDKSHDI-IBGZPJMESA-N 1 1 314.379 4.256 20 30 DIEDMO COc1cc(C[N@@H+]([C@H](C)c2ccccc2)C2CC2)ccc1C#N ZINC000519790866 1043002363 /nfs/dbraw/zinc/00/23/63/1043002363.db2.gz PQDSQDQAOTVTQP-OAHLLOKOSA-N 1 1 306.409 4.292 20 30 DIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(Cl)c1 ZINC000141220741 1043020553 /nfs/dbraw/zinc/02/05/53/1043020553.db2.gz YDOAXSNSZKJKIN-UHFFFAOYSA-N 1 1 309.800 4.096 20 30 DIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1cccc(Cl)c1 ZINC000141220741 1043020559 /nfs/dbraw/zinc/02/05/59/1043020559.db2.gz YDOAXSNSZKJKIN-UHFFFAOYSA-N 1 1 309.800 4.096 20 30 DIEDMO CC(C)OC(=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000441167883 1043025412 /nfs/dbraw/zinc/02/54/12/1043025412.db2.gz NAMOLWMDWSVMBW-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO CC(C)OC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000441167883 1043025415 /nfs/dbraw/zinc/02/54/15/1043025415.db2.gz NAMOLWMDWSVMBW-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO C=CCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167995766 1043075993 /nfs/dbraw/zinc/07/59/93/1043075993.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 1 324.512 4.470 20 30 DIEDMO C=CCC[NH+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995766 1043076005 /nfs/dbraw/zinc/07/60/05/1043076005.db2.gz QBLOASHEFSFCPH-CBQGHPETSA-N 1 1 324.512 4.470 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000120563510 1043101424 /nfs/dbraw/zinc/10/14/24/1043101424.db2.gz RDENGJWAZHTHEY-HNNXBMFYSA-N 1 1 324.399 4.281 20 30 DIEDMO CC(C)(C)c1csc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000865556369 1043113628 /nfs/dbraw/zinc/11/36/28/1043113628.db2.gz DNHRASZJPDAZEO-UHFFFAOYSA-N 1 1 319.861 4.255 20 30 DIEDMO CC1CCC([N@H+](Cc2ccccc2C#N)C[C@@H]2CCCO2)CC1 ZINC000441468730 1043152999 /nfs/dbraw/zinc/15/29/99/1043152999.db2.gz UNTLKRXMEIQEAI-GQOXECLESA-N 1 1 312.457 4.118 20 30 DIEDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCC(C)(C)C#N ZINC000189510615 1043155490 /nfs/dbraw/zinc/15/54/90/1043155490.db2.gz KEXKMAINLQLUON-WMLDXEAASA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCC(C)(C)C#N ZINC000189510615 1043155491 /nfs/dbraw/zinc/15/54/91/1043155491.db2.gz KEXKMAINLQLUON-WMLDXEAASA-N 1 1 320.864 4.432 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866236120 1043163510 /nfs/dbraw/zinc/16/35/10/1043163510.db2.gz UIOVISZVVQWXQP-GJZGRUSLSA-N 1 1 324.424 4.463 20 30 DIEDMO C[C@@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1O ZINC000866322089 1043178943 /nfs/dbraw/zinc/17/89/43/1043178943.db2.gz SNZDCFILNISUAW-GFCCVEGCSA-N 1 1 312.800 4.257 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccccc2Cl)CC1)c1cccc(C#N)c1O ZINC000866381568 1043195542 /nfs/dbraw/zinc/19/55/42/1043195542.db2.gz RLLOEZCAHQGNLW-LBPRGKRZSA-N 1 1 312.800 4.257 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1(O)CCCCCC1 ZINC000614598709 1043227189 /nfs/dbraw/zinc/22/71/89/1043227189.db2.gz PJFGSDUFHCEDGB-UHFFFAOYSA-N 1 1 314.473 4.005 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)C(C)C ZINC000187258780 1043243168 /nfs/dbraw/zinc/24/31/68/1043243168.db2.gz RSEAJHKBJJJYDM-KRWDZBQOSA-N 1 1 313.832 4.402 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000187688789 1043248792 /nfs/dbraw/zinc/24/87/92/1043248792.db2.gz SUPPBKDCWVZDHB-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000187688789 1043248803 /nfs/dbraw/zinc/24/88/03/1043248803.db2.gz SUPPBKDCWVZDHB-ZDUSSCGKSA-N 1 1 311.454 4.087 20 30 DIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOCCC(F)(F)F ZINC000777456446 1043256659 /nfs/dbraw/zinc/25/66/59/1043256659.db2.gz ZKXXUTSDFPIKTE-UHFFFAOYSA-N 1 1 316.367 4.099 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000427895027 1043314014 /nfs/dbraw/zinc/31/40/14/1043314014.db2.gz RRGGNRANRMAEHG-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO Cc1cc(C)c(COC(=O)C[C@H](CC#N)c2ccccc2)c(C)[nH+]1 ZINC000869508755 1043318002 /nfs/dbraw/zinc/31/80/02/1043318002.db2.gz NSPCFDJSBZYNDV-SFHVURJKSA-N 1 1 322.408 4.138 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC001202528284 1043318472 /nfs/dbraw/zinc/31/84/72/1043318472.db2.gz BDEJEZYUROSPNY-YLJYHZDGSA-N 1 1 320.436 4.158 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC001202528282 1043318620 /nfs/dbraw/zinc/31/86/20/1043318620.db2.gz BDEJEZYUROSPNY-XLIONFOSSA-N 1 1 320.436 4.158 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000269430729 1043365992 /nfs/dbraw/zinc/36/59/92/1043365992.db2.gz PPZRMAHCPZJMKE-HNNXBMFYSA-N 1 1 301.459 4.459 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123650188 1043377977 /nfs/dbraw/zinc/37/79/77/1043377977.db2.gz NWSBZCNOUUVJEJ-OXJNMPFZSA-N 1 1 306.409 4.315 20 30 DIEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H](C)c1cccnc1 ZINC000521317911 1043386509 /nfs/dbraw/zinc/38/65/09/1043386509.db2.gz DSQQASYOXMDVRV-QGZVFWFLSA-N 1 1 323.440 4.347 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442802597 1043425561 /nfs/dbraw/zinc/42/55/61/1043425561.db2.gz QCZVWINNIIGHLY-INIZCTEOSA-N 1 1 312.438 4.138 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccc(C)s2)C(C)C)ccc1C#N ZINC000442808307 1043430168 /nfs/dbraw/zinc/43/01/68/1043430168.db2.gz HCNKVKHLDXGUML-UHFFFAOYSA-N 1 1 314.454 4.347 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)Cc1ccsc1 ZINC000442838865 1043433467 /nfs/dbraw/zinc/43/34/67/1043433467.db2.gz UFUDXMAZRHNDSU-AWEZNQCLSA-N 1 1 314.454 4.081 20 30 DIEDMO N#CCC[C@@H]([NH2+][C@@H]1CCc2c1nccc2Cl)c1ccccc1 ZINC000925600117 1043435035 /nfs/dbraw/zinc/43/50/35/1043435035.db2.gz FGKCHPRNDPORAN-IAGOWNOFSA-N 1 1 311.816 4.357 20 30 DIEDMO C[C@H](N[C@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602808 1043435147 /nfs/dbraw/zinc/43/51/47/1043435147.db2.gz XYMLOWHCNLSQLW-LAUBAEHRSA-N 1 1 321.468 4.444 20 30 DIEDMO N#CCC[C@H]([NH2+][C@H]1CCc2c1nccc2Cl)c1ccccc1 ZINC000925600118 1043436047 /nfs/dbraw/zinc/43/60/47/1043436047.db2.gz FGKCHPRNDPORAN-IRXDYDNUSA-N 1 1 311.816 4.357 20 30 DIEDMO COc1ccccc1[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000925643751 1043443386 /nfs/dbraw/zinc/44/33/86/1043443386.db2.gz HDCBQOKSOBQIIA-DNVCBOLYSA-N 1 1 323.440 4.098 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)ccc1C#N ZINC000442883373 1043447677 /nfs/dbraw/zinc/44/76/77/1043447677.db2.gz VAUPOSUBAMYBGQ-YOEHRIQHSA-N 1 1 310.397 4.133 20 30 DIEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC000925666585 1043450574 /nfs/dbraw/zinc/45/05/74/1043450574.db2.gz MSIIFCAQZMGIQX-RDTXWAMCSA-N 1 1 311.404 4.228 20 30 DIEDMO CC1(C#N)CCC([NH2+]CC(F)(F)c2ccc(F)cc2F)CC1 ZINC000872106694 1043461293 /nfs/dbraw/zinc/46/12/93/1043461293.db2.gz KHCMNALACDDLFF-UHFFFAOYSA-N 1 1 314.326 4.119 20 30 DIEDMO Cc1ccccc1C[N@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000521814379 1043477634 /nfs/dbraw/zinc/47/76/34/1043477634.db2.gz YGLSUWKZUFOMIW-UHFFFAOYSA-N 1 1 315.420 4.284 20 30 DIEDMO Cc1ccccc1C[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000521814379 1043477644 /nfs/dbraw/zinc/47/76/44/1043477644.db2.gz YGLSUWKZUFOMIW-UHFFFAOYSA-N 1 1 315.420 4.284 20 30 DIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](c2ccccc2C)C(C)C)no1 ZINC000872180659 1043484575 /nfs/dbraw/zinc/48/45/75/1043484575.db2.gz ABLZDKRHRZDQSC-CABCVRRESA-N 1 1 319.836 4.308 20 30 DIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(O[C@@H](C)CC)cc2)no1 ZINC000872174120 1043484590 /nfs/dbraw/zinc/48/45/90/1043484590.db2.gz DQHOPWLPNUKCNU-SMDDNHRTSA-N 1 1 321.808 4.056 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000349182727 1043497165 /nfs/dbraw/zinc/49/71/65/1043497165.db2.gz FZEVXSFTFDOHCH-MRXNPFEDSA-N 1 1 314.458 4.077 20 30 DIEDMO CSc1nnc(SC)n1[NH+]=C[C@@H](C)CC1CCCCC1 ZINC000872417396 1043497608 /nfs/dbraw/zinc/49/76/08/1043497608.db2.gz APLSKIPCXMFZAM-NSHDSACASA-N 1 1 312.508 4.162 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)c(C(F)(F)F)c1 ZINC000521946999 1043510408 /nfs/dbraw/zinc/51/04/08/1043510408.db2.gz QMCFKPYQPVFCPF-UHFFFAOYSA-N 1 1 308.347 4.484 20 30 DIEDMO Cc1cccc(C[N@H+](C)Cc2cccc(OCCCC#N)c2)c1 ZINC000349699929 1043520070 /nfs/dbraw/zinc/52/00/70/1043520070.db2.gz PJKWJPFWEDRAKL-UHFFFAOYSA-N 1 1 308.425 4.310 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3cc[nH]c32)C2CC2)cc1 ZINC000349921775 1043532357 /nfs/dbraw/zinc/53/23/57/1043532357.db2.gz SLHCJKKZEAFDSG-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350651384 1043549127 /nfs/dbraw/zinc/54/91/27/1043549127.db2.gz AQGDSCBUFJCLQV-UHFFFAOYSA-N 1 1 313.470 4.290 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCC2(O)CCC2)C(C)(C)C)cc1 ZINC001168018478 1043562627 /nfs/dbraw/zinc/56/26/27/1043562627.db2.gz QILAHXOUUMBMKR-UHFFFAOYSA-N 1 1 317.473 4.157 20 30 DIEDMO CC(C)Oc1ccc2ccccc2c1C[NH2+]C[C@H](C#N)CCC#N ZINC000558679098 1043570828 /nfs/dbraw/zinc/57/08/28/1043570828.db2.gz BNIQJRQKFBRLAR-INIZCTEOSA-N 1 1 321.424 4.160 20 30 DIEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H](C)CCC=C(C)C ZINC001275123334 1043576154 /nfs/dbraw/zinc/57/61/54/1043576154.db2.gz DPQGQMWCYZIYEO-GUDVDZBRSA-N 1 1 318.505 4.010 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(C#N)cc1F ZINC000190492791 1043583965 /nfs/dbraw/zinc/58/39/65/1043583965.db2.gz NRZFLBBSDKCCJN-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1csc(-c3ccco3)n1)CC2 ZINC000353260745 1043594445 /nfs/dbraw/zinc/59/44/45/1043594445.db2.gz GBWYLNISTDNCKW-INIZCTEOSA-N 1 1 321.405 4.052 20 30 DIEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(Cl)cc2)c2ccccn2)C1 ZINC000926617070 1043607490 /nfs/dbraw/zinc/60/74/90/1043607490.db2.gz WKNVVBBJKMKUHN-XCRHUMRWSA-N 1 1 311.816 4.106 20 30 DIEDMO CC[N@@H+](C[C@H](OC)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000558832469 1043612817 /nfs/dbraw/zinc/61/28/17/1043612817.db2.gz DARWTQGRBOAKAD-UZLBHIALSA-N 1 1 308.425 4.329 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001137089010 1043624571 /nfs/dbraw/zinc/62/45/71/1043624571.db2.gz XTJLPQXIOOUCOW-UHFFFAOYSA-N 1 1 303.409 4.208 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000125422365 1043626072 /nfs/dbraw/zinc/62/60/72/1043626072.db2.gz YRJIAIIPBFTYKE-INIZCTEOSA-N 1 1 306.409 4.142 20 30 DIEDMO C=CCCC[C@@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000926854961 1043642636 /nfs/dbraw/zinc/64/26/36/1043642636.db2.gz KDGIKVPIKYIJSA-CRAIPNDOSA-N 1 1 312.461 4.355 20 30 DIEDMO CC[N@@H+](CCCc1ccc(C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000474146300 1043656485 /nfs/dbraw/zinc/65/64/85/1043656485.db2.gz HVRPYLOFHIWKAK-KRWDZBQOSA-N 1 1 307.441 4.277 20 30 DIEDMO Cc1cc(F)c(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)c(F)c1 ZINC000927093933 1043685218 /nfs/dbraw/zinc/68/52/18/1043685218.db2.gz OUKQPOOXGXGSBM-ZDUSSCGKSA-N 1 1 316.351 4.026 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001307742642 1043693619 /nfs/dbraw/zinc/69/36/19/1043693619.db2.gz REGCGAXQAWWIAE-OTWHNJEPSA-N 1 1 311.510 4.395 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564023 1043707061 /nfs/dbraw/zinc/70/70/61/1043707061.db2.gz QMPIGZDWXRCQTF-AEFFLSMTSA-N 1 1 322.456 4.196 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001275336571 1043707765 /nfs/dbraw/zinc/70/77/65/1043707765.db2.gz FWIWZKFDUOSRIL-HXUWFJFHSA-N 1 1 320.521 4.093 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564025 1043708683 /nfs/dbraw/zinc/70/86/83/1043708683.db2.gz QMPIGZDWXRCQTF-SJLPKXTDSA-N 1 1 322.456 4.196 20 30 DIEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000876794967 1043710092 /nfs/dbraw/zinc/71/00/92/1043710092.db2.gz HZHZTLXPSOIRER-KKSFZXQISA-N 1 1 305.487 4.001 20 30 DIEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000876794965 1043710323 /nfs/dbraw/zinc/71/03/23/1043710323.db2.gz HZHZTLXPSOIRER-IERDGZPVSA-N 1 1 305.487 4.001 20 30 DIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3c2cccc3Cl)c1 ZINC000876973544 1043728183 /nfs/dbraw/zinc/72/81/83/1043728183.db2.gz JNXVDPBRJOVEHJ-HNNXBMFYSA-N 1 1 318.207 4.037 20 30 DIEDMO C=CCC[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000355038449 1043739688 /nfs/dbraw/zinc/73/96/88/1043739688.db2.gz FIJRSJMPOMSXSP-RBUKOAKNSA-N 1 1 314.473 4.075 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000355273263 1043755810 /nfs/dbraw/zinc/75/58/10/1043755810.db2.gz XFNAUSAFPUELGZ-GOSISDBHSA-N 1 1 322.452 4.319 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000355273263 1043755824 /nfs/dbraw/zinc/75/58/24/1043755824.db2.gz XFNAUSAFPUELGZ-GOSISDBHSA-N 1 1 322.452 4.319 20 30 DIEDMO CC(C)c1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)s1 ZINC000355350499 1043761998 /nfs/dbraw/zinc/76/19/98/1043761998.db2.gz CKJNMYDYXZTKPP-UHFFFAOYSA-N 1 1 323.465 4.427 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1Cl ZINC000087759886 1043781242 /nfs/dbraw/zinc/78/12/42/1043781242.db2.gz FTRIYMAHVGTVLC-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1Cl ZINC000087759886 1043781251 /nfs/dbraw/zinc/78/12/51/1043781251.db2.gz FTRIYMAHVGTVLC-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929162038 1043795940 /nfs/dbraw/zinc/79/59/40/1043795940.db2.gz DSXIXAULXKGUND-QZTJIDSGSA-N 1 1 312.363 4.039 20 30 DIEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877813392 1043799558 /nfs/dbraw/zinc/79/95/58/1043799558.db2.gz YNYAGKKWLAKWNN-HNNXBMFYSA-N 1 1 308.347 4.016 20 30 DIEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000929338430 1043811372 /nfs/dbraw/zinc/81/13/72/1043811372.db2.gz UGLHJMDNUDVZCA-CQSZACIVSA-N 1 1 305.381 4.283 20 30 DIEDMO CCC[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036924 1043820166 /nfs/dbraw/zinc/82/01/66/1043820166.db2.gz WCSVANUSWMYTCX-PIKOESSRSA-N 1 1 313.489 4.100 20 30 DIEDMO C=CC[C@H](C)[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000877919998 1043825562 /nfs/dbraw/zinc/82/55/62/1043825562.db2.gz AKENBNRVLGFFRK-NSHDSACASA-N 1 1 315.244 4.218 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000929656716 1043832433 /nfs/dbraw/zinc/83/24/33/1043832433.db2.gz QJVFKVCRHLTLIK-LEOMRAHMSA-N 1 1 300.471 4.106 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929691689 1043832820 /nfs/dbraw/zinc/83/28/20/1043832820.db2.gz IXMUHKOKIHOEQH-HZPDHXFCSA-N 1 1 306.400 4.297 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000929691689 1043832836 /nfs/dbraw/zinc/83/28/36/1043832836.db2.gz IXMUHKOKIHOEQH-HZPDHXFCSA-N 1 1 306.400 4.297 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929691556 1043833574 /nfs/dbraw/zinc/83/35/74/1043833574.db2.gz ZJLNVHIFDQJRJP-KRWDZBQOSA-N 1 1 312.457 4.349 20 30 DIEDMO C#CCCCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000877990078 1043837489 /nfs/dbraw/zinc/83/74/89/1043837489.db2.gz NGILNWPNWWSPSF-TXEJJXNPSA-N 1 1 315.301 4.243 20 30 DIEDMO CC(C)C[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(C#N)cc1 ZINC000878010798 1043840543 /nfs/dbraw/zinc/84/05/43/1043840543.db2.gz RVMBPZRBTBKFEE-UHFFFAOYSA-N 1 1 323.440 4.083 20 30 DIEDMO CC(C)C[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(C#N)cc1 ZINC000878010798 1043840552 /nfs/dbraw/zinc/84/05/52/1043840552.db2.gz RVMBPZRBTBKFEE-UHFFFAOYSA-N 1 1 323.440 4.083 20 30 DIEDMO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](c2ccsc2)O1 ZINC000929831209 1043845255 /nfs/dbraw/zinc/84/52/55/1043845255.db2.gz DFJHPLBLJBEWPZ-WBVHZDCISA-N 1 1 318.486 4.374 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](c2ccsc2)O1 ZINC000929831209 1043845266 /nfs/dbraw/zinc/84/52/66/1043845266.db2.gz DFJHPLBLJBEWPZ-WBVHZDCISA-N 1 1 318.486 4.374 20 30 DIEDMO CC[C@H]1CCCCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878123531 1043847249 /nfs/dbraw/zinc/84/72/49/1043847249.db2.gz BBWJJMSGEBIWKF-PMACEKPBSA-N 1 1 312.457 4.082 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000929877056 1043850157 /nfs/dbraw/zinc/85/01/57/1043850157.db2.gz YANAKBSRJFBVFO-OFLPRAFFSA-N 1 1 323.440 4.337 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCc3[nH]c4ccccc4c3C2)CCC1 ZINC000929966738 1043858887 /nfs/dbraw/zinc/85/88/87/1043858887.db2.gz GWFFILXKPYBWFC-UHFFFAOYSA-N 1 1 307.441 4.390 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1nccs1 ZINC000929990162 1043861065 /nfs/dbraw/zinc/86/10/65/1043861065.db2.gz CXTUNTGWRNFPSS-OAHLLOKOSA-N 1 1 305.834 4.083 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000930018477 1043869429 /nfs/dbraw/zinc/86/94/29/1043869429.db2.gz OVWUOMVXELTWMJ-UYSNPLJNSA-N 1 1 316.470 4.115 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC000930096445 1043875830 /nfs/dbraw/zinc/87/58/30/1043875830.db2.gz QFSSEKDKFBIAQT-ZDUSSCGKSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930096445 1043875852 /nfs/dbraw/zinc/87/58/52/1043875852.db2.gz QFSSEKDKFBIAQT-ZDUSSCGKSA-N 1 1 314.458 4.035 20 30 DIEDMO C=CC[N@H+](Cc1cncc(-c2cc(F)ccc2OC)c1)C1CC1 ZINC000930176057 1043886848 /nfs/dbraw/zinc/88/68/48/1043886848.db2.gz PTAHBYDELIJNNP-UHFFFAOYSA-N 1 1 312.388 4.047 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000930299675 1043910938 /nfs/dbraw/zinc/91/09/38/1043910938.db2.gz IILLPFDVIXHWHE-OTWHNJEPSA-N 1 1 318.505 4.256 20 30 DIEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000878660891 1043911319 /nfs/dbraw/zinc/91/13/19/1043911319.db2.gz ONYZPKUICYOFPZ-VBKZILBWSA-N 1 1 319.408 4.342 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000522469887 1043913045 /nfs/dbraw/zinc/91/30/45/1043913045.db2.gz SQRVCWIPPXZYQC-AEFFLSMTSA-N 1 1 315.420 4.189 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@H]1C1CCC1)c1ccccc1 ZINC000878771567 1043918324 /nfs/dbraw/zinc/91/83/24/1043918324.db2.gz OYPJGCSWIWRNEV-LEWJYISDSA-N 1 1 324.468 4.082 20 30 DIEDMO CC(C)([NH2+]Cc1cc(C(F)(F)F)co1)c1cccc(C#N)c1 ZINC000878888336 1043926373 /nfs/dbraw/zinc/92/63/73/1043926373.db2.gz NMLRIRFFRYWOOX-UHFFFAOYSA-N 1 1 308.303 4.195 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878914964 1043929538 /nfs/dbraw/zinc/92/95/38/1043929538.db2.gz MWCFVGLDLPBXEQ-OAHLLOKOSA-N 1 1 312.413 4.138 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000879009445 1043936733 /nfs/dbraw/zinc/93/67/33/1043936733.db2.gz YJAUPFRCBWNRDL-JBACZVJFSA-N 1 1 324.468 4.082 20 30 DIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001141903251 1043957825 /nfs/dbraw/zinc/95/78/25/1043957825.db2.gz XHFKPUAHQBFDSP-MLGOLLRUSA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001141903251 1043957831 /nfs/dbraw/zinc/95/78/31/1043957831.db2.gz XHFKPUAHQBFDSP-MLGOLLRUSA-N 1 1 319.246 4.085 20 30 DIEDMO C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433941 1043964589 /nfs/dbraw/zinc/96/45/89/1043964589.db2.gz KUAMCCHPVBCOOD-CQSZACIVSA-N 1 1 311.429 4.079 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc(Br)c1 ZINC001308589336 1043980255 /nfs/dbraw/zinc/98/02/55/1043980255.db2.gz CLVNBFRYOGONBD-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc(Br)c1 ZINC001308589336 1043980261 /nfs/dbraw/zinc/98/02/61/1043980261.db2.gz CLVNBFRYOGONBD-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)CCC1 ZINC000931024695 1043982794 /nfs/dbraw/zinc/98/27/94/1043982794.db2.gz IRQOXYAFWPVEBN-MSOLQXFVSA-N 1 1 304.478 4.132 20 30 DIEDMO CC[C@H](C)n1ncc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000329496462 1043992000 /nfs/dbraw/zinc/99/20/00/1043992000.db2.gz JATNAKOYUMTNDA-DZGCQCFKSA-N 1 1 306.454 4.015 20 30 DIEDMO CCC1([NH+]2CCCC2)CCN(CCCCC2(C#N)CCC2)CC1 ZINC000931466193 1044031492 /nfs/dbraw/zinc/03/14/92/1044031492.db2.gz VKOHRMUTBZYZJU-UHFFFAOYSA-N 1 1 317.521 4.191 20 30 DIEDMO CC[N@@H+](Cc1cc(C)c(O)c(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000561943214 1044032033 /nfs/dbraw/zinc/03/20/33/1044032033.db2.gz LHMSQZRYHVNKBB-MRXNPFEDSA-N 1 1 308.425 4.464 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1ncnn1CC(C)C)c1ccccc1 ZINC000880389487 1044037001 /nfs/dbraw/zinc/03/70/01/1044037001.db2.gz HJGCDDUYMOSRJT-SFHVURJKSA-N 1 1 312.461 4.121 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC000880388165 1044038577 /nfs/dbraw/zinc/03/85/77/1044038577.db2.gz IVLQPENDXGSXPR-KRWDZBQOSA-N 1 1 316.470 4.477 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)[nH]n1 ZINC000931609109 1044050259 /nfs/dbraw/zinc/05/02/59/1044050259.db2.gz ZTKKPFQUKXFLFZ-JCYILVPMSA-N 1 1 314.477 4.042 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)n[nH]1 ZINC000931609109 1044050275 /nfs/dbraw/zinc/05/02/75/1044050275.db2.gz ZTKKPFQUKXFLFZ-JCYILVPMSA-N 1 1 314.477 4.042 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n[nH]1 ZINC000931609109 1044050288 /nfs/dbraw/zinc/05/02/88/1044050288.db2.gz ZTKKPFQUKXFLFZ-JCYILVPMSA-N 1 1 314.477 4.042 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000358565437 1044082666 /nfs/dbraw/zinc/08/26/66/1044082666.db2.gz ZDGOQMUOTMJDRT-IFXJQAMLSA-N 1 1 307.372 4.393 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000798935490 1044091544 /nfs/dbraw/zinc/09/15/44/1044091544.db2.gz PNBUBLMGCYWVJW-WOJBJXKFSA-N 1 1 300.490 4.233 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199482 1044109339 /nfs/dbraw/zinc/10/93/39/1044109339.db2.gz ROUUPQOOFAKWAM-GDBMZVCRSA-N 1 1 311.454 4.030 20 30 DIEDMO N#CCC1CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000562471099 1044117971 /nfs/dbraw/zinc/11/79/71/1044117971.db2.gz MTPWFVZFYFXOEZ-UHFFFAOYSA-N 1 1 303.475 4.316 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cc(F)ccc1OC ZINC000932472073 1044133604 /nfs/dbraw/zinc/13/36/04/1044133604.db2.gz FILDNMZPSVRDQE-MRXNPFEDSA-N 1 1 316.351 4.086 20 30 DIEDMO COCC[N@@H+](CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778359 1044142510 /nfs/dbraw/zinc/14/25/10/1044142510.db2.gz INCRNXMWNZNUBW-CYBMUJFWSA-N 1 1 314.351 4.019 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346984266 1044180839 /nfs/dbraw/zinc/18/08/39/1044180839.db2.gz CBIJBACWJWONPY-LJQANCHMSA-N 1 1 305.425 4.220 20 30 DIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166902 1044203934 /nfs/dbraw/zinc/20/39/34/1044203934.db2.gz MGADUJGCTQPXIF-UGSOOPFHSA-N 1 1 311.816 4.190 20 30 DIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166902 1044203955 /nfs/dbraw/zinc/20/39/55/1044203955.db2.gz MGADUJGCTQPXIF-UGSOOPFHSA-N 1 1 311.816 4.190 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000347243953 1044214140 /nfs/dbraw/zinc/21/41/40/1044214140.db2.gz CXUJLWDMVLHNHW-WMLDXEAASA-N 1 1 310.397 4.133 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796333387 1044219466 /nfs/dbraw/zinc/21/94/66/1044219466.db2.gz KOICCJWAFCUVCS-CABCVRRESA-N 1 1 309.416 4.230 20 30 DIEDMO CCCN(CCC#N)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168055689 1044264392 /nfs/dbraw/zinc/26/43/92/1044264392.db2.gz XOZBHUQRAQLKGN-OPVJXMOQSA-N 1 1 313.489 4.054 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001253233947 1044313037 /nfs/dbraw/zinc/31/30/37/1044313037.db2.gz QTBCQLIDUACMSJ-CYBMUJFWSA-N 1 1 316.898 4.116 20 30 DIEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1F)c1ccc(OCC#N)cc1 ZINC000883376599 1044288818 /nfs/dbraw/zinc/28/88/18/1044288818.db2.gz OQDBHYZCFJPBIM-GKCIPKSASA-N 1 1 324.399 4.265 20 30 DIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1c3ccccc3CC[C@@H]1F)CC2 ZINC000883377008 1044290194 /nfs/dbraw/zinc/29/01/94/1044290194.db2.gz XRICYDNKLHHGCS-ZCNNSNEGSA-N 1 1 306.384 4.161 20 30 DIEDMO N#CC1(c2ccc(C[NH2+][C@@H]3c4ccccc4CC[C@H]3F)cc2)CC1 ZINC000883381957 1044293745 /nfs/dbraw/zinc/29/37/45/1044293745.db2.gz WZEGRQONLJJBGQ-WOJBJXKFSA-N 1 1 320.411 4.357 20 30 DIEDMO CCc1cnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360662181 1044296745 /nfs/dbraw/zinc/29/67/45/1044296745.db2.gz FJETVYHXXIPKNV-KRWDZBQOSA-N 1 1 311.454 4.134 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001253233947 1044313032 /nfs/dbraw/zinc/31/30/32/1044313032.db2.gz QTBCQLIDUACMSJ-CYBMUJFWSA-N 1 1 316.898 4.116 20 30 DIEDMO N#Cc1ccc(OCC[N@H+]2CCCCC[C@@H]2c2ccco2)cc1 ZINC000523011179 1044328061 /nfs/dbraw/zinc/32/80/61/1044328061.db2.gz GTUGWQHTERCNOX-GOSISDBHSA-N 1 1 310.397 4.147 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)CC(C)(C)C ZINC000361015886 1044348097 /nfs/dbraw/zinc/34/80/97/1044348097.db2.gz DQKQLGJZTNCZTN-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000564407951 1044376285 /nfs/dbraw/zinc/37/62/85/1044376285.db2.gz QFDASWVTBHGTGS-KRWDZBQOSA-N 1 1 315.417 4.175 20 30 DIEDMO Cc1[nH+]cn(-c2ccc(NCc3ccc(C#N)s3)cc2)c1C ZINC000361237099 1044381476 /nfs/dbraw/zinc/38/14/76/1044381476.db2.gz NHXSEIBYRGRPSF-UHFFFAOYSA-N 1 1 308.410 4.034 20 30 DIEDMO C=CCOc1cccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)c1 ZINC000564533320 1044389597 /nfs/dbraw/zinc/38/95/97/1044389597.db2.gz TZHOPZATCQIENQ-QGZVFWFLSA-N 1 1 303.446 4.031 20 30 DIEDMO C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564718450 1044400628 /nfs/dbraw/zinc/40/06/28/1044400628.db2.gz JHHAXDBCNIPLLE-HKUYNNGSSA-N 1 1 300.490 4.089 20 30 DIEDMO Cc1ccccc1C1CC([N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)C1 ZINC000361546579 1044416527 /nfs/dbraw/zinc/41/65/27/1044416527.db2.gz CERQYAIARYCYLA-UHFFFAOYSA-N 1 1 319.452 4.116 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(N(C)C(C)C)nc1 ZINC000361564301 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N#Cc1ccc(C[N@@H+](Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC000529522538 1045490545 /nfs/dbraw/zinc/49/05/45/1045490545.db2.gz GOIQTWAAXBJSKD-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450455154 1045508217 /nfs/dbraw/zinc/50/82/17/1045508217.db2.gz UCZBIDCOKASTTD-UAGQMJEPSA-N 1 1 304.384 4.194 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000450455151 1045508421 /nfs/dbraw/zinc/50/84/21/1045508421.db2.gz UCZBIDCOKASTTD-DJIMGWMZSA-N 1 1 304.384 4.194 20 30 DIEDMO CCCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450677936 1045549990 /nfs/dbraw/zinc/54/99/90/1045549990.db2.gz RUXBDBXCZUBHPZ-OAHLLOKOSA-N 1 1 316.445 4.219 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000451147902 1045633256 /nfs/dbraw/zinc/63/32/56/1045633256.db2.gz PLGFQAUFHWWPIF-LOWVWBTDSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000451144734 1045633786 /nfs/dbraw/zinc/63/37/86/1045633786.db2.gz JJNOMRCLIUYEOI-MISXGVKJSA-N 1 1 314.326 4.249 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(C)ccc1OC ZINC000093405770 1045654995 /nfs/dbraw/zinc/65/49/95/1045654995.db2.gz GQHGJWCSOWIXEZ-SFHVURJKSA-N 1 1 312.388 4.255 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000752092375 1045658432 /nfs/dbraw/zinc/65/84/32/1045658432.db2.gz JPBKWSBHKMGAFO-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO Cn1cc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)cc1C#N ZINC000191405930 1045694899 /nfs/dbraw/zinc/69/48/99/1045694899.db2.gz MPWNSPBMFHYYAH-UHFFFAOYSA-N 1 1 313.404 4.099 20 30 DIEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000451554726 1045696446 /nfs/dbraw/zinc/69/64/46/1045696446.db2.gz AECJKXFCXIHILJ-IIBYNOLFSA-N 1 1 320.436 4.082 20 30 DIEDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1C ZINC000451554725 1045697505 /nfs/dbraw/zinc/69/75/05/1045697505.db2.gz AECJKXFCXIHILJ-IERDGZPVSA-N 1 1 320.436 4.082 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)CC[C@H]1C(F)(F)F ZINC000191661405 1045746014 /nfs/dbraw/zinc/74/60/14/1045746014.db2.gz BIESGLMFZWCOPV-GFCCVEGCSA-N 1 1 302.365 4.030 20 30 DIEDMO C=CC[N@H+](Cc1csc(CCc2ccccc2)n1)C(C)C ZINC000753389804 1045749242 /nfs/dbraw/zinc/74/92/42/1045749242.db2.gz YUKJIODNZVOSIX-UHFFFAOYSA-N 1 1 300.471 4.325 20 30 DIEDMO C=CC[N@@H+](Cc1csc(CCc2ccccc2)n1)C(C)C ZINC000753389804 1045749249 /nfs/dbraw/zinc/74/92/49/1045749249.db2.gz YUKJIODNZVOSIX-UHFFFAOYSA-N 1 1 300.471 4.325 20 30 DIEDMO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)cc1 ZINC000753586615 1045769361 /nfs/dbraw/zinc/76/93/61/1045769361.db2.gz BRJWONGIQZKMFT-PXNSSMCTSA-N 1 1 320.436 4.275 20 30 DIEDMO Cc1ccc([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)cc1 ZINC000753586618 1045770883 /nfs/dbraw/zinc/77/08/83/1045770883.db2.gz BRJWONGIQZKMFT-XLIONFOSSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191988230 1045771738 /nfs/dbraw/zinc/77/17/38/1045771738.db2.gz UFFIIEKJKUNTCX-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO CC(C)C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000753708414 1045792643 /nfs/dbraw/zinc/79/26/43/1045792643.db2.gz FLSVUBOKSSYEQL-UHFFFAOYSA-N 1 1 300.446 4.022 20 30 DIEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CCO[C@@H](C)C#N ZINC000801909964 1045834709 /nfs/dbraw/zinc/83/47/09/1045834709.db2.gz JCODFQLPSIEGIF-HNNXBMFYSA-N 1 1 314.429 4.136 20 30 DIEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000801915444 1045836188 /nfs/dbraw/zinc/83/61/88/1045836188.db2.gz LIKJPWWQZNHNTL-GJZGRUSLSA-N 1 1 300.402 4.134 20 30 DIEDMO C[C@H](c1cccs1)[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801916405 1045838137 /nfs/dbraw/zinc/83/81/37/1045838137.db2.gz XJMSLIONZXVETH-JKSUJKDBSA-N 1 1 314.454 4.240 20 30 DIEDMO CC(C)(C)SCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000801925275 1045846381 /nfs/dbraw/zinc/84/63/81/1045846381.db2.gz KORJZIMLUUWGQL-SJORKVTESA-N 1 1 302.487 4.290 20 30 DIEDMO C=C(C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000452719149 1045854642 /nfs/dbraw/zinc/85/46/42/1045854642.db2.gz SEGUSZVEDLHORZ-UHFFFAOYSA-N 1 1 322.452 4.015 20 30 DIEDMO CCCCCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001125163276 1045864277 /nfs/dbraw/zinc/86/42/77/1045864277.db2.gz RALSXHUYNVKTLQ-SFHVURJKSA-N 1 1 314.473 4.358 20 30 DIEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)CC1 ZINC001137639612 1045913349 /nfs/dbraw/zinc/91/33/49/1045913349.db2.gz DWLOERFGLRQEMO-NNUKFRKNSA-N 1 1 321.262 4.331 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Br)[C@@H](C)CC ZINC001137632831 1045914177 /nfs/dbraw/zinc/91/41/77/1045914177.db2.gz LSGACRGSDRWDMM-LBPRGKRZSA-N 1 1 309.251 4.331 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nc2ccccc2s1 ZINC000754709365 1045916678 /nfs/dbraw/zinc/91/66/78/1045916678.db2.gz GIDGGVCMTFIYML-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)c(O)c(C(C)(C)C)c1 ZINC000754723314 1045919753 /nfs/dbraw/zinc/91/97/53/1045919753.db2.gz OCSWBPUAVJZVHH-UHFFFAOYSA-N 1 1 318.461 4.070 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726463 1045920906 /nfs/dbraw/zinc/92/09/06/1045920906.db2.gz PFFPUTAMYQPGBA-SFHVURJKSA-N 1 1 309.409 4.076 20 30 DIEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001137699593 1045938001 /nfs/dbraw/zinc/93/80/01/1045938001.db2.gz MTAZJEMOLLYQLB-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001137699593 1045938013 /nfs/dbraw/zinc/93/80/13/1045938013.db2.gz MTAZJEMOLLYQLB-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c(C#N)c1 ZINC001137703622 1045941774 /nfs/dbraw/zinc/94/17/74/1045941774.db2.gz RDKFMBFGOCSTHE-SFHVURJKSA-N 1 1 320.436 4.022 20 30 DIEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000755196806 1045962299 /nfs/dbraw/zinc/96/22/99/1045962299.db2.gz YSQURZVHPKQUQW-VKAVYKQESA-N 1 1 306.409 4.124 20 30 DIEDMO N#Cc1cccc(C2CC[NH+](Cc3scnc3Cl)CC2)c1 ZINC001137822827 1045974903 /nfs/dbraw/zinc/97/49/03/1045974903.db2.gz JTTMMPBTCDSQAM-UHFFFAOYSA-N 1 1 317.845 4.048 20 30 DIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cccc(C#N)c2)c2ccccn21 ZINC000755626038 1046003666 /nfs/dbraw/zinc/00/36/66/1046003666.db2.gz IUKOMKMMKCYVIC-KTKRTIGZSA-N 1 1 315.376 4.225 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902750166 1046058345 /nfs/dbraw/zinc/05/83/45/1046058345.db2.gz BDNQQLCRSPNDDR-HUUCEWRRSA-N 1 1 309.413 4.152 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1OC1CCCC1)c1cc(C#N)ccn1 ZINC000902755618 1046060290 /nfs/dbraw/zinc/06/02/90/1046060290.db2.gz SMZGIUQGWBUNDO-HNNXBMFYSA-N 1 1 321.424 4.125 20 30 DIEDMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902756089 1046063232 /nfs/dbraw/zinc/06/32/32/1046063232.db2.gz BMYCJZFOWHTKJY-DYVFJYSZSA-N 1 1 309.413 4.219 20 30 DIEDMO COc1ccc(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000779786060 1046065950 /nfs/dbraw/zinc/06/59/50/1046065950.db2.gz YCWJLSKTSDQJLY-GOSISDBHSA-N 1 1 323.440 4.005 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902784300 1046068277 /nfs/dbraw/zinc/06/82/77/1046068277.db2.gz SJUGWWXRVWCLFW-PBHICJAKSA-N 1 1 309.413 4.154 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051571 1046075750 /nfs/dbraw/zinc/07/57/50/1046075750.db2.gz AMTAITUYGVRESD-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051571 1046075763 /nfs/dbraw/zinc/07/57/63/1046075763.db2.gz AMTAITUYGVRESD-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC001138086855 1046087254 /nfs/dbraw/zinc/08/72/54/1046087254.db2.gz SCVCDCZSEVBRGQ-UHFFFAOYSA-N 1 1 301.739 4.204 20 30 DIEDMO COc1ccccc1-c1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779810973 1046089310 /nfs/dbraw/zinc/08/93/10/1046089310.db2.gz MSSFUKPOLWGBJK-UHFFFAOYSA-N 1 1 317.392 4.015 20 30 DIEDMO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cc(F)ccc1F ZINC000902870354 1046095605 /nfs/dbraw/zinc/09/56/05/1046095605.db2.gz CKABLSNBZLJBRE-BDJLRTHQSA-N 1 1 301.340 4.033 20 30 DIEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@@H](C)c1cc(C#N)ccn1 ZINC000902898927 1046104026 /nfs/dbraw/zinc/10/40/26/1046104026.db2.gz XZHYPBCVFZNCRT-HNNXBMFYSA-N 1 1 306.413 4.035 20 30 DIEDMO CC[N@H+](Cc1cc(F)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000195594383 1046124321 /nfs/dbraw/zinc/12/43/21/1046124321.db2.gz QSWCVHHGFGPXJK-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1F)[C@H](C)c1ccc(C#N)cc1 ZINC000195594383 1046124328 /nfs/dbraw/zinc/12/43/28/1046124328.db2.gz QSWCVHHGFGPXJK-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO C[N@@H+]1Cc2ccccc2[C@@H](/N=C/c2c(O)ccc3ccccc32)C1 ZINC000756841208 1046141730 /nfs/dbraw/zinc/14/17/30/1046141730.db2.gz POMSURSEMXGRRG-CNSRZQHFSA-N 1 1 316.404 4.151 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000903035246 1046144400 /nfs/dbraw/zinc/14/44/00/1046144400.db2.gz MHQRUNHJYHPMHE-JTQLQIEISA-N 1 1 300.299 4.189 20 30 DIEDMO C[N@H+](Cc1cncs1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336501 1046152900 /nfs/dbraw/zinc/15/29/00/1046152900.db2.gz TUYRYQXWXQOBNH-UHFFFAOYSA-N 1 1 318.445 4.175 20 30 DIEDMO C[N@@H+](Cc1cncs1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336501 1046152904 /nfs/dbraw/zinc/15/29/04/1046152904.db2.gz TUYRYQXWXQOBNH-UHFFFAOYSA-N 1 1 318.445 4.175 20 30 DIEDMO CC[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000903081720 1046158914 /nfs/dbraw/zinc/15/89/14/1046158914.db2.gz XKSROMWASLVQRE-ROUUACIJSA-N 1 1 300.352 4.449 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1 ZINC000756998521 1046159871 /nfs/dbraw/zinc/15/98/71/1046159871.db2.gz XLYOXLKZCLEJKH-MRXNPFEDSA-N 1 1 308.406 4.257 20 30 DIEDMO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CCCC1 ZINC000903108599 1046164917 /nfs/dbraw/zinc/16/49/17/1046164917.db2.gz FBGXHSRCZZYEDN-HXUWFJFHSA-N 1 1 319.452 4.429 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2cc(Br)ccc2o1 ZINC000903106736 1046165728 /nfs/dbraw/zinc/16/57/28/1046165728.db2.gz URTZBSNPIGFUTD-SNVBAGLBSA-N 1 1 319.202 4.150 20 30 DIEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)ccc1SC ZINC000903107885 1046166203 /nfs/dbraw/zinc/16/62/03/1046166203.db2.gz HHUZWULMNNYHTK-ZDUSSCGKSA-N 1 1 304.459 4.152 20 30 DIEDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108878 1046167168 /nfs/dbraw/zinc/16/71/68/1046167168.db2.gz INYNGPYRHKAKFN-LBPRGKRZSA-N 1 1 319.430 4.051 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(CC2CCC2)c1 ZINC000903127254 1046169390 /nfs/dbraw/zinc/16/93/90/1046169390.db2.gz HKTGNVWPYGINRQ-UZLBHIALSA-N 1 1 322.456 4.379 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(Cl)c1 ZINC000903190163 1046188006 /nfs/dbraw/zinc/18/80/06/1046188006.db2.gz PMVDDCDCAVXKOW-INIZCTEOSA-N 1 1 318.852 4.057 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000610271636 1046202991 /nfs/dbraw/zinc/20/29/91/1046202991.db2.gz JECNDGCJXVYZDC-AWEZNQCLSA-N 1 1 319.191 4.088 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000610271638 1046203388 /nfs/dbraw/zinc/20/33/88/1046203388.db2.gz JECNDGCJXVYZDC-CQSZACIVSA-N 1 1 319.191 4.088 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2)cc1 ZINC001138516684 1046209552 /nfs/dbraw/zinc/20/95/52/1046209552.db2.gz PHLWYMAJXNQKSR-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1 ZINC000903262234 1046211975 /nfs/dbraw/zinc/21/19/75/1046211975.db2.gz BPNYTXDKNFCWEG-HNNXBMFYSA-N 1 1 317.845 4.465 20 30 DIEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC(C)(C)C)cc1 ZINC000903263898 1046213286 /nfs/dbraw/zinc/21/32/86/1046213286.db2.gz OWGJRHVXARQRBA-LBPRGKRZSA-N 1 1 315.442 4.043 20 30 DIEDMO CC1(C)C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2S1 ZINC000903264030 1046213386 /nfs/dbraw/zinc/21/33/86/1046213386.db2.gz QPBDVFZTUJIRJH-ZDUSSCGKSA-N 1 1 315.467 4.120 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)s1 ZINC001138531394 1046214765 /nfs/dbraw/zinc/21/47/65/1046214765.db2.gz KKQMWSOFQXSSNO-MKZZRHPPSA-N 1 1 309.438 4.077 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC001138556184 1046225936 /nfs/dbraw/zinc/22/59/36/1046225936.db2.gz JEWOJWZGQDVMIE-HXUWFJFHSA-N 1 1 309.384 4.175 20 30 DIEDMO C=CC[N@H+](Cc1c[nH]c2cc(OC)ccc12)Cc1ccccc1 ZINC001138590579 1046236206 /nfs/dbraw/zinc/23/62/06/1046236206.db2.gz SSKBCBNDZUMPOY-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)(C)C ZINC000903329637 1046240620 /nfs/dbraw/zinc/24/06/20/1046240620.db2.gz SPDLJUPMSVRFFU-LIRRHRJNSA-N 1 1 323.440 4.405 20 30 DIEDMO CC(=[NH+]NCc1ccc(Cl)cc1Cl)c1ccc(N)cc1C ZINC000758105569 1046245584 /nfs/dbraw/zinc/24/55/84/1046245584.db2.gz CWYJIKBYUDNMMH-UHFFFAOYSA-N 1 1 322.239 4.398 20 30 DIEDMO C=CCc1cccc(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)c1O ZINC001138629496 1046246213 /nfs/dbraw/zinc/24/62/13/1046246213.db2.gz AXMKTTADDAPERS-UHFFFAOYSA-N 1 1 324.468 4.209 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1O ZINC001138629221 1046246539 /nfs/dbraw/zinc/24/65/39/1046246539.db2.gz QXCDFSCGOKIRIK-MRXNPFEDSA-N 1 1 311.400 4.249 20 30 DIEDMO C=CCc1cccc(C[N@H+](C)[C@@H](C)c2ccccc2OC)c1O ZINC001138628626 1046247207 /nfs/dbraw/zinc/24/72/07/1046247207.db2.gz ZBWRUUDAYMQHBY-HNNXBMFYSA-N 1 1 311.425 4.322 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)c1O ZINC001138630071 1046248856 /nfs/dbraw/zinc/24/88/56/1046248856.db2.gz PWPKUPRRGNIFNF-LJQANCHMSA-N 1 1 308.425 4.161 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3)C2)c1O ZINC001138630096 1046249738 /nfs/dbraw/zinc/24/97/38/1046249738.db2.gz QUBDGPVVIIVVDJ-GOSISDBHSA-N 1 1 323.436 4.119 20 30 DIEDMO CCCn1ncc(C[N@H+](CCC#N)C2CCCCCCC2)c1C ZINC001138638275 1046251494 /nfs/dbraw/zinc/25/14/94/1046251494.db2.gz NFVICXLRGNQNNU-UHFFFAOYSA-N 1 1 316.493 4.430 20 30 DIEDMO CCCn1ncc(C[N@@H+](CCC#N)C2CCCCCCC2)c1C ZINC001138638275 1046251504 /nfs/dbraw/zinc/25/15/04/1046251504.db2.gz NFVICXLRGNQNNU-UHFFFAOYSA-N 1 1 316.493 4.430 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)cc1 ZINC000245710858 1046262126 /nfs/dbraw/zinc/26/21/26/1046262126.db2.gz FYISTDXTVXHQLG-LZJOCLMNSA-N 1 1 320.436 4.355 20 30 DIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245750049 1046264646 /nfs/dbraw/zinc/26/46/46/1046264646.db2.gz NRAHBHNNUMPENG-UWWQBHOKSA-N 1 1 318.486 4.083 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000758369158 1046264995 /nfs/dbraw/zinc/26/49/95/1046264995.db2.gz SVHOXGLPYVSILM-UHFFFAOYSA-N 1 1 314.307 4.067 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c(Cl)[nH]c3ccccc31)CC2 ZINC001138685619 1046270175 /nfs/dbraw/zinc/27/01/75/1046270175.db2.gz HGXXVQORYPUKJB-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c(Cl)[nH]c3ccccc31)CC2 ZINC001138685619 1046270187 /nfs/dbraw/zinc/27/01/87/1046270187.db2.gz HGXXVQORYPUKJB-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C)cc1C ZINC000610447511 1046291075 /nfs/dbraw/zinc/29/10/75/1046291075.db2.gz BPGDDULFGOQLOY-UHFFFAOYSA-N 1 1 302.462 4.082 20 30 DIEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N2CCCC2)cc1O ZINC000748246845 1046359138 /nfs/dbraw/zinc/35/91/38/1046359138.db2.gz QBQGBAXZYCCXLG-UHFFFAOYSA-N 1 1 309.413 4.137 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001139029897 1046363320 /nfs/dbraw/zinc/36/33/20/1046363320.db2.gz VEPQPAVNVNWYQN-KRWDZBQOSA-N 1 1 308.425 4.026 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001139030432 1046363394 /nfs/dbraw/zinc/36/33/94/1046363394.db2.gz GYEDORNJRBULIW-SFHVURJKSA-N 1 1 323.436 4.250 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001139030430 1046365528 /nfs/dbraw/zinc/36/55/28/1046365528.db2.gz GYEDORNJRBULIW-GOSISDBHSA-N 1 1 323.436 4.250 20 30 DIEDMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139070637 1046380324 /nfs/dbraw/zinc/38/03/24/1046380324.db2.gz PWPKDCOPZZQTEO-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000780399335 1046384776 /nfs/dbraw/zinc/38/47/76/1046384776.db2.gz JGPLACBTUNNXEN-ZBWUASRJSA-N 1 1 318.420 4.267 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000780399332 1046384921 /nfs/dbraw/zinc/38/49/21/1046384921.db2.gz JGPLACBTUNNXEN-WUQYLLKWSA-N 1 1 318.420 4.267 20 30 DIEDMO C=C(Cl)C[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000749166378 1046436418 /nfs/dbraw/zinc/43/64/18/1046436418.db2.gz MUYZQNHCHZWLEY-UHFFFAOYSA-N 1 1 304.796 4.018 20 30 DIEDMO C=C(Cl)C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000749166378 1046436421 /nfs/dbraw/zinc/43/64/21/1046436421.db2.gz MUYZQNHCHZWLEY-UHFFFAOYSA-N 1 1 304.796 4.018 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139367072 1046438833 /nfs/dbraw/zinc/43/88/33/1046438833.db2.gz HLSZYJGCWVGIKK-UHFFFAOYSA-N 1 1 309.866 4.044 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(-c2cnccn2)cc1)C1CCCCC1 ZINC001139394310 1046442117 /nfs/dbraw/zinc/44/21/17/1046442117.db2.gz DGLYGRRRSAOTEX-UHFFFAOYSA-N 1 1 307.441 4.464 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@@H]43)cc2)c1 ZINC001139405478 1046443739 /nfs/dbraw/zinc/44/37/39/1046443739.db2.gz REYKTXXGAGDQGZ-FPOVZHCZSA-N 1 1 317.436 4.385 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139402676 1046444093 /nfs/dbraw/zinc/44/40/93/1046444093.db2.gz WDRCCVXNOWNYHH-INIZCTEOSA-N 1 1 305.425 4.242 20 30 DIEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139404893 1046444212 /nfs/dbraw/zinc/44/42/12/1046444212.db2.gz DEPXHACSCOUNAU-INIZCTEOSA-N 1 1 305.425 4.242 20 30 DIEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424593 1046448653 /nfs/dbraw/zinc/44/86/53/1046448653.db2.gz RNJRUEFLMLSJES-MRXNPFEDSA-N 1 1 321.424 4.368 20 30 DIEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139424592 1046449311 /nfs/dbraw/zinc/44/93/11/1046449311.db2.gz RNJRUEFLMLSJES-INIZCTEOSA-N 1 1 321.424 4.368 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C#N)c(F)c1 ZINC001139529358 1046463458 /nfs/dbraw/zinc/46/34/58/1046463458.db2.gz OPZOWTAEFPTUPG-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO Cc1cccc(C[N@@H+](Cc2ccc(C#N)c(F)c2)C2CC2)c1C ZINC001139531250 1046465011 /nfs/dbraw/zinc/46/50/11/1046465011.db2.gz SJTRWYAGCGUYOB-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO Cc1cnc(Cl)c(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001139592050 1046481142 /nfs/dbraw/zinc/48/11/42/1046481142.db2.gz ARBRFXZJVOMHCX-UHFFFAOYSA-N 1 1 324.855 4.307 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)o1 ZINC000091892124 1046486942 /nfs/dbraw/zinc/48/69/42/1046486942.db2.gz GBINZJFAIQEZSY-YLJYHZDGSA-N 1 1 324.424 4.020 20 30 DIEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001139691638 1046500229 /nfs/dbraw/zinc/50/02/29/1046500229.db2.gz CBRBTAIGZPCHOQ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001139691638 1046500236 /nfs/dbraw/zinc/50/02/36/1046500236.db2.gz CBRBTAIGZPCHOQ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1c[nH]c2c1cccc2C#N ZINC001139703003 1046501468 /nfs/dbraw/zinc/50/14/68/1046501468.db2.gz GJMZWGDNYWHWIJ-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)c[nH]c21 ZINC001139703595 1046502000 /nfs/dbraw/zinc/50/20/00/1046502000.db2.gz QXGRVXKOVZKIMC-KRWDZBQOSA-N 1 1 315.420 4.104 20 30 DIEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1C#N ZINC001139693670 1046502731 /nfs/dbraw/zinc/50/27/31/1046502731.db2.gz NHMMBKZBAYLYNF-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(Cl)c1C#N ZINC001139693670 1046502741 /nfs/dbraw/zinc/50/27/41/1046502741.db2.gz NHMMBKZBAYLYNF-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)[C@H]1CCc2ccccc21 ZINC001139707578 1046504930 /nfs/dbraw/zinc/50/49/30/1046504930.db2.gz KRIXKKCNIGNRDK-IBGZPJMESA-N 1 1 301.393 4.159 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)cc1 ZINC001139724649 1046505588 /nfs/dbraw/zinc/50/55/88/1046505588.db2.gz YQVBUNXLTPFKRO-FQEVSTJZSA-N 1 1 306.409 4.212 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2Cl)cn1 ZINC001139770052 1046514812 /nfs/dbraw/zinc/51/48/12/1046514812.db2.gz ASLKMWYNHUECJJ-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2Cl)cn1 ZINC001139770052 1046514819 /nfs/dbraw/zinc/51/48/19/1046514819.db2.gz ASLKMWYNHUECJJ-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCC[N@H+](Cc1ccc(COC)s1)Cc1ccccc1 ZINC001139826895 1046525514 /nfs/dbraw/zinc/52/55/14/1046525514.db2.gz GBGCKOGZDSYNRS-UHFFFAOYSA-N 1 1 301.455 4.473 20 30 DIEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877344 1046528078 /nfs/dbraw/zinc/52/80/78/1046528078.db2.gz PUKQNFDVLVOCDZ-JXFKEZNVSA-N 1 1 319.452 4.466 20 30 DIEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001139879242 1046539277 /nfs/dbraw/zinc/53/92/77/1046539277.db2.gz HRVYPIAQFVBVDI-IBGZPJMESA-N 1 1 312.363 4.044 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccc3Cl)C2)c1 ZINC001139875425 1046539799 /nfs/dbraw/zinc/53/97/99/1046539799.db2.gz MNNTYPSOOUDNMO-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1ccnc1C ZINC001140025961 1046571556 /nfs/dbraw/zinc/57/15/56/1046571556.db2.gz HCRQBXLPWAOSAK-UHFFFAOYSA-N 1 1 317.436 4.369 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-c1cncnc1 ZINC001140022041 1046572758 /nfs/dbraw/zinc/57/27/58/1046572758.db2.gz FKBKCZHGFOPUKZ-UHFFFAOYSA-N 1 1 315.420 4.332 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000678212575 1046587087 /nfs/dbraw/zinc/58/70/87/1046587087.db2.gz JKRJZJHLCAYIQW-FQEVSTJZSA-N 1 1 309.409 4.294 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114828 1046591346 /nfs/dbraw/zinc/59/13/46/1046591346.db2.gz BRYRZISJZKGEJX-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c2c1 ZINC001140114569 1046591826 /nfs/dbraw/zinc/59/18/26/1046591826.db2.gz TUWFDMRWZUTYIX-GOSISDBHSA-N 1 1 315.420 4.419 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140116038 1046594941 /nfs/dbraw/zinc/59/49/41/1046594941.db2.gz PCPQELQUHIUHGS-UHFFFAOYSA-N 1 1 303.409 4.234 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783509910 1046602003 /nfs/dbraw/zinc/60/20/03/1046602003.db2.gz SBEHHBKLMXWNJH-UHFFFAOYSA-N 1 1 322.817 4.498 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783509910 1046602007 /nfs/dbraw/zinc/60/20/07/1046602007.db2.gz SBEHHBKLMXWNJH-UHFFFAOYSA-N 1 1 322.817 4.498 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000093319376 1046622266 /nfs/dbraw/zinc/62/22/66/1046622266.db2.gz UMBUHQYNSXBRSZ-UHFFFAOYSA-N 1 1 300.446 4.467 20 30 DIEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC(C)(C)CCC#N ZINC000093476921 1046629902 /nfs/dbraw/zinc/62/99/02/1046629902.db2.gz RQZRXNZWSMEPTH-GOSISDBHSA-N 1 1 320.452 4.147 20 30 DIEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533056001 1046646405 /nfs/dbraw/zinc/64/64/05/1046646405.db2.gz FFZRRDITIGYGLD-MRXNPFEDSA-N 1 1 301.821 4.443 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(-c2cncnc2)cc1)C1CCCCC1 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CC[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H](C)C#N ZINC000726963328 1047395672 /nfs/dbraw/zinc/39/56/72/1047395672.db2.gz BPWYGNVDIMEJAC-ZDUSSCGKSA-N 1 1 308.381 4.273 20 30 DIEDMO COc1cc(Cl)c(C[NH+]2CCC(CC#N)CC2)c(Cl)c1 ZINC001142292646 1047423217 /nfs/dbraw/zinc/42/32/17/1047423217.db2.gz IMKNMJRCWOZNML-UHFFFAOYSA-N 1 1 313.228 4.128 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000117877048 1047425485 /nfs/dbraw/zinc/42/54/85/1047425485.db2.gz JBTPJHITSGTMME-OAHLLOKOSA-N 1 1 315.392 4.021 20 30 DIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCCSCC#N)cc1 ZINC000080629416 1047426867 /nfs/dbraw/zinc/42/68/67/1047426867.db2.gz OSPZTIULRDMNTI-QZTJIDSGSA-N 1 1 302.487 4.210 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142521065 1047465303 /nfs/dbraw/zinc/46/53/03/1047465303.db2.gz WGDRKXDNNCLGHM-UHFFFAOYSA-N 1 1 303.352 4.249 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O ZINC001142521065 1047465306 /nfs/dbraw/zinc/46/53/06/1047465306.db2.gz 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CC(C)(CCC#N)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000093741391 1047550905 /nfs/dbraw/zinc/55/09/05/1047550905.db2.gz NZYZANFKWMOHDD-LJQANCHMSA-N 1 1 314.473 4.078 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@H]1c1ccccc1 ZINC001204375410 1047569336 /nfs/dbraw/zinc/56/93/36/1047569336.db2.gz RTVCFKADSATFOD-FPOVZHCZSA-N 1 1 307.437 4.487 20 30 DIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCOc1ccccc1C#N ZINC000060478813 1047625671 /nfs/dbraw/zinc/62/56/71/1047625671.db2.gz PCELBWHTOYLEER-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C ZINC000537721297 1047635590 /nfs/dbraw/zinc/63/55/90/1047635590.db2.gz ZYLPLYWMFBOLBX-UHFFFAOYSA-N 1 1 318.420 4.165 20 30 DIEDMO C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000538508658 1047684049 /nfs/dbraw/zinc/68/40/49/1047684049.db2.gz WZXUXPMASASTEC-CYBMUJFWSA-N 1 1 321.355 4.203 20 30 DIEDMO CC(C)(Cc1ccc(F)cc1)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001155968407 1047694625 /nfs/dbraw/zinc/69/46/25/1047694625.db2.gz 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ZINC001159209576 1047820295 /nfs/dbraw/zinc/82/02/95/1047820295.db2.gz ZYDNKHSUAPIZRD-QZTJIDSGSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000478963272 1047829132 /nfs/dbraw/zinc/82/91/32/1047829132.db2.gz ORMLPBXEULSGNI-UHFFFAOYSA-N 1 1 321.490 4.076 20 30 DIEDMO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573582 1047890064 /nfs/dbraw/zinc/89/00/64/1047890064.db2.gz FWCBYXDDGNBDSW-IERDGZPVSA-N 1 1 320.436 4.291 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001174573845 1047890869 /nfs/dbraw/zinc/89/08/69/1047890869.db2.gz GTOHRHKUMNQRJD-HXUWFJFHSA-N 1 1 315.457 4.457 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1c(F)cccc1F ZINC001197979278 1047913484 /nfs/dbraw/zinc/91/34/84/1047913484.db2.gz WSOUOYYWIRKKNI-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO CCCC[N@@H+](CCCSCC#N)Cc1c(C)oc(C)c1C ZINC001198019703 1047913769 /nfs/dbraw/zinc/91/37/69/1047913769.db2.gz BPOJHPFFJIMOFK-UHFFFAOYSA-N 1 1 308.491 4.454 20 30 DIEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC001198010280 1047914752 /nfs/dbraw/zinc/91/47/52/1047914752.db2.gz HXTWMKCPCUQECR-YLJYHZDGSA-N 1 1 320.436 4.205 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1c(F)cccc1F ZINC001197979277 1047915116 /nfs/dbraw/zinc/91/51/16/1047915116.db2.gz WSOUOYYWIRKKNI-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C=CCCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000479518985 1047918801 /nfs/dbraw/zinc/91/88/01/1047918801.db2.gz UDLKTNWHLVLMGW-KRWDZBQOSA-N 1 1 314.473 4.034 20 30 DIEDMO CC[C@@H](OCC[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC001198203216 1047933974 /nfs/dbraw/zinc/93/39/74/1047933974.db2.gz XWFKYPAAEIWZTK-GOSISDBHSA-N 1 1 314.454 4.219 20 30 DIEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCOc1ccccc1C#N ZINC001198289931 1047941236 /nfs/dbraw/zinc/94/12/36/1047941236.db2.gz WWFQBVLLSBOIBV-LJQANCHMSA-N 1 1 320.436 4.205 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001198271946 1047943181 /nfs/dbraw/zinc/94/31/81/1047943181.db2.gz YVSKSYYGYIUNRS-MRXNPFEDSA-N 1 1 308.263 4.422 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C(F)F)cc3)sc2C1 ZINC001174711455 1047950455 /nfs/dbraw/zinc/95/04/55/1047950455.db2.gz NBECELPRVKIXCA-UHFFFAOYSA-N 1 1 319.380 4.289 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC001198414081 1047953317 /nfs/dbraw/zinc/95/33/17/1047953317.db2.gz AAHGRGGJXQYUNL-QGZVFWFLSA-N 1 1 311.425 4.340 20 30 DIEDMO C=CCC[C@H]1CCC[N@H+]1Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC001198414522 1047953812 /nfs/dbraw/zinc/95/38/12/1047953812.db2.gz VFQYOEWVMALXOY-ZDUSSCGKSA-N 1 1 323.396 4.012 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687351 1047970349 /nfs/dbraw/zinc/97/03/49/1047970349.db2.gz NQHUXIXBIBUSJA-BBWFWOEESA-N 1 1 324.509 4.356 20 30 DIEDMO CCCCC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001174781280 1047971839 /nfs/dbraw/zinc/97/18/39/1047971839.db2.gz WDLIMCBYNHMMCR-RTBURBONSA-N 1 1 300.446 4.026 20 30 DIEDMO CC[C@H](C[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886995 1047991925 /nfs/dbraw/zinc/99/19/25/1047991925.db2.gz UDRDPPFATCOVRH-WIYYLYMNSA-N 1 1 322.452 4.107 20 30 DIEDMO COc1ccc(-c2ccncc2)cc1C[N@H+](CCC#N)CC(C)C ZINC000775898247 1048012612 /nfs/dbraw/zinc/01/26/12/1048012612.db2.gz TVIYECLDLNIDKH-UHFFFAOYSA-N 1 1 323.440 4.129 20 30 DIEDMO COc1ccc(-c2ccncc2)cc1C[N@@H+](CCC#N)CC(C)C ZINC000775898247 1048012628 /nfs/dbraw/zinc/01/26/28/1048012628.db2.gz TVIYECLDLNIDKH-UHFFFAOYSA-N 1 1 323.440 4.129 20 30 DIEDMO C#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC001184228868 1048013101 /nfs/dbraw/zinc/01/31/01/1048013101.db2.gz MVPLZLRXDBATMT-RBBKRZOGSA-N 1 1 316.448 4.448 20 30 DIEDMO C#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cc1 ZINC001184228866 1048014085 /nfs/dbraw/zinc/01/40/85/1048014085.db2.gz MVPLZLRXDBATMT-IFMALSPDSA-N 1 1 316.448 4.448 20 30 DIEDMO CC[NH+](CC)CC[C@H](NC1CCC(C#N)CC1)c1ccccc1 ZINC001184336520 1048030220 /nfs/dbraw/zinc/03/02/20/1048030220.db2.gz ACNDWRKJZGITMH-UUKMXZOPSA-N 1 1 313.489 4.132 20 30 DIEDMO CCN(CC)CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001184336520 1048030233 /nfs/dbraw/zinc/03/02/33/1048030233.db2.gz ACNDWRKJZGITMH-UUKMXZOPSA-N 1 1 313.489 4.132 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000554308001 1048063181 /nfs/dbraw/zinc/06/31/81/1048063181.db2.gz HHHQNIXSDKKJTP-GOSISDBHSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000554310111 1048064736 /nfs/dbraw/zinc/06/47/36/1048064736.db2.gz IATYFBMVLPQUFJ-SFHVURJKSA-N 1 1 312.388 4.289 20 30 DIEDMO N#CCc1cccc2c1CC[N@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001175060817 1048087346 /nfs/dbraw/zinc/08/73/46/1048087346.db2.gz CXOUYACIWSLHGA-FQEVSTJZSA-N 1 1 322.839 4.452 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(F)cc2ccc(Cl)nc21 ZINC001160953548 1048098868 /nfs/dbraw/zinc/09/88/68/1048098868.db2.gz DYGZROOBJZDGDM-AWEZNQCLSA-N 1 1 319.811 4.090 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000554487829 1048113108 /nfs/dbraw/zinc/11/31/08/1048113108.db2.gz QSRMWKVLZSWNNQ-KRWDZBQOSA-N 1 1 305.381 4.012 20 30 DIEDMO Cc1cccc(-c2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)c1 ZINC000554487846 1048118548 /nfs/dbraw/zinc/11/85/48/1048118548.db2.gz VEERPJDUUKJFOS-SFHVURJKSA-N 1 1 303.409 4.195 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718303 1048158412 /nfs/dbraw/zinc/15/84/12/1048158412.db2.gz UIKGCQHZFWNEHX-VQIMIIECSA-N 1 1 320.440 4.133 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000480535583 1048169714 /nfs/dbraw/zinc/16/97/14/1048169714.db2.gz KRBZGLOTLLVXDT-SFHVURJKSA-N 1 1 318.848 4.135 20 30 DIEDMO C[C@H](C[N@@H+](C)CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC001175229237 1048205217 /nfs/dbraw/zinc/20/52/17/1048205217.db2.gz MIKINKHQPZXXNJ-QGZVFWFLSA-N 1 1 314.473 4.475 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cs2)o1 ZINC000554840393 1048205672 /nfs/dbraw/zinc/20/56/72/1048205672.db2.gz UKYDCNTWCABCAN-ZDUSSCGKSA-N 1 1 323.421 4.434 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001175312662 1048259430 /nfs/dbraw/zinc/25/94/30/1048259430.db2.gz ZTBXFZCDIWGOOR-RLLQIKCJSA-N 1 1 322.839 4.447 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@H]2/C=C\c2ccccc2)n1 ZINC000555092527 1048267707 /nfs/dbraw/zinc/26/77/07/1048267707.db2.gz IKDILLKXWPCFTL-LENZSSGSSA-N 1 1 323.465 4.473 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)n1 ZINC000555092527 1048267712 /nfs/dbraw/zinc/26/77/12/1048267712.db2.gz IKDILLKXWPCFTL-LENZSSGSSA-N 1 1 323.465 4.473 20 30 DIEDMO C#CC1(Nc2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)CCCCC1 ZINC001162479604 1048285587 /nfs/dbraw/zinc/28/55/87/1048285587.db2.gz JRMPMIHXQSFEEO-SFHVURJKSA-N 1 1 311.473 4.377 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(N[C@](C)(C#N)CC(C)C)nc1 ZINC001162520295 1048294968 /nfs/dbraw/zinc/29/49/68/1048294968.db2.gz WMWGNZYNOJAYLP-MJGOQNOKSA-N 1 1 314.477 4.369 20 30 DIEDMO Cc1ccc2c(C3=CC[N@H+]([C@H]4CC[C@@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404146 1048339163 /nfs/dbraw/zinc/33/91/63/1048339163.db2.gz BJLAKPQNKDKLDY-WBVHZDCISA-N 1 1 305.425 4.258 20 30 DIEDMO Cc1nc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC001186756577 1048341554 /nfs/dbraw/zinc/34/15/54/1048341554.db2.gz CQYHPVHXHHGDGI-GOSISDBHSA-N 1 1 323.465 4.018 20 30 DIEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1Cl ZINC001175506166 1048343104 /nfs/dbraw/zinc/34/31/04/1048343104.db2.gz XAEXVRCRCMHZOV-UHFFFAOYSA-N 1 1 323.827 4.413 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1nc2ccc(Br)cc2s1 ZINC000775051650 1048344405 /nfs/dbraw/zinc/34/44/05/1048344405.db2.gz OXTVKOZNKVUNMY-UHFFFAOYSA-N 1 1 311.248 4.067 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1nc2ccc(Br)cc2s1 ZINC000775051650 1048344421 /nfs/dbraw/zinc/34/44/21/1048344421.db2.gz OXTVKOZNKVUNMY-UHFFFAOYSA-N 1 1 311.248 4.067 20 30 DIEDMO Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1C#N ZINC001175507474 1048345247 /nfs/dbraw/zinc/34/52/47/1048345247.db2.gz WMYFQUGHLMBEDK-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO CCCCCCCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899504843 1048350621 /nfs/dbraw/zinc/35/06/21/1048350621.db2.gz XFVJMYNDBXHVLL-UHFFFAOYSA-N 1 1 319.493 4.483 20 30 DIEDMO CC[N@@H+](CCCNc1ncc(C#N)cc1Cl)C1CCCCC1 ZINC001186931775 1048356199 /nfs/dbraw/zinc/35/61/99/1048356199.db2.gz XOZHJMPOQSXAOT-UHFFFAOYSA-N 1 1 320.868 4.063 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001201762205 1048371620 /nfs/dbraw/zinc/37/16/20/1048371620.db2.gz BHDHZIKCTLWIHN-GUDVDZBRSA-N 1 1 309.494 4.005 20 30 DIEDMO CCCCCCC[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001201797667 1048374210 /nfs/dbraw/zinc/37/42/10/1048374210.db2.gz BSNUTYKUEYXPJV-UHFFFAOYSA-N 1 1 300.487 4.194 20 30 DIEDMO C[N@@H+]1CCC=C(Nc2cc(-c3ccc(F)cc3)sc2C#N)C1 ZINC001175573319 1048374900 /nfs/dbraw/zinc/37/49/00/1048374900.db2.gz CUMCKAJFBOCZFL-UHFFFAOYSA-N 1 1 313.401 4.057 20 30 DIEDMO C[N@H+]1CCC=C(Nc2cc(-c3ccc(F)cc3)sc2C#N)C1 ZINC001175573319 1048374909 /nfs/dbraw/zinc/37/49/09/1048374909.db2.gz CUMCKAJFBOCZFL-UHFFFAOYSA-N 1 1 313.401 4.057 20 30 DIEDMO CCCCCCC[N@@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001201797953 1048374828 /nfs/dbraw/zinc/37/48/28/1048374828.db2.gz IJVZWTVEGBROFX-MRXNPFEDSA-N 1 1 305.462 4.246 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001201813143 1048376125 /nfs/dbraw/zinc/37/61/25/1048376125.db2.gz BETKIHDJKBASRS-OALUTQOASA-N 1 1 311.510 4.255 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001201814587 1048376297 /nfs/dbraw/zinc/37/62/97/1048376297.db2.gz QDTMZOUSROEMPV-SFHVURJKSA-N 1 1 321.509 4.199 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001201815154 1048376355 /nfs/dbraw/zinc/37/63/55/1048376355.db2.gz XUULIKFSVZARRK-GOSISDBHSA-N 1 1 321.509 4.199 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787791 1048379405 /nfs/dbraw/zinc/37/94/05/1048379405.db2.gz MIFLTNQPOBFQSD-GFCCVEGCSA-N 1 1 319.371 4.238 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001201826463 1048382833 /nfs/dbraw/zinc/38/28/33/1048382833.db2.gz WQOKZUHVZHXPGA-LJQANCHMSA-N 1 1 308.510 4.214 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCCCCCC)C2 ZINC001201826369 1048384033 /nfs/dbraw/zinc/38/40/33/1048384033.db2.gz TZMPVQCXORTJRZ-OALUTQOASA-N 1 1 309.494 4.173 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001201846741 1048388329 /nfs/dbraw/zinc/38/83/29/1048388329.db2.gz KTAMUYFUFKPOAR-IBGZPJMESA-N 1 1 308.510 4.214 20 30 DIEDMO Cc1cccc2[nH]c(C[N@H+]3CCc4c(CC#N)cccc4C3)cc21 ZINC000600212929 1048388773 /nfs/dbraw/zinc/38/87/73/1048388773.db2.gz LGDQPNZVIJRFKV-UHFFFAOYSA-N 1 1 315.420 4.101 20 30 DIEDMO N#CCSCCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000481394389 1048389713 /nfs/dbraw/zinc/38/97/13/1048389713.db2.gz VKHRKEYXLVAEKK-OAHLLOKOSA-N 1 1 306.450 4.042 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001201846886 1048390401 /nfs/dbraw/zinc/39/04/01/1048390401.db2.gz OQYUCKKMNUFHSV-SFHVURJKSA-N 1 1 321.509 4.102 20 30 DIEDMO CCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201875029 1048393429 /nfs/dbraw/zinc/39/34/29/1048393429.db2.gz OARSWKBSADSZAO-KRWDZBQOSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001201874653 1048394261 /nfs/dbraw/zinc/39/42/61/1048394261.db2.gz BQUAAVSZABNSQQ-QZTJIDSGSA-N 1 1 308.510 4.070 20 30 DIEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)Cc1ccc(C#N)cc1Cl ZINC001175612873 1048396591 /nfs/dbraw/zinc/39/65/91/1048396591.db2.gz URPADJZSTLHVPG-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1ccc(C#N)cc1Cl ZINC001175612873 1048396597 /nfs/dbraw/zinc/39/65/97/1048396597.db2.gz URPADJZSTLHVPG-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCCSC[C@H]2c2ccccc2)cc1 ZINC001175770060 1048445731 /nfs/dbraw/zinc/44/57/31/1048445731.db2.gz WGXRIOWFNHJLGA-FQEVSTJZSA-N 1 1 322.477 4.433 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@H]1c1ncccn1 ZINC001175846543 1048463215 /nfs/dbraw/zinc/46/32/15/1048463215.db2.gz ZTZWPVGCYISTEF-SFHVURJKSA-N 1 1 320.440 4.005 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1c1ncccn1 ZINC001175846543 1048463222 /nfs/dbraw/zinc/46/32/22/1048463222.db2.gz ZTZWPVGCYISTEF-SFHVURJKSA-N 1 1 320.440 4.005 20 30 DIEDMO CCCCCCCC[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001175873079 1048486705 /nfs/dbraw/zinc/48/67/05/1048486705.db2.gz MHBGNJNNCFFGMS-SFHVURJKSA-N 1 1 318.461 4.304 20 30 DIEDMO [NH2+]=C(Nc1cncc(C2CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001163683358 1048504519 /nfs/dbraw/zinc/50/45/19/1048504519.db2.gz BDOQGVIHISXLIC-UHFFFAOYSA-N 1 1 305.303 4.015 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2c(Cl)cncc2Cl)cc1 ZINC001202366218 1048532438 /nfs/dbraw/zinc/53/24/38/1048532438.db2.gz KLXWHOXVNRNBFL-UHFFFAOYSA-N 1 1 323.223 4.243 20 30 DIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1cccc(CC#N)c1 ZINC001202435965 1048552800 /nfs/dbraw/zinc/55/28/00/1048552800.db2.gz NUJMWXGQWVJJJS-UHFFFAOYSA-N 1 1 321.468 4.323 20 30 DIEDMO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775203830 1048559199 /nfs/dbraw/zinc/55/91/99/1048559199.db2.gz IHPLDABZOATOSH-QZTJIDSGSA-N 1 1 322.452 4.349 20 30 DIEDMO CC(C)[N@H+](CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000159737348 1048594228 /nfs/dbraw/zinc/59/42/28/1048594228.db2.gz FQXNNOZWZKONDZ-UHFFFAOYSA-N 1 1 318.873 4.101 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1c(F)cccc1F ZINC000850038722 1048612145 /nfs/dbraw/zinc/61/21/45/1048612145.db2.gz XYGJSMGAGFPVEP-ZDUSSCGKSA-N 1 1 312.363 4.371 20 30 DIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000850447301 1048660941 /nfs/dbraw/zinc/66/09/41/1048660941.db2.gz FTZMNSKFQXCJLB-KBXCAEBGSA-N 1 1 324.380 4.019 20 30 DIEDMO C=C(C)CN(CC)c1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001165140864 1048661381 /nfs/dbraw/zinc/66/13/81/1048661381.db2.gz CTUFMMUOKVIXFJ-GOSISDBHSA-N 1 1 301.478 4.421 20 30 DIEDMO C#CC[N@H+](CCc1csc(C)n1)[C@@H]1CCCc2ccccc21 ZINC001176452250 1048687999 /nfs/dbraw/zinc/68/79/99/1048687999.db2.gz IUDJVORUPSCHBQ-LJQANCHMSA-N 1 1 310.466 4.007 20 30 DIEDMO C#CC[N@H+](CCc1ncc(C)cc1C)[C@H]1CCCc2ccccc21 ZINC001176453388 1048688106 /nfs/dbraw/zinc/68/81/06/1048688106.db2.gz SXFVVAFAGJSIOD-QFIPXVFZSA-N 1 1 318.464 4.254 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC001205496670 1048702019 /nfs/dbraw/zinc/70/20/19/1048702019.db2.gz KPATXAZBFJMLGA-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C=CCCCCN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC001176566923 1048727907 /nfs/dbraw/zinc/72/79/07/1048727907.db2.gz FTACSZVTHHHPFL-UHFFFAOYSA-N 1 1 312.501 4.430 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001190466507 1048743580 /nfs/dbraw/zinc/74/35/80/1048743580.db2.gz YZCSGIDFUKUKNI-HXUWFJFHSA-N 1 1 308.400 4.213 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001190466506 1048744013 /nfs/dbraw/zinc/74/40/13/1048744013.db2.gz YZCSGIDFUKUKNI-FQEVSTJZSA-N 1 1 308.400 4.213 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(Br)cc1 ZINC000160801650 1048757463 /nfs/dbraw/zinc/75/74/63/1048757463.db2.gz IEVQMWRMSVBEEG-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC001190616841 1048758461 /nfs/dbraw/zinc/75/84/61/1048758461.db2.gz SXKFQRFHHGNXKY-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001190616793 1048759629 /nfs/dbraw/zinc/75/96/29/1048759629.db2.gz SHNLBCHGUAYJHV-UHFFFAOYSA-N 1 1 323.396 4.125 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(Br)c1Cl)C(C)C ZINC001190588555 1048762544 /nfs/dbraw/zinc/76/25/44/1048762544.db2.gz AJZWFNDAQXYZFI-UHFFFAOYSA-N 1 1 302.643 4.499 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258183 1048763849 /nfs/dbraw/zinc/76/38/49/1048763849.db2.gz SQEWZFVERACVEN-UXHICEINSA-N 1 1 307.441 4.055 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1ccccc1 ZINC000775400159 1048765114 /nfs/dbraw/zinc/76/51/14/1048765114.db2.gz XBBVAYSASGDCQV-LJQANCHMSA-N 1 1 320.367 4.335 20 30 DIEDMO COC1(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCCC1 ZINC000483262464 1048767079 /nfs/dbraw/zinc/76/70/79/1048767079.db2.gz AQVUIKXPCIZSTC-OALUTQOASA-N 1 1 312.457 4.107 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cc1OC ZINC001190626674 1048768031 /nfs/dbraw/zinc/76/80/31/1048768031.db2.gz BMWBXEBXQYGLTN-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279725 1048769303 /nfs/dbraw/zinc/76/93/03/1048769303.db2.gz IFTLTACKAPJGAJ-KGLIPLIRSA-N 1 1 315.848 4.174 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483293354 1048769546 /nfs/dbraw/zinc/76/95/46/1048769546.db2.gz VFBYUMNDPIVTBU-HXUWFJFHSA-N 1 1 307.441 4.357 20 30 DIEDMO N#Cc1ccc(Br)c(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000483316956 1048776198 /nfs/dbraw/zinc/77/61/98/1048776198.db2.gz WFRQMMNSOIOQCE-UHFFFAOYSA-N 1 1 319.246 4.085 20 30 DIEDMO CCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001176782716 1048787125 /nfs/dbraw/zinc/78/71/25/1048787125.db2.gz MVRDAOWWHRHKTR-AWEZNQCLSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771796 1048788632 /nfs/dbraw/zinc/78/86/32/1048788632.db2.gz VRSZYTYHBXKVMU-SJORKVTESA-N 1 1 318.848 4.264 20 30 DIEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000483403179 1048788649 /nfs/dbraw/zinc/78/86/49/1048788649.db2.gz HPLCHYOSHPXKET-LJQANCHMSA-N 1 1 312.363 4.000 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001176814754 1048791405 /nfs/dbraw/zinc/79/14/05/1048791405.db2.gz QJZOTIPBWFSTDI-BXUZGUMPSA-N 1 1 303.793 4.101 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001176814754 1048791421 /nfs/dbraw/zinc/79/14/21/1048791421.db2.gz QJZOTIPBWFSTDI-BXUZGUMPSA-N 1 1 303.793 4.101 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001176813657 1048791917 /nfs/dbraw/zinc/79/19/17/1048791917.db2.gz GVEUHELHTSIVLE-LPHOPBHVSA-N 1 1 324.509 4.336 20 30 DIEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000483415065 1048792626 /nfs/dbraw/zinc/79/26/26/1048792626.db2.gz ZPHFNNMMPFVFGG-IBGZPJMESA-N 1 1 312.363 4.000 20 30 DIEDMO C=C(C)CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001190846999 1048793889 /nfs/dbraw/zinc/79/38/89/1048793889.db2.gz NAUPSAHQTYNEPW-UHFFFAOYSA-N 1 1 302.245 4.144 20 30 DIEDMO C=CCCC[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001190855992 1048796369 /nfs/dbraw/zinc/79/63/69/1048796369.db2.gz WYAXNIVESVKCJQ-HXUWFJFHSA-N 1 1 300.490 4.329 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001176904010 1048806564 /nfs/dbraw/zinc/80/65/64/1048806564.db2.gz MIHYKNWHMNNPPF-ZWKOTPCHSA-N 1 1 308.510 4.212 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483510823 1048808108 /nfs/dbraw/zinc/80/81/08/1048808108.db2.gz ABMUKGACCHBPML-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483510823 1048808120 /nfs/dbraw/zinc/80/81/20/1048808120.db2.gz ABMUKGACCHBPML-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c(F)c1)CC1CCCCC1 ZINC001190983284 1048811665 /nfs/dbraw/zinc/81/16/65/1048811665.db2.gz AWDPEIJLFCMKLD-UHFFFAOYSA-N 1 1 319.420 4.181 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1F ZINC000483540567 1048814916 /nfs/dbraw/zinc/81/49/16/1048814916.db2.gz YOXBCYWJRNZABE-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO CCc1ccc2c(c1)CC[N@H+](Cc1c(C)cc(C#N)cc1C)C2 ZINC001177008653 1048815362 /nfs/dbraw/zinc/81/53/62/1048815362.db2.gz MYDJFUCMAHXBDO-UHFFFAOYSA-N 1 1 304.437 4.296 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccccc1C1CC1 ZINC001166980630 1048820285 /nfs/dbraw/zinc/82/02/85/1048820285.db2.gz GKAJATKCYXGPMK-UHFFFAOYSA-N 1 1 304.397 4.107 20 30 DIEDMO C[C@@H]1SCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC001191030875 1048830021 /nfs/dbraw/zinc/83/00/21/1048830021.db2.gz SBTQSPXEOCEOHK-LOTPSLMQSA-N 1 1 314.498 4.495 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328621 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20 30 DIEDMO C=CC[N@H+](Cc1cccc(SC(=O)N(C)C)c1)C(C)(C)C ZINC000852554326 1048847381 /nfs/dbraw/zinc/84/73/81/1048847381.db2.gz JCEJLTGDPJSTBH-UHFFFAOYSA-N 1 1 306.475 4.247 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773658039 1048876352 /nfs/dbraw/zinc/87/63/52/1048876352.db2.gz FJPPYGZYQVFPMA-CQSZACIVSA-N 1 1 323.827 4.457 20 30 DIEDMO Cc1csc([C@@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C2CC2)n1 ZINC000930238331 1048882599 /nfs/dbraw/zinc/88/25/99/1048882599.db2.gz MWHSCYQUKIAQAY-HNNXBMFYSA-N 1 1 317.845 4.218 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979709 1048889273 /nfs/dbraw/zinc/88/92/73/1048889273.db2.gz MBKIWONTHCRNAA-MRXNPFEDSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC001191233271 1048905917 /nfs/dbraw/zinc/90/59/17/1048905917.db2.gz MKFKQWSAEVPYQJ-UXHICEINSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](c2ccccc2)CO1 ZINC001191234509 1048906425 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Cc1cc(C#N)ccc1C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000776793231 1049011665 /nfs/dbraw/zinc/01/16/65/1049011665.db2.gz ZAHKQWFHJKMCKF-CBGDNZLLSA-N 1 1 320.436 4.217 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001203904708 1049029485 /nfs/dbraw/zinc/02/94/85/1049029485.db2.gz AXWXDODPNXMTAT-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)cc1 ZINC001203904708 1049029499 /nfs/dbraw/zinc/02/94/99/1049029499.db2.gz AXWXDODPNXMTAT-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001203918427 1049033839 /nfs/dbraw/zinc/03/38/39/1049033839.db2.gz XNPJSICFXZTUGX-UHFFFAOYSA-N 1 1 312.363 4.022 20 30 DIEDMO C[C@@]1(c2ccccc2)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001192160351 1049045956 /nfs/dbraw/zinc/04/59/56/1049045956.db2.gz UANFBNJMMMUULB-IBGZPJMESA-N 1 1 312.457 4.098 20 30 DIEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2csc(C)n2)no1 ZINC000904528930 1049080069 /nfs/dbraw/zinc/08/00/69/1049080069.db2.gz LPGYVEBSDLWJJX-CQSZACIVSA-N 1 1 322.478 4.176 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC001204122309 1049089076 /nfs/dbraw/zinc/08/90/76/1049089076.db2.gz YHVNMIGDGUOSMM-UHFFFAOYSA-N 1 1 309.450 4.202 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@H]1C ZINC001204169776 1049101922 /nfs/dbraw/zinc/10/19/22/1049101922.db2.gz BALVSUDNDHAGRE-NEPJUHHUSA-N 1 1 312.226 4.232 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccc3ccccc3c2)no1 ZINC000904572587 1049103303 /nfs/dbraw/zinc/10/33/03/1049103303.db2.gz RUCIQDTWZMEZCY-QGZVFWFLSA-N 1 1 323.396 4.158 20 30 DIEDMO N#CC1(CCCC[N@H+]2CC[C@H](COc3ccccc3)C2)CCC1 ZINC001192490674 1049111276 /nfs/dbraw/zinc/11/12/76/1049111276.db2.gz SEVVCKRCVHUHCW-SFHVURJKSA-N 1 1 312.457 4.251 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CC=CCC1 ZINC001192482610 1049114496 /nfs/dbraw/zinc/11/44/96/1049114496.db2.gz YVUKKJZXBMBQMS-MRXNPFEDSA-N 1 1 323.358 4.225 20 30 DIEDMO C=C(C)CC[N@@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525263 1049116218 /nfs/dbraw/zinc/11/62/18/1049116218.db2.gz IYRHFIXQOWFGGC-INIZCTEOSA-N 1 1 309.837 4.232 20 30 DIEDMO C=C(C)CC[N@H+](CC)[C@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525263 1049116223 /nfs/dbraw/zinc/11/62/23/1049116223.db2.gz IYRHFIXQOWFGGC-INIZCTEOSA-N 1 1 309.837 4.232 20 30 DIEDMO C#CCC[N@@H+]1CCN(c2cccc(C(F)(F)F)c2)C[C@@H]1CCC ZINC001192536962 1049116846 /nfs/dbraw/zinc/11/68/46/1049116846.db2.gz OSOKNKHXWBNQQP-KRWDZBQOSA-N 1 1 324.390 4.019 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001204300088 1049134277 /nfs/dbraw/zinc/13/42/77/1049134277.db2.gz JEAOSCQIZLTABZ-NRFANRHFSA-N 1 1 323.436 4.043 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc3cccnc32)cc1 ZINC001204300352 1049134978 /nfs/dbraw/zinc/13/49/78/1049134978.db2.gz PZLWDMJZBGBHBH-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001204299922 1049135132 /nfs/dbraw/zinc/13/51/32/1049135132.db2.gz FCUYABTZVJIZKK-SFHVURJKSA-N 1 1 308.425 4.026 20 30 DIEDMO CCCCCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001204316868 1049140600 /nfs/dbraw/zinc/14/06/00/1049140600.db2.gz WMDFWGNQVJIOLJ-QGZVFWFLSA-N 1 1 300.446 4.381 20 30 DIEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001192950426 1049152519 /nfs/dbraw/zinc/15/25/19/1049152519.db2.gz IBERBGKXKUQFFU-FJIDUMEYSA-N 1 1 323.525 4.050 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001204374806 1049152692 /nfs/dbraw/zinc/15/26/92/1049152692.db2.gz HWTUIEVHSWORAX-LJQANCHMSA-N 1 1 304.437 4.403 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CCCOCC2)cc1 ZINC001204367945 1049152815 /nfs/dbraw/zinc/15/28/15/1049152815.db2.gz BPWRIQSQWHRXCH-UHFFFAOYSA-N 1 1 305.462 4.258 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC001204368002 1049153847 /nfs/dbraw/zinc/15/38/47/1049153847.db2.gz CEKXUZHFAKPPJY-LJQANCHMSA-N 1 1 319.489 4.383 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001204370002 1049153868 /nfs/dbraw/zinc/15/38/68/1049153868.db2.gz MXEXZDDKPMDSEM-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001204370002 1049153870 /nfs/dbraw/zinc/15/38/70/1049153870.db2.gz MXEXZDDKPMDSEM-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO CC(C)c1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001192974932 1049162407 /nfs/dbraw/zinc/16/24/07/1049162407.db2.gz BKFAEUUUCZDONV-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO CC(C)c1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC001192974932 1049162412 /nfs/dbraw/zinc/16/24/12/1049162412.db2.gz BKFAEUUUCZDONV-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(C(F)(F)F)c1 ZINC001204441031 1049162822 /nfs/dbraw/zinc/16/28/22/1049162822.db2.gz CBEAVHFXYDAMRB-UHFFFAOYSA-N 1 1 303.327 4.189 20 30 DIEDMO C=CC[N@H+](Cc1ccc(-c2ccc(C(=O)OC)cc2)o1)C(C)C ZINC001204442406 1049164115 /nfs/dbraw/zinc/16/41/15/1049164115.db2.gz XZGPGOIASHJDAJ-UHFFFAOYSA-N 1 1 313.397 4.130 20 30 DIEDMO Cc1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)ccc1C#N 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/nfs/dbraw/zinc/82/12/42/1050821242.db2.gz GXTJABRHYHDTFB-UONOGXRCSA-N 1 1 321.262 4.178 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)nc2sccc21 ZINC001160952832 1050824087 /nfs/dbraw/zinc/82/40/87/1050824087.db2.gz DQPGUUWBHKQBMI-NSHDSACASA-N 1 1 307.850 4.012 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000742381903 1050825400 /nfs/dbraw/zinc/82/54/00/1050825400.db2.gz RHGDDFRDNYNUMR-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO COc1cccc(Sc2ccccc2C[NH+]2CC(CC#N)C2)c1 ZINC000597202844 1050826414 /nfs/dbraw/zinc/82/64/14/1050826414.db2.gz DCDQWSLIINIOSM-UHFFFAOYSA-N 1 1 324.449 4.192 20 30 DIEDMO N#CCC1C[NH+](Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000597203839 1050827463 /nfs/dbraw/zinc/82/74/63/1050827463.db2.gz PGBHYJUKNGKWCM-UHFFFAOYSA-N 1 1 320.440 4.011 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000602020203 1050891601 /nfs/dbraw/zinc/89/16/01/1050891601.db2.gz LOQWDVYNPTXDJM-INIZCTEOSA-N 1 1 321.355 4.006 20 30 DIEDMO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000772987209 1050920808 /nfs/dbraw/zinc/92/08/08/1050920808.db2.gz HBXGDPUIKSPDMZ-SFHVURJKSA-N 1 1 315.363 4.218 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccncc1 ZINC000790472223 1050961253 /nfs/dbraw/zinc/96/12/53/1050961253.db2.gz XSTOCOBDQFJKEU-AWEZNQCLSA-N 1 1 301.459 4.243 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1C)Cc1c(C)cc(C#N)cc1C ZINC001171355206 1051010957 /nfs/dbraw/zinc/01/09/57/1051010957.db2.gz WOSQVGGCOWEXQR-UHFFFAOYSA-N 1 1 322.452 4.384 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000773006534 1051017345 /nfs/dbraw/zinc/01/73/45/1051017345.db2.gz ZCROVTVQWBWACT-CQSZACIVSA-N 1 1 303.837 4.201 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(Cl)cc(N)[nH+]1 ZINC001171368449 1051017835 /nfs/dbraw/zinc/01/78/35/1051017835.db2.gz FREIWJVNZGLXQD-NSHDSACASA-N 1 1 303.793 4.055 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc(NCC2CC2)cc[nH+]1 ZINC001171369766 1051019225 /nfs/dbraw/zinc/01/92/25/1051019225.db2.gz QBQNNTZTWARLDK-CQSZACIVSA-N 1 1 324.428 4.036 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCSc3c(F)cccc32)c1 ZINC000773023500 1051028401 /nfs/dbraw/zinc/02/84/01/1051028401.db2.gz GWMNHIDVTRAMNP-MRXNPFEDSA-N 1 1 316.376 4.163 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1cn2cc[nH+]c2cc1OC ZINC001171375711 1051043872 /nfs/dbraw/zinc/04/38/72/1051043872.db2.gz BOLYGYBMQDKVCH-AWEZNQCLSA-N 1 1 323.396 4.081 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1c(F)cccc1F ZINC000791569065 1051058622 /nfs/dbraw/zinc/05/86/22/1051058622.db2.gz RMRKQHMZFVEBQK-GOSISDBHSA-N 1 1 317.379 4.077 20 30 DIEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854155 1051076359 /nfs/dbraw/zinc/07/63/59/1051076359.db2.gz NCJGSGAXPSILFZ-JKIFEVAISA-N 1 1 318.848 4.395 20 30 DIEDMO C=C(Br)C[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743868499 1051086164 /nfs/dbraw/zinc/08/61/64/1051086164.db2.gz BEGNVNIAFYHDEK-OAHLLOKOSA-N 1 1 314.242 4.233 20 30 DIEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H](c2ccco2)C1 ZINC000743876370 1051088054 /nfs/dbraw/zinc/08/80/54/1051088054.db2.gz YXDRRWWHWCTDGW-LPHOPBHVSA-N 1 1 324.424 4.393 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cn1ccn(C(C)C)c1=S ZINC000744154115 1051122431 /nfs/dbraw/zinc/12/24/31/1051122431.db2.gz ZJNZNXUGRLPQBX-UHFFFAOYSA-N 1 1 315.486 4.288 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cn1ccn(C(C)C)c1=S ZINC000744154115 1051122433 /nfs/dbraw/zinc/12/24/33/1051122433.db2.gz ZJNZNXUGRLPQBX-UHFFFAOYSA-N 1 1 315.486 4.288 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000792221776 1051126077 /nfs/dbraw/zinc/12/60/77/1051126077.db2.gz OKTFBNFTLQCUMF-QGZVFWFLSA-N 1 1 318.509 4.154 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C2CCCC2)cc1F ZINC000792231152 1051129093 /nfs/dbraw/zinc/12/90/93/1051129093.db2.gz KHZZVUFBTGAVJT-UHFFFAOYSA-N 1 1 324.399 4.348 20 30 DIEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001171490588 1051143887 /nfs/dbraw/zinc/14/38/87/1051143887.db2.gz QLUMHHKAOFQCBO-HXUWFJFHSA-N 1 1 308.400 4.295 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(Br)c2)C1 ZINC001171489940 1051144176 /nfs/dbraw/zinc/14/41/76/1051144176.db2.gz KMZWKVCMLGDIOO-ZIAGYGMSSA-N 1 1 306.247 4.245 20 30 DIEDMO CC[C@H]1C[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231376 1051157976 /nfs/dbraw/zinc/15/79/76/1051157976.db2.gz AZJWUUWEUYPGQO-SJORKVTESA-N 1 1 306.837 4.013 20 30 DIEDMO CC[C@H]1C[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231376 1051157981 /nfs/dbraw/zinc/15/79/81/1051157981.db2.gz AZJWUUWEUYPGQO-SJORKVTESA-N 1 1 306.837 4.013 20 30 DIEDMO C#CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000744390233 1051169736 /nfs/dbraw/zinc/16/97/36/1051169736.db2.gz CORUWIZULLOXKL-UHFFFAOYSA-N 1 1 317.383 4.199 20 30 DIEDMO C#CC[N@H+](Cc1nc2ccccc2n1C(F)F)C1CCCCC1 ZINC000744390233 1051169741 /nfs/dbraw/zinc/16/97/41/1051169741.db2.gz CORUWIZULLOXKL-UHFFFAOYSA-N 1 1 317.383 4.199 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001171571778 1051170197 /nfs/dbraw/zinc/17/01/97/1051170197.db2.gz BLQKJDFSCOZPAQ-CYBMUJFWSA-N 1 1 316.857 4.309 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001171571778 1051170208 /nfs/dbraw/zinc/17/02/08/1051170208.db2.gz BLQKJDFSCOZPAQ-CYBMUJFWSA-N 1 1 316.857 4.309 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC001171571717 1051170646 /nfs/dbraw/zinc/17/06/46/1051170646.db2.gz AECJZTVVOITEAL-LBPRGKRZSA-N 1 1 318.214 4.041 20 30 DIEDMO C#CC[N@H+](C)C1CCC(c2ccc(Br)cc2)CC1 ZINC001171653774 1051184266 /nfs/dbraw/zinc/18/42/66/1051184266.db2.gz KOTGRMOPYQLHDG-UHFFFAOYSA-N 1 1 306.247 4.040 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2ccccc2OCC#N)c(C)c1 ZINC001212601578 1051185891 /nfs/dbraw/zinc/18/58/91/1051185891.db2.gz GMZRKBBDLHBJEB-UHFFFAOYSA-N 1 1 309.413 4.487 20 30 DIEDMO CC(C)(S)CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001170307270 1051187219 /nfs/dbraw/zinc/18/72/19/1051187219.db2.gz RMRPHSWCUSUIAY-UHFFFAOYSA-N 1 1 312.482 4.323 20 30 DIEDMO CC[N@@H+](Cc1cccnc1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388811 1051195718 /nfs/dbraw/zinc/19/57/18/1051195718.db2.gz GNRIWZRZAFNOQQ-UHFFFAOYSA-N 1 1 319.452 4.308 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388841 1051195820 /nfs/dbraw/zinc/19/58/20/1051195820.db2.gz HKWGBXPVFUPWQX-QHGAOEGBSA-N 1 1 307.441 4.016 20 30 DIEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170395717 1051196824 /nfs/dbraw/zinc/19/68/24/1051196824.db2.gz NHXIRVHBQXGEMU-DOFOLRJGSA-N 1 1 324.468 4.032 20 30 DIEDMO Cc1nc2c(s1)C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170398075 1051197494 /nfs/dbraw/zinc/19/74/94/1051197494.db2.gz KZQIKRVSFMRUOG-UHFFFAOYSA-N 1 1 323.465 4.171 20 30 DIEDMO Cc1nc2c(s1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170398075 1051197497 /nfs/dbraw/zinc/19/74/97/1051197497.db2.gz KZQIKRVSFMRUOG-UHFFFAOYSA-N 1 1 323.465 4.171 20 30 DIEDMO C[C@@H]1c2cccn2CC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396081 1051197611 /nfs/dbraw/zinc/19/76/11/1051197611.db2.gz VBCKOQPIHRHGPY-FQVISZRSSA-N 1 1 319.452 4.269 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC001171707876 1051197615 /nfs/dbraw/zinc/19/76/15/1051197615.db2.gz YKGXKXNCCRTRHJ-IBGZPJMESA-N 1 1 319.876 4.207 20 30 DIEDMO C[C@@H]1c2cccn2CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396081 1051197613 /nfs/dbraw/zinc/19/76/13/1051197613.db2.gz VBCKOQPIHRHGPY-FQVISZRSSA-N 1 1 319.452 4.269 20 30 DIEDMO Cc1ccc(C[N@H+](C)C2CCC(C#N)(c3ccccc3)CC2)cn1 ZINC001170397380 1051197718 /nfs/dbraw/zinc/19/77/18/1051197718.db2.gz AGBVMNLDAJACLO-UHFFFAOYSA-N 1 1 319.452 4.226 20 30 DIEDMO Cc1cc2c(cn1)C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170396338 1051197909 /nfs/dbraw/zinc/19/79/09/1051197909.db2.gz YQWSHGWGNMPKHZ-UHFFFAOYSA-N 1 1 317.436 4.110 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC001171846742 1051230577 /nfs/dbraw/zinc/23/05/77/1051230577.db2.gz DJVHSUSFVRTXES-OAHLLOKOSA-N 1 1 318.486 4.025 20 30 DIEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccccc1Cl ZINC000792927696 1051231721 /nfs/dbraw/zinc/23/17/21/1051231721.db2.gz RXIOIKVHHWKXIG-CABCVRRESA-N 1 1 308.853 4.288 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001171847746 1051232619 /nfs/dbraw/zinc/23/26/19/1051232619.db2.gz QXKSJFLIMFFWMX-ZDUSSCGKSA-N 1 1 319.246 4.109 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001171847745 1051234176 /nfs/dbraw/zinc/23/41/76/1051234176.db2.gz QXKSJFLIMFFWMX-CYBMUJFWSA-N 1 1 319.246 4.109 20 30 DIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC3(CCCC3)CC2)cc1 ZINC001171917503 1051240595 /nfs/dbraw/zinc/24/05/95/1051240595.db2.gz XZQJFMBLXLFDIV-UHFFFAOYSA-N 1 1 324.468 4.043 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171985905 1051271902 /nfs/dbraw/zinc/27/19/02/1051271902.db2.gz DFRDIMJNHVAWII-IBGZPJMESA-N 1 1 300.490 4.328 20 30 DIEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172055752 1051273024 /nfs/dbraw/zinc/27/30/24/1051273024.db2.gz CQMWECBGGPNWKF-INIZCTEOSA-N 1 1 322.493 4.207 20 30 DIEDMO CC(C)(C)C#CCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076686 1051276751 /nfs/dbraw/zinc/27/67/51/1051276751.db2.gz KZLFSGFPPNPESP-WKCHPHFGSA-N 1 1 324.512 4.211 20 30 DIEDMO CC(C)(C)C#CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172076686 1051276781 /nfs/dbraw/zinc/27/67/81/1051276781.db2.gz KZLFSGFPPNPESP-WKCHPHFGSA-N 1 1 324.512 4.211 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC#Cc2ccccc2)cc1 ZINC001170429625 1051282563 /nfs/dbraw/zinc/28/25/63/1051282563.db2.gz RMRNJHVXLKSOEX-JOCHJYFZSA-N 1 1 316.448 4.473 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(Nc2c(C)cc(C#N)cc2C)cc1 ZINC001215646842 1051284596 /nfs/dbraw/zinc/28/45/96/1051284596.db2.gz JBGVSXWRLDPZHV-UHFFFAOYSA-N 1 1 302.381 4.413 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793620932 1051329709 /nfs/dbraw/zinc/32/97/09/1051329709.db2.gz UNYUGSXCXKYNFJ-KRWDZBQOSA-N 1 1 318.420 4.267 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001172307938 1051335340 /nfs/dbraw/zinc/33/53/40/1051335340.db2.gz RFEJLRGRKQEVJX-MAUKXSAKSA-N 1 1 308.400 4.118 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172310550 1051335962 /nfs/dbraw/zinc/33/59/62/1051335962.db2.gz GEJDDIKQXVOVKL-QGZVFWFLSA-N 1 1 322.452 4.062 20 30 DIEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746207375 1051336400 /nfs/dbraw/zinc/33/64/00/1051336400.db2.gz FUHYGHBFVJABJS-HKUYNNGSSA-N 1 1 320.521 4.212 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172309645 1051336483 /nfs/dbraw/zinc/33/64/83/1051336483.db2.gz AZBYEJRWJZWBBH-KKSFZXQISA-N 1 1 304.437 4.499 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001172314633 1051337566 /nfs/dbraw/zinc/33/75/66/1051337566.db2.gz KZRUUHYLKGIAHE-QRWLVFNGSA-N 1 1 308.400 4.465 20 30 DIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311816 1051338185 /nfs/dbraw/zinc/33/81/85/1051338185.db2.gz YYEDWXNTHSKBHR-SJORKVTESA-N 1 1 322.452 4.061 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c3ccccc3oc2C1 ZINC001172311513 1051338456 /nfs/dbraw/zinc/33/84/56/1051338456.db2.gz SUSVJHIJMSXFMC-HNNXBMFYSA-N 1 1 316.404 4.294 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311989 1051338544 /nfs/dbraw/zinc/33/85/44/1051338544.db2.gz DEOCEOMTOLLHGD-QGZVFWFLSA-N 1 1 321.468 4.077 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1Cl ZINC001172318383 1051340357 /nfs/dbraw/zinc/34/03/57/1051340357.db2.gz FOOIVWUCEOMHCD-HNNXBMFYSA-N 1 1 312.844 4.317 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001172319557 1051340668 /nfs/dbraw/zinc/34/06/68/1051340668.db2.gz OQWGMHNYNCFVGA-DNVCBOLYSA-N 1 1 308.400 4.118 20 30 DIEDMO C=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657321 1051356594 /nfs/dbraw/zinc/35/65/94/1051356594.db2.gz SBLKKHMKGCUZAE-DENIHFKCSA-N 1 1 320.480 4.343 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001172355304 1051369701 /nfs/dbraw/zinc/36/97/01/1051369701.db2.gz NSQRMKSLUZKLES-IBGZPJMESA-N 1 1 322.537 4.460 20 30 DIEDMO CCC[N@@H+]([C@H](C)CCCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC001172498087 1051418573 /nfs/dbraw/zinc/41/85/73/1051418573.db2.gz IPPWIJAXSGNVJY-IAGOWNOFSA-N 1 1 315.461 4.116 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001172501268 1051420107 /nfs/dbraw/zinc/42/01/07/1051420107.db2.gz PTXRZTQRUBVXHT-HIFRSBDPSA-N 1 1 321.262 4.321 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](c2ccc(Br)cc2)C1 ZINC001172501283 1051420768 /nfs/dbraw/zinc/42/07/68/1051420768.db2.gz PTXRZTQRUBVXHT-ZFWWWQNUSA-N 1 1 321.262 4.321 20 30 DIEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001172504936 1051422959 /nfs/dbraw/zinc/42/29/59/1051422959.db2.gz JDGVJLURRXLZQV-LBPRGKRZSA-N 1 1 300.324 4.099 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172504552 1051423000 /nfs/dbraw/zinc/42/30/00/1051423000.db2.gz GFOJGIJPYHNVSM-ULQDDVLXSA-N 1 1 305.453 4.260 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](OCc2ccc(Cl)cc2)C1 ZINC001172503508 1051423056 /nfs/dbraw/zinc/42/30/56/1051423056.db2.gz AZJCKSFDVQNIOX-CRAIPNDOSA-N 1 1 320.864 4.403 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503667 1051423084 /nfs/dbraw/zinc/42/30/84/1051423084.db2.gz ZNGGJKMIGJQJEM-IAGOWNOFSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172505487 1051424512 /nfs/dbraw/zinc/42/45/12/1051424512.db2.gz NZCOEYGQTIFQKK-FUHWJXTLSA-N 1 1 310.482 4.090 20 30 DIEDMO CCCCCCC[C@@H](CCC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172508351 1051424866 /nfs/dbraw/zinc/42/48/66/1051424866.db2.gz JKGQPCDZUXTNLD-LJQANCHMSA-N 1 1 324.553 4.216 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC001172508356 1051425392 /nfs/dbraw/zinc/42/53/92/1051425392.db2.gz CJRDRGOJICFZEA-NCOADZHNSA-N 1 1 320.477 4.044 20 30 DIEDMO CCCCOc1ccccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000766437708 1051425458 /nfs/dbraw/zinc/42/54/58/1051425458.db2.gz IMSLSZIFFBMITH-UHFFFAOYSA-N 1 1 312.388 4.166 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512080 1051428367 /nfs/dbraw/zinc/42/83/67/1051428367.db2.gz YNSVRPJRRIMIGS-CEXWTWQISA-N 1 1 322.537 4.458 20 30 DIEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC(C)(C)OC(C)(C)C1 ZINC001172659420 1051474334 /nfs/dbraw/zinc/47/43/34/1051474334.db2.gz VPIQKSJETZIQPA-LJQANCHMSA-N 1 1 311.469 4.345 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000177913415 1051555010 /nfs/dbraw/zinc/55/50/10/1051555010.db2.gz VWSIPABONONHRZ-LBPRGKRZSA-N 1 1 313.272 4.294 20 30 DIEDMO C=C(Cl)C[N@@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001169262574 1051558912 /nfs/dbraw/zinc/55/89/12/1051558912.db2.gz ZXOQTFCEBLCEEH-SNVBAGLBSA-N 1 1 308.636 4.445 20 30 DIEDMO C=C(Cl)C[N@H+](C)C[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC001169262574 1051558921 /nfs/dbraw/zinc/55/89/21/1051558921.db2.gz ZXOQTFCEBLCEEH-SNVBAGLBSA-N 1 1 308.636 4.445 20 30 DIEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172883415 1051566403 /nfs/dbraw/zinc/56/64/03/1051566403.db2.gz UNJGUTBVPOUDAV-KBPBESRZSA-N 1 1 308.878 4.446 20 30 DIEDMO C=CC[N@@H+]([C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172911624 1051581244 /nfs/dbraw/zinc/58/12/44/1051581244.db2.gz DBLGTUCHDFTFHC-MRXNPFEDSA-N 1 1 302.418 4.129 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000737803485 1051599066 /nfs/dbraw/zinc/59/90/66/1051599066.db2.gz CJBAIMWMABDVJS-QOLSVTOYSA-N 1 1 320.521 4.426 20 30 DIEDMO CCCCCCCC[N@@H+](CCN)C1CCC(OCCC)CC1 ZINC001173093974 1051600112 /nfs/dbraw/zinc/60/01/12/1051600112.db2.gz FJHIYDNOWLZIRL-UHFFFAOYSA-N 1 1 312.542 4.345 20 30 DIEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001170478061 1051623938 /nfs/dbraw/zinc/62/39/38/1051623938.db2.gz AFMGZVOPEVFVPT-IBGZPJMESA-N 1 1 300.446 4.228 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001173309761 1051681828 /nfs/dbraw/zinc/68/18/28/1051681828.db2.gz KWJJZLUALWRYIN-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839845 1051689315 /nfs/dbraw/zinc/68/93/15/1051689315.db2.gz UGIOFEJACBSQEK-RDJZCZTQSA-N 1 1 300.446 4.236 20 30 DIEDMO C=CCOC1CCC([N@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC001173323573 1051692245 /nfs/dbraw/zinc/69/22/45/1051692245.db2.gz DQRWCXFTGJHATQ-GTPINHCMSA-N 1 1 303.446 4.202 20 30 DIEDMO C=CCOC1CCC([N@H+](C)[C@H](C)Cc2ccccc2OC)CC1 ZINC001173322899 1051693109 /nfs/dbraw/zinc/69/31/09/1051693109.db2.gz PFEDPEJFVASFGX-IPJUCJBFSA-N 1 1 317.473 4.072 20 30 DIEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC001173326712 1051694554 /nfs/dbraw/zinc/69/45/54/1051694554.db2.gz NYWXVHJTQXRHRY-IVMQYODDSA-N 1 1 303.421 4.129 20 30 DIEDMO CC(C)CC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173329515 1051694630 /nfs/dbraw/zinc/69/46/30/1051694630.db2.gz FSZJGKGIABFFKP-JCYILVPMSA-N 1 1 322.493 4.195 20 30 DIEDMO C=CCOC1CCC([N@H+](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001173326528 1051694891 /nfs/dbraw/zinc/69/48/91/1051694891.db2.gz JJTLHBRWMRUSIA-DMKPSLHHSA-N 1 1 303.446 4.202 20 30 DIEDMO N#CCC1CCC([N@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001173336630 1051696887 /nfs/dbraw/zinc/69/68/87/1051696887.db2.gz HCAHAGHMJLBYMA-JTTJXQCZSA-N 1 1 318.848 4.186 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCOC[C@@H]2c2ccccc2Cl)CC1 ZINC001173336630 1051696922 /nfs/dbraw/zinc/69/69/22/1051696922.db2.gz HCAHAGHMJLBYMA-JTTJXQCZSA-N 1 1 318.848 4.186 20 30 DIEDMO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346802 1051706007 /nfs/dbraw/zinc/70/60/07/1051706007.db2.gz RNYKUJDPHBSNKW-HZPDHXFCSA-N 1 1 305.487 4.154 20 30 DIEDMO O=C1C=C2C[N@@H+]([C@@H]3CCCC4(CCCCC4)C3)CCC2S1 ZINC001173346800 1051706947 /nfs/dbraw/zinc/70/69/47/1051706947.db2.gz RNYKUJDPHBSNKW-CVEARBPZSA-N 1 1 305.487 4.154 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C(=O)OC)ccc2F)CCCC1(C)C ZINC001169844140 1051712147 /nfs/dbraw/zinc/71/21/47/1051712147.db2.gz KUXRAGRIDLZWOE-KRWDZBQOSA-N 1 1 319.420 4.179 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCCC[C@H]2c2cccnc2)CC1 ZINC001173319901 1051713537 /nfs/dbraw/zinc/71/35/37/1051713537.db2.gz AHXDGHGHQATFNK-ACBHZAAOSA-N 1 1 300.446 4.122 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152547090 1051723185 /nfs/dbraw/zinc/72/31/85/1051723185.db2.gz JVQNEASBTTWAHA-ZDUSSCGKSA-N 1 1 319.836 4.273 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152547090 1051723197 /nfs/dbraw/zinc/72/31/97/1051723197.db2.gz JVQNEASBTTWAHA-ZDUSSCGKSA-N 1 1 319.836 4.273 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCCCC(=O)OC ZINC001173455613 1051728932 /nfs/dbraw/zinc/72/89/32/1051728932.db2.gz RGOYIJGKTBPQSO-KRWDZBQOSA-N 1 1 303.446 4.187 20 30 DIEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cc(Br)ccc1OC ZINC000766895155 1051739337 /nfs/dbraw/zinc/73/93/37/1051739337.db2.gz JOHZRAOEADNCHL-OAHLLOKOSA-N 1 1 322.246 4.008 20 30 DIEDMO CC1(C#N)CCC([N@H+]2Cc3ccc(Br)cc3C2)CC1 ZINC001173592581 1051755975 /nfs/dbraw/zinc/75/59/75/1051755975.db2.gz UOXXAWKLPGKUMF-UHFFFAOYSA-N 1 1 319.246 4.237 20 30 DIEDMO C[N@H+](C1CCN(C2CCCCC2)CC1)C1CCC(C)(C#N)CC1 ZINC001173596847 1051757064 /nfs/dbraw/zinc/75/70/64/1051757064.db2.gz FUVNMVVFZPVWIX-UHFFFAOYSA-N 1 1 317.521 4.188 20 30 DIEDMO C[N@@H+](C1CCN(C2CCCCC2)CC1)C1CCC(C)(C#N)CC1 ZINC001173596847 1051757078 /nfs/dbraw/zinc/75/70/78/1051757078.db2.gz FUVNMVVFZPVWIX-UHFFFAOYSA-N 1 1 317.521 4.188 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1)c1ccn(C2CCC(C)(C#N)CC2)n1 ZINC001173597960 1051757291 /nfs/dbraw/zinc/75/72/91/1051757291.db2.gz KHORKEKIOIWFCS-PPDQVPDSSA-N 1 1 322.456 4.379 20 30 DIEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCC#N ZINC000185929716 1051790229 /nfs/dbraw/zinc/79/02/29/1051790229.db2.gz LXQYWOCIFRVJFI-CQSZACIVSA-N 1 1 309.251 4.006 20 30 DIEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCCCC#N ZINC000185926227 1051790953 /nfs/dbraw/zinc/79/09/53/1051790953.db2.gz WRQYIAIQUUTHOX-OAHLLOKOSA-N 1 1 323.278 4.396 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cnc2ccccn12)c1ccc(F)c(F)c1 ZINC000187372804 1051843160 /nfs/dbraw/zinc/84/31/60/1051843160.db2.gz NFGCIUUTRBMQJF-SFHVURJKSA-N 1 1 313.351 4.020 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494288748 1051872080 /nfs/dbraw/zinc/87/20/80/1051872080.db2.gz VLTSKMDPXABZCL-LFIBNONCSA-N 1 1 306.409 4.102 20 30 DIEDMO CCCC[C@@H](C)[N@@H+](CCCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC001170520621 1051886186 /nfs/dbraw/zinc/88/61/86/1051886186.db2.gz YGBRTDWPGBYLHS-VQIMIIECSA-N 1 1 302.462 4.272 20 30 DIEDMO CCCC[C@@H](C)[N@@H+](CCCC)C[C@H](O)c1ccc(C#N)cc1 ZINC001170520618 1051887041 /nfs/dbraw/zinc/88/70/41/1051887041.db2.gz YGBRTDWPGBYLHS-APWZRJJASA-N 1 1 302.462 4.272 20 30 DIEDMO CC[C@@H](C)Oc1cc(C[N@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153181 1051889441 /nfs/dbraw/zinc/88/94/41/1051889441.db2.gz ACLPLIKAHBWNGV-MRXNPFEDSA-N 1 1 318.461 4.244 20 30 DIEDMO CC[C@@H](C)Oc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1OC ZINC000768153181 1051889446 /nfs/dbraw/zinc/88/94/46/1051889446.db2.gz ACLPLIKAHBWNGV-MRXNPFEDSA-N 1 1 318.461 4.244 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000768155240 1051889834 /nfs/dbraw/zinc/88/98/34/1051889834.db2.gz XDXBBQIXMMPMAW-UHFFFAOYSA-N 1 1 316.836 4.102 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000768155240 1051889849 /nfs/dbraw/zinc/88/98/49/1051889849.db2.gz XDXBBQIXMMPMAW-UHFFFAOYSA-N 1 1 316.836 4.102 20 30 DIEDMO C=CCCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000807591105 1051914535 /nfs/dbraw/zinc/91/45/35/1051914535.db2.gz AHKIERCHLQSBRE-ROUUACIJSA-N 1 1 323.525 4.027 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768335278 1051918878 /nfs/dbraw/zinc/91/88/78/1051918878.db2.gz LDYKUTGQFKNTLT-KRWDZBQOSA-N 1 1 308.425 4.308 20 30 DIEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cnc1Cl ZINC000768335631 1051920015 /nfs/dbraw/zinc/92/00/15/1051920015.db2.gz YPWWRULFIBZEJL-UHFFFAOYSA-N 1 1 313.832 4.326 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000768339215 1051922304 /nfs/dbraw/zinc/92/23/04/1051922304.db2.gz SAZVWEQYMIAGSM-UHFFFAOYSA-N 1 1 311.473 4.334 20 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/nfs/dbraw/zinc/99/53/67/1051995367.db2.gz RIDLSCOZHHOJOW-LJQANCHMSA-N 1 1 304.393 4.210 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc2ccccc21 ZINC000769104662 1052001331 /nfs/dbraw/zinc/00/13/31/1052001331.db2.gz IYQQFLYYXTZGSR-UHFFFAOYSA-N 1 1 313.404 4.295 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1c(O)cccc1Cl ZINC000769104530 1052001853 /nfs/dbraw/zinc/00/18/53/1052001853.db2.gz IUWRRBRCRGMZIF-UHFFFAOYSA-N 1 1 312.800 4.105 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)cccc1Cl ZINC000769104530 1052001857 /nfs/dbraw/zinc/00/18/57/1052001857.db2.gz IUWRRBRCRGMZIF-UHFFFAOYSA-N 1 1 312.800 4.105 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1 ZINC000769165958 1052004885 /nfs/dbraw/zinc/00/48/85/1052004885.db2.gz XIVMGFWKCHYKAH-RDJZCZTQSA-N 1 1 300.446 4.378 20 30 DIEDMO C[C@@H](C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000769319186 1052023851 /nfs/dbraw/zinc/02/38/51/1052023851.db2.gz UROGFHQTSLQAKW-SFHVURJKSA-N 1 1 321.468 4.272 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1)c1ccccc1 ZINC000769319185 1052024113 /nfs/dbraw/zinc/02/41/13/1052024113.db2.gz UROGFHQTSLQAKW-GOSISDBHSA-N 1 1 321.468 4.272 20 30 DIEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769426899 1052044914 /nfs/dbraw/zinc/04/49/14/1052044914.db2.gz KDQDGHPEPKVAIT-AEFFLSMTSA-N 1 1 300.446 4.236 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1 ZINC000769427284 1052046533 /nfs/dbraw/zinc/04/65/33/1052046533.db2.gz XGPMBXQXTIAIPJ-LSDHHAIUSA-N 1 1 324.399 4.236 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)cc1 ZINC000769427284 1052046539 /nfs/dbraw/zinc/04/65/39/1052046539.db2.gz XGPMBXQXTIAIPJ-LSDHHAIUSA-N 1 1 324.399 4.236 20 30 DIEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769484491 1052051583 /nfs/dbraw/zinc/05/15/83/1052051583.db2.gz KDHNBVBKCITBBJ-SJLPKXTDSA-N 1 1 300.446 4.378 20 30 DIEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769484489 1052052502 /nfs/dbraw/zinc/05/25/02/1052052502.db2.gz KDHNBVBKCITBBJ-AEFFLSMTSA-N 1 1 300.446 4.378 20 30 DIEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769505716 1052067812 /nfs/dbraw/zinc/06/78/12/1052067812.db2.gz LVEFVJWQDZLQEH-WMZOPIPTSA-N 1 1 300.446 4.236 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000769550052 1052080091 /nfs/dbraw/zinc/08/00/91/1052080091.db2.gz YPLMBZTWHLEXPW-LEWJYISDSA-N 1 1 319.452 4.024 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccn(-c2ccccc2)n1 ZINC000769708041 1052095514 /nfs/dbraw/zinc/09/55/14/1052095514.db2.gz GVMUFUXDIBLTEU-UHFFFAOYSA-N 1 1 310.445 4.024 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nnc(-c2cccc(OC)c2)o1 ZINC001217737754 1052130153 /nfs/dbraw/zinc/13/01/53/1052130153.db2.gz GDWGSFFKALVCBH-INIZCTEOSA-N 1 1 317.433 4.496 20 30 DIEDMO Cc1[nH+]c(C=NNc2ccc(Cl)c(Cl)c2)c2ccccn12 ZINC000914600558 1052188470 /nfs/dbraw/zinc/18/84/70/1052188470.db2.gz AVFUWGXGGCBAJY-UHFFFAOYSA-N 1 1 319.195 4.396 20 30 DIEDMO CCOc1c(Cl)cccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000495097942 1052217384 /nfs/dbraw/zinc/21/73/84/1052217384.db2.gz LLIWSTMOVQFTDY-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CCOc1c(Cl)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000495097942 1052217394 /nfs/dbraw/zinc/21/73/94/1052217394.db2.gz LLIWSTMOVQFTDY-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C=CC[C@@H](Oc1ccc(C(=O)C[NH3+])cc1)c1ccc(Cl)cc1 ZINC001218442129 1052239954 /nfs/dbraw/zinc/23/99/54/1052239954.db2.gz AGJHZMSEYLCANC-GOSISDBHSA-N 1 1 315.800 4.178 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)Cc1ccsc1 ZINC000495191623 1052252898 /nfs/dbraw/zinc/25/28/98/1052252898.db2.gz HJCKRYYIMUZXKA-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(Cl)cc1C#N ZINC000303151672 1052316037 /nfs/dbraw/zinc/31/60/37/1052316037.db2.gz CRVMBNDKMZATQV-CQSZACIVSA-N 1 1 305.853 4.278 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421922 1052343354 /nfs/dbraw/zinc/34/33/54/1052343354.db2.gz 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C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(Cl)c(F)c1 ZINC000762928010 1052457186 /nfs/dbraw/zinc/45/71/86/1052457186.db2.gz QOXDOIJASMQRJX-UHFFFAOYSA-N 1 1 318.779 4.013 20 30 DIEDMO C=C[C@H](C)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000153696280 1052470047 /nfs/dbraw/zinc/47/00/47/1052470047.db2.gz LPEVTYIXNXYUHB-NSHDSACASA-N 1 1 308.834 4.040 20 30 DIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000387138409 1052476704 /nfs/dbraw/zinc/47/67/04/1052476704.db2.gz CKWALGSFIVBWJP-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000054978926 1052523272 /nfs/dbraw/zinc/52/32/72/1052523272.db2.gz SYVVLOXQKDGAIL-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC(C(C)(C)C)CC1 ZINC000763232138 1052550183 /nfs/dbraw/zinc/55/01/83/1052550183.db2.gz RAAKNKNWKOKUSH-CTWPCTMYSA-N 1 1 314.473 4.128 20 30 DIEDMO C=C[C@@H](O[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC001223310470 1052586762 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LIBNXMIUTYWLJI-UZLBHIALSA-N 1 1 306.409 4.083 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(Cl)ccc1C#N ZINC000609891741 1052997799 /nfs/dbraw/zinc/99/77/99/1052997799.db2.gz IPZKRJNQTXCLIR-AWEZNQCLSA-N 1 1 305.853 4.278 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000609916571 1052999086 /nfs/dbraw/zinc/99/90/86/1052999086.db2.gz XWSCKIZRIKOGBQ-SUMWQHHRSA-N 1 1 312.363 4.214 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCOc2ccccc2C#N)C1 ZINC000610001990 1053002293 /nfs/dbraw/zinc/00/22/93/1053002293.db2.gz RSINCJASCSFYJO-HKUYNNGSSA-N 1 1 320.436 4.124 20 30 DIEDMO C=CC[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1F ZINC000615353678 1053013786 /nfs/dbraw/zinc/01/37/86/1053013786.db2.gz NMRXYCKRLRRHJZ-UHFFFAOYSA-N 1 1 321.399 4.200 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1ccccc1F ZINC000615353678 1053013792 /nfs/dbraw/zinc/01/37/92/1053013792.db2.gz NMRXYCKRLRRHJZ-UHFFFAOYSA-N 1 1 321.399 4.200 20 30 DIEDMO Cc1cc(C#N)cc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC001227839252 1053020485 /nfs/dbraw/zinc/02/04/85/1053020485.db2.gz XHBMZWORACRCME-UWJYYQICSA-N 1 1 320.436 4.156 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1 ZINC000179906723 1053034903 /nfs/dbraw/zinc/03/49/03/1053034903.db2.gz WSMGVXBNXMTVSE-MGPUTAFESA-N 1 1 306.409 4.097 20 30 DIEDMO Cc1c(C#N)cccc1O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001228027945 1053038300 /nfs/dbraw/zinc/03/83/00/1053038300.db2.gz TVCXCNLWPZKGDN-UZLBHIALSA-N 1 1 320.436 4.156 20 30 DIEDMO N#CCC1(C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001559535206 1053135604 /nfs/dbraw/zinc/13/56/04/1053135604.db2.gz JBJCYIKPYDEAEX-HNNXBMFYSA-N 1 1 306.862 4.124 20 30 DIEDMO N#CCC1(C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001559535206 1053135609 /nfs/dbraw/zinc/13/56/09/1053135609.db2.gz JBJCYIKPYDEAEX-HNNXBMFYSA-N 1 1 306.862 4.124 20 30 DIEDMO C=CCc1ccccc1O[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001228845626 1053190821 /nfs/dbraw/zinc/19/08/21/1053190821.db2.gz DLAAUYFCLDQWEP-GOSISDBHSA-N 1 1 308.425 4.166 20 30 DIEDMO CCCCCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181437280 1053208851 /nfs/dbraw/zinc/20/88/51/1053208851.db2.gz IJZKIPNQYHMUSU-DLBZAZTESA-N 1 1 308.510 4.116 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945344 1053211678 /nfs/dbraw/zinc/21/16/78/1053211678.db2.gz UHFRYDOYLAAIPZ-INIZCTEOSA-N 1 1 323.436 4.379 20 30 DIEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccc1F ZINC001319798120 1053274359 /nfs/dbraw/zinc/27/43/59/1053274359.db2.gz AFZIFUDEHIIYNB-HNNXBMFYSA-N 1 1 312.388 4.139 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccccc1 ZINC001320081191 1053302024 /nfs/dbraw/zinc/30/20/24/1053302024.db2.gz GBTLKDUFZZLKES-GOEBONIOSA-N 1 1 310.466 4.122 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)c1ccccc1 ZINC001320081193 1053302746 /nfs/dbraw/zinc/30/27/46/1053302746.db2.gz GBTLKDUFZZLKES-ZBFHGGJFSA-N 1 1 310.466 4.122 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(N2CCCC2)c1 ZINC000181885303 1053305708 /nfs/dbraw/zinc/30/57/08/1053305708.db2.gz FPOHTJMQFLQUNT-OAHLLOKOSA-N 1 1 323.415 4.148 20 30 DIEDMO CC[N@H+]1CC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428151 1053317768 /nfs/dbraw/zinc/31/77/68/1053317768.db2.gz IDPPLRVHZXLUFB-BNCSFYMNSA-N 1 1 321.420 4.056 20 30 DIEDMO C=CCO[C@H]1CC[N@H+]([C@H](CC)c2ccc(Br)cc2)C1 ZINC001320320877 1053325824 /nfs/dbraw/zinc/32/58/24/1053325824.db2.gz KHINYDUIYITYKN-JKSUJKDBSA-N 1 1 324.262 4.177 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1F ZINC001320480361 1053337772 /nfs/dbraw/zinc/33/77/72/1053337772.db2.gz NGJKJYDDAKXSOV-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C=C[C@@H](COC)[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC001320592633 1053348399 /nfs/dbraw/zinc/34/83/99/1053348399.db2.gz SDVYFGDDHBDOFQ-WPRPVWTQSA-N 1 1 306.258 4.223 20 30 DIEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC001320825575 1053363726 /nfs/dbraw/zinc/36/37/26/1053363726.db2.gz PXLBVNWNHVHHDS-MRXNPFEDSA-N 1 1 302.462 4.278 20 30 DIEDMO CC[C@]1(c2cccc(O[C@@H](C)CS)c2)CCCC[N@@H+](C)C1 ZINC001229648461 1053374689 /nfs/dbraw/zinc/37/46/89/1053374689.db2.gz VDLVXUZYYYPZAI-YJBOKZPZSA-N 1 1 307.503 4.147 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000093317155 1053383650 /nfs/dbraw/zinc/38/36/50/1053383650.db2.gz HNFMHNJMKALVPW-SFHVURJKSA-N 1 1 303.446 4.033 20 30 DIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccnc1)CC1CCCCC1 ZINC000093382942 1053397499 /nfs/dbraw/zinc/39/74/99/1053397499.db2.gz JEWJPNVDGXDNOF-UHFFFAOYSA-N 1 1 324.472 4.050 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405892 1053402832 /nfs/dbraw/zinc/40/28/32/1053402832.db2.gz WGDMULFZFNXYEQ-LJQANCHMSA-N 1 1 316.489 4.085 20 30 DIEDMO C[C@@H]1SCC[N@@H+](CC(C)(C)CCC#N)[C@@H]1c1ccccc1 ZINC000093535721 1053421305 /nfs/dbraw/zinc/42/13/05/1053421305.db2.gz JNKRVHUPWCOCAA-RDJZCZTQSA-N 1 1 302.487 4.495 20 30 DIEDMO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1c(C)noc1C ZINC000182429610 1053433287 /nfs/dbraw/zinc/43/32/87/1053433287.db2.gz DOBISDLHLVMABM-INIZCTEOSA-N 1 1 302.805 4.037 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1ccco1 ZINC001321903590 1053442345 /nfs/dbraw/zinc/44/23/45/1053442345.db2.gz IZYYHFZHSWEMEA-OAHLLOKOSA-N 1 1 322.355 4.116 20 30 DIEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC001435297192 1053501685 /nfs/dbraw/zinc/50/16/85/1053501685.db2.gz XSXXDUKMZXBOEQ-UHFFFAOYSA-N 1 1 308.510 4.214 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CC#N ZINC001230276666 1053511214 /nfs/dbraw/zinc/51/12/14/1053511214.db2.gz ZRANCOKVMURGQL-FXAWDEMLSA-N 1 1 320.436 4.042 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000619725028 1053543279 /nfs/dbraw/zinc/54/32/79/1053543279.db2.gz ZSQVMFMYMFCSIK-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cn1 ZINC000619754970 1053547103 /nfs/dbraw/zinc/54/71/03/1053547103.db2.gz PSBIWDGLLCXUMC-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(F)c1F ZINC000619755396 1053547511 /nfs/dbraw/zinc/54/75/11/1053547511.db2.gz HREASSGNILPXQG-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cn1 ZINC000619754971 1053549062 /nfs/dbraw/zinc/54/90/62/1053549062.db2.gz PSBIWDGLLCXUMC-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)ccc1F ZINC000619747025 1053554127 /nfs/dbraw/zinc/55/41/27/1053554127.db2.gz ZONMODTUYIZPRY-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)c1ccsc1 ZINC000619783678 1053559867 /nfs/dbraw/zinc/55/98/67/1053559867.db2.gz XPXCACYYJGWGMR-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO C=CCc1cccc(O[C@@H]2CCCN(c3ccc(C)c[nH+]3)C2)c1 ZINC001231010412 1053649384 /nfs/dbraw/zinc/64/93/84/1053649384.db2.gz QSMQHUZDHRACFD-LJQANCHMSA-N 1 1 308.425 4.166 20 30 DIEDMO Cc1csc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)n1 ZINC000183514939 1053669645 /nfs/dbraw/zinc/66/96/45/1053669645.db2.gz HAGYXBLXOMDIOA-INIZCTEOSA-N 1 1 316.857 4.197 20 30 DIEDMO Cc1csc([C@H]([NH2+]CC#Cc2ccc(Cl)cc2)C2CC2)n1 ZINC000183522341 1053670176 /nfs/dbraw/zinc/67/01/76/1053670176.db2.gz VBLRHENFZCIHSE-MRXNPFEDSA-N 1 1 316.857 4.197 20 30 DIEDMO CC(C)[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000163197590 1053673028 /nfs/dbraw/zinc/67/30/28/1053673028.db2.gz SKUWZDBARVYSAZ-UHFFFAOYSA-N 1 1 323.371 4.249 20 30 DIEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231202583 1053701926 /nfs/dbraw/zinc/70/19/26/1053701926.db2.gz LOFJQNFOWIBGIR-LNKKFFRNSA-N 1 1 308.425 4.300 20 30 DIEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200997 1053702057 /nfs/dbraw/zinc/70/20/57/1053702057.db2.gz WBGLUBYFWPZHOM-DOAWATSRSA-N 1 1 308.425 4.299 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1cccc(C(=O)OC)n1 ZINC001231427390 1053748052 /nfs/dbraw/zinc/74/80/52/1053748052.db2.gz GSENSSGSRLUJSD-UHFFFAOYSA-N 1 1 320.477 4.441 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c(C(F)(F)F)nc2sccn12 ZINC001231437559 1053750890 /nfs/dbraw/zinc/75/08/90/1053750890.db2.gz VOPXVLFBYWMRCA-UHFFFAOYSA-N 1 1 317.380 4.203 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC001231567804 1053786758 /nfs/dbraw/zinc/78/67/58/1053786758.db2.gz DKRKUYVNRZRZBS-UHFFFAOYSA-N 1 1 315.642 4.228 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(Cl)c(Br)c1 ZINC001231567804 1053786769 /nfs/dbraw/zinc/78/67/69/1053786769.db2.gz DKRKUYVNRZRZBS-UHFFFAOYSA-N 1 1 315.642 4.228 20 30 DIEDMO C[N@@H+](Cc1ccncc1)Cc1ccccc1C#Cc1ccccc1 ZINC001231577062 1053789156 /nfs/dbraw/zinc/78/91/56/1053789156.db2.gz OVXLXBKDXFOJTO-UHFFFAOYSA-N 1 1 312.416 4.113 20 30 DIEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000183838510 1053801677 /nfs/dbraw/zinc/80/16/77/1053801677.db2.gz ZQUHWPDPWTVZPI-CQSZACIVSA-N 1 1 314.816 4.168 20 30 DIEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1 ZINC001231624901 1053805372 /nfs/dbraw/zinc/80/53/72/1053805372.db2.gz GVPVDQXZDFPOAU-MRXNPFEDSA-N 1 1 311.425 4.453 20 30 DIEDMO C#Cc1cccc(C[N@@H+](C)Cc2ccccc2Br)c1 ZINC001231656340 1053820859 /nfs/dbraw/zinc/82/08/59/1053820859.db2.gz KZDXQGYEPGJJJQ-UHFFFAOYSA-N 1 1 314.226 4.062 20 30 DIEDMO C#Cc1cccc(C[N@H+](C)Cc2ccccc2Br)c1 ZINC001231656340 1053820876 /nfs/dbraw/zinc/82/08/76/1053820876.db2.gz KZDXQGYEPGJJJQ-UHFFFAOYSA-N 1 1 314.226 4.062 20 30 DIEDMO C#Cc1cccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)c1 ZINC001231658552 1053821654 /nfs/dbraw/zinc/82/16/54/1053821654.db2.gz YYWJUUKAMDLADO-UHFFFAOYSA-N 1 1 312.416 4.265 20 30 DIEDMO C#Cc1cccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)c1 ZINC001231658552 1053821672 /nfs/dbraw/zinc/82/16/72/1053821672.db2.gz YYWJUUKAMDLADO-UHFFFAOYSA-N 1 1 312.416 4.265 20 30 DIEDMO C#Cc1cccc(C[N@@H+](C)[C@H](CCC)C(=O)c2ccccc2)c1 ZINC001231660907 1053826838 /nfs/dbraw/zinc/82/68/38/1053826838.db2.gz LECMDXYDIGBHDO-HXUWFJFHSA-N 1 1 305.421 4.151 20 30 DIEDMO C#Cc1cccc(C[N@H+](C)[C@H](CCC)C(=O)c2ccccc2)c1 ZINC001231660907 1053826849 /nfs/dbraw/zinc/82/68/49/1053826849.db2.gz LECMDXYDIGBHDO-HXUWFJFHSA-N 1 1 305.421 4.151 20 30 DIEDMO C#Cc1cccc(C[N@H+](Cc2cc(C)no2)Cc2ccccc2)c1 ZINC001231661514 1053827476 /nfs/dbraw/zinc/82/74/76/1053827476.db2.gz VHIGGJXZWLCKJW-UHFFFAOYSA-N 1 1 316.404 4.167 20 30 DIEDMO C#Cc1cccc(C[N@@H+](Cc2cc(C)no2)Cc2ccccc2)c1 ZINC001231661514 1053827495 /nfs/dbraw/zinc/82/74/95/1053827495.db2.gz VHIGGJXZWLCKJW-UHFFFAOYSA-N 1 1 316.404 4.167 20 30 DIEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H](c3cccc(OC)c3)C2)c1 ZINC001231661763 1053827760 /nfs/dbraw/zinc/82/77/60/1053827760.db2.gz ZCFYLTDFZZKHEV-FQEVSTJZSA-N 1 1 305.421 4.056 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001328381741 1053925470 /nfs/dbraw/zinc/92/54/70/1053925470.db2.gz RYRYIIYDDZEEPD-LBPRGKRZSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001328381741 1053925479 /nfs/dbraw/zinc/92/54/79/1053925479.db2.gz RYRYIIYDDZEEPD-LBPRGKRZSA-N 1 1 319.754 4.136 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000277723663 1053929453 /nfs/dbraw/zinc/92/94/53/1053929453.db2.gz NOLWVFXEDQTUDW-LJQANCHMSA-N 1 1 314.473 4.245 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)cc1F ZINC001328430311 1053930485 /nfs/dbraw/zinc/93/04/85/1053930485.db2.gz YEXICAKRXAMSNY-INIZCTEOSA-N 1 1 316.401 4.105 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1F ZINC001328430311 1053930496 /nfs/dbraw/zinc/93/04/96/1053930496.db2.gz YEXICAKRXAMSNY-INIZCTEOSA-N 1 1 316.401 4.105 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1cc(Cl)cnc1F ZINC001231992854 1053933865 /nfs/dbraw/zinc/93/38/65/1053933865.db2.gz NFPUBEOJDVSANQ-UHFFFAOYSA-N 1 1 304.796 4.452 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cnc1F ZINC001231992854 1053933880 /nfs/dbraw/zinc/93/38/80/1053933880.db2.gz NFPUBEOJDVSANQ-UHFFFAOYSA-N 1 1 304.796 4.452 20 30 DIEDMO CC[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC001232115868 1053964781 /nfs/dbraw/zinc/96/47/81/1053964781.db2.gz CNAQAZWGHUAQGE-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1F ZINC001232115868 1053964790 /nfs/dbraw/zinc/96/47/90/1053964790.db2.gz CNAQAZWGHUAQGE-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc2cc(Br)ccc2n1 ZINC001232105928 1053965914 /nfs/dbraw/zinc/96/59/14/1053965914.db2.gz KRTSBFHQRFEFSP-UHFFFAOYSA-N 1 1 319.246 4.395 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1Cl ZINC001232120493 1053967389 /nfs/dbraw/zinc/96/73/89/1053967389.db2.gz TUJXTLRBLCYPQL-SFHVURJKSA-N 1 1 311.816 4.334 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1Cl ZINC001232120493 1053967401 /nfs/dbraw/zinc/96/74/01/1053967401.db2.gz TUJXTLRBLCYPQL-SFHVURJKSA-N 1 1 311.816 4.334 20 30 DIEDMO CC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(C)cs1 ZINC000184380512 1054005991 /nfs/dbraw/zinc/00/59/91/1054005991.db2.gz BWKHUFCDFVIASL-HNNXBMFYSA-N 1 1 304.846 4.197 20 30 DIEDMO Cc1cccc(F)c1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001232488086 1054057662 /nfs/dbraw/zinc/05/76/62/1054057662.db2.gz ZDUCOUVGOVOPOY-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1cccc(F)c1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001232483192 1054057987 /nfs/dbraw/zinc/05/79/87/1054057987.db2.gz CYAZEIDXNRAJMO-KRWDZBQOSA-N 1 1 324.399 4.049 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cc(C)c(Br)c(C)c1 ZINC001232521729 1054063834 /nfs/dbraw/zinc/06/38/34/1054063834.db2.gz QPZCUNSVQCDNDM-UHFFFAOYSA-N 1 1 309.251 4.192 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cc(C)c(Br)c(C)c1 ZINC001232521729 1054063848 /nfs/dbraw/zinc/06/38/48/1054063848.db2.gz QPZCUNSVQCDNDM-UHFFFAOYSA-N 1 1 309.251 4.192 20 30 DIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(Cl)cc1C#N ZINC001232609721 1054082290 /nfs/dbraw/zinc/08/22/90/1054082290.db2.gz RDFFEIXXNUMJSZ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(Cl)cc1C#N ZINC001232609721 1054082305 /nfs/dbraw/zinc/08/23/05/1054082305.db2.gz RDFFEIXXNUMJSZ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(Cl)cc1C#N ZINC001232609703 1054082348 /nfs/dbraw/zinc/08/23/48/1054082348.db2.gz QJRKQUYGWWEQCI-UHFFFAOYSA-N 1 1 313.832 4.061 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(Cl)cc1C#N ZINC001232609268 1054083390 /nfs/dbraw/zinc/08/33/90/1054083390.db2.gz SLIVSMDTZVCFFX-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C#CC[N@H+](Cc1c(C)cccc1OC)[C@@H]1CCc2ccccc21 ZINC001232624933 1054085006 /nfs/dbraw/zinc/08/50/06/1054085006.db2.gz DVDUFHXARDDLKS-HXUWFJFHSA-N 1 1 305.421 4.126 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001232727458 1054107612 /nfs/dbraw/zinc/10/76/12/1054107612.db2.gz ABMKXVRDLOCCQK-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3ccc(Cl)cc3[nH]1)C2 ZINC001232727458 1054107620 /nfs/dbraw/zinc/10/76/20/1054107620.db2.gz ABMKXVRDLOCCQK-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001232892541 1054140694 /nfs/dbraw/zinc/14/06/94/1054140694.db2.gz OVRAAOPOFMQUTP-LJQANCHMSA-N 1 1 312.363 4.044 20 30 DIEDMO C[N@H+](Cc1cc(F)ccc1C#N)Cc1cccc2ccccc21 ZINC001232891004 1054141329 /nfs/dbraw/zinc/14/13/29/1054141329.db2.gz UNOZUPWDJBQDDY-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C[N@@H+](Cc1cc(F)ccc1C#N)Cc1cccc2ccccc21 ZINC001232891004 1054141338 /nfs/dbraw/zinc/14/13/38/1054141338.db2.gz UNOZUPWDJBQDDY-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001232891947 1054141436 /nfs/dbraw/zinc/14/14/36/1054141436.db2.gz VIVURHXWHLOVDR-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001232891947 1054141442 /nfs/dbraw/zinc/14/14/42/1054141442.db2.gz VIVURHXWHLOVDR-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(F)ccc1C#N ZINC001232891381 1054141726 /nfs/dbraw/zinc/14/17/26/1054141726.db2.gz FOGFKMPQROLTIG-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC001233040710 1054176966 /nfs/dbraw/zinc/17/69/66/1054176966.db2.gz INIIYJKHARMWFG-UHFFFAOYSA-N 1 1 321.346 4.065 20 30 DIEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccc3ccccc3c2)CC1 ZINC001233046727 1054177544 /nfs/dbraw/zinc/17/75/44/1054177544.db2.gz HXYMSMFTZIVBBZ-UHFFFAOYSA-N 1 1 315.420 4.419 20 30 DIEDMO C=CC[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)C1CCCCC1 ZINC001233102831 1054186117 /nfs/dbraw/zinc/18/61/17/1054186117.db2.gz PCAVBHOBGMSOCA-UHFFFAOYSA-N 1 1 315.436 4.084 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001334782930 1054199479 /nfs/dbraw/zinc/19/94/79/1054199479.db2.gz MNXRTNBIMXGYAA-JTTJXQCZSA-N 1 1 318.848 4.043 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC001334782930 1054199483 /nfs/dbraw/zinc/19/94/83/1054199483.db2.gz MNXRTNBIMXGYAA-JTTJXQCZSA-N 1 1 318.848 4.043 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001233242868 1054212213 /nfs/dbraw/zinc/21/22/13/1054212213.db2.gz LGAGRVRGUANWAS-CYBMUJFWSA-N 1 1 315.417 4.075 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001233242868 1054212226 /nfs/dbraw/zinc/21/22/26/1054212226.db2.gz LGAGRVRGUANWAS-CYBMUJFWSA-N 1 1 315.417 4.075 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)c(O)c1 ZINC001233386074 1054254967 /nfs/dbraw/zinc/25/49/67/1054254967.db2.gz FJVMSJMXXAMNOB-QGZVFWFLSA-N 1 1 312.800 4.254 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)c(O)c1 ZINC001233386074 1054254978 /nfs/dbraw/zinc/25/49/78/1054254978.db2.gz FJVMSJMXXAMNOB-QGZVFWFLSA-N 1 1 312.800 4.254 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)c(F)c1 ZINC001341746193 1054409049 /nfs/dbraw/zinc/40/90/49/1054409049.db2.gz PVEUXMOQAMJLME-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO Cc1nc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)ccc1C#N ZINC000487902054 1054413868 /nfs/dbraw/zinc/41/38/68/1054413868.db2.gz ZBHZCCDZMFJLOC-UHFFFAOYSA-N 1 1 317.396 4.081 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001442558892 1054425318 /nfs/dbraw/zinc/42/53/18/1054425318.db2.gz LXCNABLQBDXIPQ-ATEOEAFZSA-N 1 1 320.521 4.380 20 30 DIEDMO Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)c1 ZINC001234177863 1054448731 /nfs/dbraw/zinc/44/87/31/1054448731.db2.gz CBWSOMCZVOGLJK-LJQANCHMSA-N 1 1 319.452 4.499 20 30 DIEDMO Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)c1 ZINC001234177863 1054448738 /nfs/dbraw/zinc/44/87/38/1054448738.db2.gz CBWSOMCZVOGLJK-LJQANCHMSA-N 1 1 319.452 4.499 20 30 DIEDMO CC(C)C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001473276885 1054478355 /nfs/dbraw/zinc/47/83/55/1054478355.db2.gz FBLWAXOZLMLQNN-SFHVURJKSA-N 1 1 300.446 4.085 20 30 DIEDMO Cc1ccccc1N(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001234268684 1054479340 /nfs/dbraw/zinc/47/93/40/1054479340.db2.gz IDAHEJYGVBDQDZ-NRFANRHFSA-N 1 1 319.452 4.499 20 30 DIEDMO Cc1ccccc1N(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001234268684 1054479351 /nfs/dbraw/zinc/47/93/51/1054479351.db2.gz IDAHEJYGVBDQDZ-NRFANRHFSA-N 1 1 319.452 4.499 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3c(F)cccc3F)CC2)cc1 ZINC001473345541 1054584377 /nfs/dbraw/zinc/58/43/77/1054584377.db2.gz VYANPRHYWZPKAH-UHFFFAOYSA-N 1 1 324.374 4.168 20 30 DIEDMO CC(C)c1c(C#N)cccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001234852939 1054603032 /nfs/dbraw/zinc/60/30/32/1054603032.db2.gz AZDRHUOXTIHGHE-IBGZPJMESA-N 1 1 320.436 4.335 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997131 1054642005 /nfs/dbraw/zinc/64/20/05/1054642005.db2.gz TYBHEXKZWRDFFO-INIZCTEOSA-N 1 1 306.409 4.185 20 30 DIEDMO C=CC[N@H+](Cc1ccc(-c2nnc(C)o2)cc1)C1CCCCC1 ZINC001235068867 1054651193 /nfs/dbraw/zinc/65/11/93/1054651193.db2.gz LUJLVHYWUSADMZ-UHFFFAOYSA-N 1 1 311.429 4.366 20 30 DIEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)[C@@H](C)c2ccccc2)CCCC1(C)C ZINC001473432617 1054721421 /nfs/dbraw/zinc/72/14/21/1054721421.db2.gz NVWXIPSPPQZKRH-UHOSZYNNSA-N 1 1 301.474 4.218 20 30 DIEDMO CCCCCCCCCCCC[N@@H+]1CCn2cnc(CO)c2C1 ZINC001235500822 1054734152 /nfs/dbraw/zinc/73/41/52/1054734152.db2.gz BFPRGSIZWJNPBM-UHFFFAOYSA-N 1 1 321.509 4.112 20 30 DIEDMO CCCCCCCCCCCC[N@H+]1CCn2cnc(CO)c2C1 ZINC001235500822 1054734167 /nfs/dbraw/zinc/73/41/67/1054734167.db2.gz BFPRGSIZWJNPBM-UHFFFAOYSA-N 1 1 321.509 4.112 20 30 DIEDMO N#CCc1ccccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001235523738 1054736263 /nfs/dbraw/zinc/73/62/63/1054736263.db2.gz TXNHOKWDNLBWLO-IBGZPJMESA-N 1 1 308.450 4.043 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001235523708 1054737674 /nfs/dbraw/zinc/73/76/74/1054737674.db2.gz TUYPAIJCYLPWQC-KRWDZBQOSA-N 1 1 310.828 4.396 20 30 DIEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001235524213 1054738135 /nfs/dbraw/zinc/73/81/35/1054738135.db2.gz CLLIUFIBVFMUKK-SFHVURJKSA-N 1 1 312.363 4.368 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001235524213 1054738151 /nfs/dbraw/zinc/73/81/51/1054738151.db2.gz CLLIUFIBVFMUKK-SFHVURJKSA-N 1 1 312.363 4.368 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001235525204 1054739136 /nfs/dbraw/zinc/73/91/36/1054739136.db2.gz KPNYHIZXXNKLAP-LJQANCHMSA-N 1 1 312.363 4.368 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(C#N)c2ccccc2n1 ZINC000609891715 1054739918 /nfs/dbraw/zinc/73/99/18/1054739918.db2.gz GULKWJNEEFISFD-INIZCTEOSA-N 1 1 322.456 4.173 20 30 DIEDMO CC(C)C[N@H+](Cc1ccccc1)Cc1c(F)cc(C#N)cc1F ZINC001235649943 1054758770 /nfs/dbraw/zinc/75/87/70/1054758770.db2.gz ADAQUBWEHOWPBK-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1c(F)cc(C#N)cc1F ZINC001235649943 1054758782 /nfs/dbraw/zinc/75/87/82/1054758782.db2.gz ADAQUBWEHOWPBK-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)c(F)c2)C1 ZINC001235774877 1054803166 /nfs/dbraw/zinc/80/31/66/1054803166.db2.gz JJGYQCKYXVNQJI-QGZVFWFLSA-N 1 1 323.411 4.250 20 30 DIEDMO C=CCCC[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC001127735187 1055122014 /nfs/dbraw/zinc/12/20/14/1055122014.db2.gz XWOCHKWZQBOQCH-GOSISDBHSA-N 1 1 323.440 4.226 20 30 DIEDMO C=CCCCC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236670037 1055221217 /nfs/dbraw/zinc/22/12/17/1055221217.db2.gz SKXCTVWAWYHPQZ-UHFFFAOYSA-N 1 1 312.251 4.251 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC001236670037 1055221223 /nfs/dbraw/zinc/22/12/23/1055221223.db2.gz SKXCTVWAWYHPQZ-UHFFFAOYSA-N 1 1 312.251 4.251 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(F)c(O)c1)C1CCCCCCC1 ZINC001236706029 1055237541 /nfs/dbraw/zinc/23/75/41/1055237541.db2.gz REYGHTAAYNRWLE-UHFFFAOYSA-N 1 1 304.409 4.360 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(F)c(O)c1)C1CCCCCCC1 ZINC001236706029 1055237551 /nfs/dbraw/zinc/23/75/51/1055237551.db2.gz REYGHTAAYNRWLE-UHFFFAOYSA-N 1 1 304.409 4.360 20 30 DIEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863990 1055297321 /nfs/dbraw/zinc/29/73/21/1055297321.db2.gz QAWJQWSUYQVXOD-GFCCVEGCSA-N 1 1 307.235 4.085 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001587551612 1055326459 /nfs/dbraw/zinc/32/64/59/1055326459.db2.gz ZGHZVUYNLFHVKG-QZTJIDSGSA-N 1 1 310.526 4.172 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3F)nc2)CC1 ZINC001236991701 1055329788 /nfs/dbraw/zinc/32/97/88/1055329788.db2.gz XSHSLTBEOJEORC-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cncc(-c3ccc(F)cc3)c2)CC1 ZINC001237002603 1055333825 /nfs/dbraw/zinc/33/38/25/1055333825.db2.gz UPVNTBULACOOKW-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237114856 1055376270 /nfs/dbraw/zinc/37/62/70/1055376270.db2.gz NKKOSXNFKIKCQS-UHFFFAOYSA-N 1 1 303.324 4.079 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237294150 1055418902 /nfs/dbraw/zinc/41/89/02/1055418902.db2.gz GRQWTIDDGQEFAD-OAQYLSRUSA-N 1 1 304.437 4.207 20 30 DIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464576 1055455646 /nfs/dbraw/zinc/45/56/46/1055455646.db2.gz FKXOOFGTZWQFRU-HNNXBMFYSA-N 1 1 315.420 4.169 20 30 DIEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c2cc(C#N)ccc21 ZINC001237471796 1055457848 /nfs/dbraw/zinc/45/78/48/1055457848.db2.gz ZQGVQENDGSGREK-QFBILLFUSA-N 1 1 307.441 4.205 20 30 DIEDMO Cn1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237472088 1055459348 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CCc1nc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000611392924 1057595639 /nfs/dbraw/zinc/59/56/39/1057595639.db2.gz VWOYBTUDGCKFBZ-LRDDRELGSA-N 1 1 311.454 4.305 20 30 DIEDMO CCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OCCC ZINC000611433247 1057599173 /nfs/dbraw/zinc/59/91/73/1057599173.db2.gz VXDRUBSGBPSXGT-OAHLLOKOSA-N 1 1 316.445 4.219 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000611442757 1057600591 /nfs/dbraw/zinc/60/05/91/1057600591.db2.gz RHQNFPDVLSUBGO-HNNXBMFYSA-N 1 1 319.330 4.235 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000611465954 1057601312 /nfs/dbraw/zinc/60/13/12/1057601312.db2.gz WQERPSCTWQBLLX-QLJPJBMISA-N 1 1 316.763 4.135 20 30 DIEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1Br)C(C)(C)C ZINC000611500389 1057604105 /nfs/dbraw/zinc/60/41/05/1057604105.db2.gz LBCNKDKIUHHQOG-NSHDSACASA-N 1 1 309.251 4.187 20 30 DIEDMO Cc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)s1 ZINC000751516375 1057706252 /nfs/dbraw/zinc/70/62/52/1057706252.db2.gz AIADXOFJFMFHLA-MDZDMXLPSA-N 1 1 308.406 4.447 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc2ccccc2c1 ZINC000731210514 1057737321 /nfs/dbraw/zinc/73/73/21/1057737321.db2.gz OXASNFXECIUYPH-UHFFFAOYSA-N 1 1 316.404 4.374 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731212115 1057738073 /nfs/dbraw/zinc/73/80/73/1057738073.db2.gz UEENMWFJRDWEII-UHFFFAOYSA-N 1 1 308.425 4.247 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC000731212820 1057738100 /nfs/dbraw/zinc/73/81/00/1057738100.db2.gz UKOSNIFZCIFQSS-FQEVSTJZSA-N 1 1 320.436 4.359 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000731211619 1057738220 /nfs/dbraw/zinc/73/82/20/1057738220.db2.gz QZQFDZDNGKUVOV-HXUWFJFHSA-N 1 1 320.436 4.186 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(Cl)c1 ZINC000731211577 1057738317 /nfs/dbraw/zinc/73/83/17/1057738317.db2.gz PAOJXDGPVDHYDS-UHFFFAOYSA-N 1 1 314.816 4.264 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c1O ZINC000732467414 1057775961 /nfs/dbraw/zinc/77/59/61/1057775961.db2.gz UZAIEDHWWMZGMC-OAHLLOKOSA-N 1 1 323.436 4.249 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(F)nc(F)c2)cc1 ZINC001243973108 1057824999 /nfs/dbraw/zinc/82/49/99/1057824999.db2.gz DKMGGWGQXJEFKX-MRXNPFEDSA-N 1 1 300.352 4.350 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(Cl)c2C#N)nc1 ZINC001244725423 1058035800 /nfs/dbraw/zinc/03/58/00/1058035800.db2.gz UULQGVBSNVMUHX-SFHVURJKSA-N 1 1 311.816 4.430 20 30 DIEDMO Cc1c(C#N)cccc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001244813986 1058051186 /nfs/dbraw/zinc/05/11/86/1058051186.db2.gz JTTOSGKEOGMIKT-OAHLLOKOSA-N 1 1 305.425 4.303 20 30 DIEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCCC1 ZINC001556397224 1058586829 /nfs/dbraw/zinc/58/68/29/1058586829.db2.gz LIQPABPHXGLSFC-GOSISDBHSA-N 1 1 318.505 4.036 20 30 DIEDMO CCCCCCCCCC[C@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246022727 1058656833 /nfs/dbraw/zinc/65/68/33/1058656833.db2.gz BAXVCYFNQYZCRM-IBGZPJMESA-N 1 1 324.553 4.096 20 30 DIEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001278434997 1058732383 /nfs/dbraw/zinc/73/23/83/1058732383.db2.gz AMBFLHGBYAUKAO-CALCHBBNSA-N 1 1 321.534 4.071 20 30 DIEDMO CCCCCCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001521038255 1058734997 /nfs/dbraw/zinc/73/49/97/1058734997.db2.gz LIECDVGYODJALJ-ZWKOTPCHSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCC[C@H]1C[C@H](N[C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302248 1058810540 /nfs/dbraw/zinc/81/05/40/1058810540.db2.gz XGUMRXVUFVODIJ-XUVXKRRUSA-N 1 1 313.489 4.156 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001558349533 1058861736 /nfs/dbraw/zinc/86/17/36/1058861736.db2.gz SBNYAOHSFJCIFT-CEXWTWQISA-N 1 1 322.537 4.458 20 30 DIEDMO C=C[C@@H]([NH2+][C@H]1CCN[C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485906 1058962719 /nfs/dbraw/zinc/96/27/19/1058962719.db2.gz BSUZRYPUCNPNIJ-CEWLAPEOSA-N 1 1 324.443 4.444 20 30 DIEDMO Cc1ccc2ncc(C#N)c(OCc3c(C)cc(C)[nH+]c3C)c2c1 ZINC001559417424 1059218000 /nfs/dbraw/zinc/21/80/00/1059218000.db2.gz SCMOUPHKLPBSLS-UHFFFAOYSA-N 1 1 317.392 4.314 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1C#N ZINC001559487912 1059260206 /nfs/dbraw/zinc/26/02/06/1059260206.db2.gz RKBJLMRZGYZDKE-UHFFFAOYSA-N 1 1 312.363 4.310 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1C#N ZINC001559487912 1059260228 /nfs/dbraw/zinc/26/02/28/1059260228.db2.gz RKBJLMRZGYZDKE-UHFFFAOYSA-N 1 1 312.363 4.310 20 30 DIEDMO C=CCOCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC001559490051 1059266281 /nfs/dbraw/zinc/26/62/81/1059266281.db2.gz NTLISDQQPCYISH-UHFFFAOYSA-N 1 1 302.245 4.406 20 30 DIEDMO C=CC[N@H+](CCCOCc1ccccc1)Cc1ccccc1F ZINC001559495694 1059273483 /nfs/dbraw/zinc/27/34/83/1059273483.db2.gz PBADUNBAOYPNOV-UHFFFAOYSA-N 1 1 313.416 4.421 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001559494235 1059274727 /nfs/dbraw/zinc/27/47/27/1059274727.db2.gz ZVGYKVNSQGLSPR-FAFZWHIHSA-N 1 1 300.421 4.163 20 30 DIEDMO COc1cccc(C[N@H+](Cc2ccc(CC#N)cc2)CC(C)C)c1 ZINC001559501104 1059282924 /nfs/dbraw/zinc/28/29/24/1059282924.db2.gz CFJJXWBXSOHYHM-UHFFFAOYSA-N 1 1 322.452 4.419 20 30 DIEDMO C#CC[N@H+](CCOc1ccc(F)cc1Cl)C1CCCCC1 ZINC001559514266 1059312315 /nfs/dbraw/zinc/31/23/15/1059312315.db2.gz XIFSUYLLZSAIRX-UHFFFAOYSA-N 1 1 309.812 4.126 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1-c1ccccc1 ZINC001559513999 1059312780 /nfs/dbraw/zinc/31/27/80/1059312780.db2.gz NZDNFUAJIMUUAE-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C=CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)CC1CCCCC1 ZINC001559538001 1059341593 /nfs/dbraw/zinc/34/15/93/1059341593.db2.gz LVSJJTNFSAGHMK-UHFFFAOYSA-N 1 1 320.521 4.234 20 30 DIEDMO CC[C@@H](OCC[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC001559553261 1059363791 /nfs/dbraw/zinc/36/37/91/1059363791.db2.gz AGOXAQYCKFXDLM-GOSISDBHSA-N 1 1 302.462 4.416 20 30 DIEDMO CC[C@@H](OCC[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC001559553261 1059363817 /nfs/dbraw/zinc/36/38/17/1059363817.db2.gz AGOXAQYCKFXDLM-GOSISDBHSA-N 1 1 302.462 4.416 20 30 DIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001559551904 1059365618 /nfs/dbraw/zinc/36/56/18/1059365618.db2.gz PXBLIPHHYMMHMS-SFHVURJKSA-N 1 1 300.446 4.228 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001559554060 1059369105 /nfs/dbraw/zinc/36/91/05/1059369105.db2.gz RUVBFHMGYCPUAC-UHFFFAOYSA-N 1 1 309.837 4.305 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555141 1059370179 /nfs/dbraw/zinc/37/01/79/1059370179.db2.gz SEGAOAUMEHTMHC-YLJYHZDGSA-N 1 1 304.437 4.439 20 30 DIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC001559566878 1059390865 /nfs/dbraw/zinc/39/08/65/1059390865.db2.gz QANXWSYQAFMCES-UHFFFAOYSA-N 1 1 306.453 4.319 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566769 1059391165 /nfs/dbraw/zinc/39/11/65/1059391165.db2.gz NFRHULACKOQOOM-QRWLVFNGSA-N 1 1 311.375 4.399 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC001559568977 1059399191 /nfs/dbraw/zinc/39/91/91/1059399191.db2.gz LIYOJHYLXNIGQD-FQEVSTJZSA-N 1 1 322.452 4.328 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568411 1059399882 /nfs/dbraw/zinc/39/98/82/1059399882.db2.gz WATKBMRIUSRQJG-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568411 1059399903 /nfs/dbraw/zinc/39/99/03/1059399903.db2.gz WATKBMRIUSRQJG-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC001559570707 1059401248 /nfs/dbraw/zinc/40/12/48/1059401248.db2.gz ZVDAUXJTEHAFBJ-KSSFIOAISA-N 1 1 324.424 4.442 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574446 1059404046 /nfs/dbraw/zinc/40/40/46/1059404046.db2.gz ZQOFRWVJPLRMFN-ACJLOTCBSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574446 1059404050 /nfs/dbraw/zinc/40/40/50/1059404050.db2.gz ZQOFRWVJPLRMFN-ACJLOTCBSA-N 1 1 312.363 4.420 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC001559635045 1059461663 /nfs/dbraw/zinc/46/16/63/1059461663.db2.gz IUEXRXLHRBSFHL-KRWDZBQOSA-N 1 1 309.400 4.037 20 30 DIEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650509 1059480097 /nfs/dbraw/zinc/48/00/97/1059480097.db2.gz GYGOEXUTZMTSKN-MRXNPFEDSA-N 1 1 301.390 4.011 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC001559658182 1059490019 /nfs/dbraw/zinc/49/00/19/1059490019.db2.gz CGHMOYVAINMQGV-GJZGRUSLSA-N 1 1 308.400 4.400 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)c1 ZINC001559661870 1059494290 /nfs/dbraw/zinc/49/42/90/1059494290.db2.gz IQDWFSYQGKBJCR-IBGZPJMESA-N 1 1 319.452 4.188 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc([C@H]([NH3+])CC)n2)cc1 ZINC001247490150 1059502964 /nfs/dbraw/zinc/50/29/64/1059502964.db2.gz BWMJNAPSENJYPJ-MRXNPFEDSA-N 1 1 317.433 4.496 20 30 DIEDMO C#CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC001559688073 1059517936 /nfs/dbraw/zinc/51/79/36/1059517936.db2.gz GFFJTVCXCRBSJA-FUHWJXTLSA-N 1 1 315.457 4.108 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001559690607 1059519083 /nfs/dbraw/zinc/51/90/83/1059519083.db2.gz QHMYAGDXYJODLX-LJQANCHMSA-N 1 1 307.453 4.470 20 30 DIEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC001559707182 1059534253 /nfs/dbraw/zinc/53/42/53/1059534253.db2.gz KMESFHBWJWZBQL-SECBINFHSA-N 1 1 324.186 4.250 20 30 DIEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247609417 1059570921 /nfs/dbraw/zinc/57/09/21/1059570921.db2.gz HZOKESWORHGWTN-GOSISDBHSA-N 1 1 313.360 4.066 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001247623077 1059572856 /nfs/dbraw/zinc/57/28/56/1059572856.db2.gz WYGJGORXTYVEOT-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(Cl)cc2Cl)no1 ZINC001247622979 1059573075 /nfs/dbraw/zinc/57/30/75/1059573075.db2.gz TZNHIFRYFMFTMD-NSHDSACASA-N 1 1 316.163 4.149 20 30 DIEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccccc2-c2ccc(C)cc2)no1 ZINC001247620947 1059573544 /nfs/dbraw/zinc/57/35/44/1059573544.db2.gz BOUDEQRCYPTBPT-FOIQADDNSA-N 1 1 317.392 4.072 20 30 DIEDMO N#CCC1(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001559743804 1059577921 /nfs/dbraw/zinc/57/79/21/1059577921.db2.gz UXJXJDYEEMEXMH-AWEZNQCLSA-N 1 1 308.347 4.189 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC001247639170 1059581011 /nfs/dbraw/zinc/58/10/11/1059581011.db2.gz FXWUWIRLRJIHPH-INIZCTEOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2F)no1 ZINC001247640148 1059581040 /nfs/dbraw/zinc/58/10/40/1059581040.db2.gz XBWNODBSCMHTGF-ZDUSSCGKSA-N 1 1 307.344 4.151 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001247638477 1059581471 /nfs/dbraw/zinc/58/14/71/1059581471.db2.gz AAIDXNIVAAKLCB-AWEZNQCLSA-N 1 1 321.371 4.460 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001247639600 1059583196 /nfs/dbraw/zinc/58/31/96/1059583196.db2.gz LEBQRZLWTAFMAN-AWEZNQCLSA-N 1 1 321.371 4.460 20 30 DIEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@]1(c2ccccc2)CCCCC1=O ZINC001559756157 1059591479 /nfs/dbraw/zinc/59/14/79/1059591479.db2.gz RTPPIRATGDYGGD-NGICGMGXSA-N 1 1 324.468 4.287 20 30 DIEDMO C#CCCCCCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC001559759691 1059594799 /nfs/dbraw/zinc/59/47/99/1059594799.db2.gz AJVQGRHHJBPRCD-IBGZPJMESA-N 1 1 323.484 4.332 20 30 DIEDMO Cc1ccccc1[C@]1(F)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC001559787672 1059620740 /nfs/dbraw/zinc/62/07/40/1059620740.db2.gz XQICIPUGFYHDIS-UZLBHIALSA-N 1 1 308.400 4.498 20 30 DIEDMO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC001559787670 1059621363 /nfs/dbraw/zinc/62/13/63/1059621363.db2.gz XQICIPUGFYHDIS-OXJNMPFZSA-N 1 1 308.400 4.498 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796952 1059631767 /nfs/dbraw/zinc/63/17/67/1059631767.db2.gz BTKMXCCVMGEQPF-IRXDYDNUSA-N 1 1 309.400 4.065 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796984 1059632829 /nfs/dbraw/zinc/63/28/29/1059632829.db2.gz CODPXQCKAPAPAH-QGZVFWFLSA-N 1 1 318.417 4.170 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001559796129 1059633081 /nfs/dbraw/zinc/63/30/81/1059633081.db2.gz ZJHHQSPUIPUJFM-QGZVFWFLSA-N 1 1 317.539 4.026 20 30 DIEDMO C=C(C)C[N@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC001559807718 1059643219 /nfs/dbraw/zinc/64/32/19/1059643219.db2.gz NORWMFUNMROVIM-UHFFFAOYSA-N 1 1 305.425 4.221 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cn2c(cccc2C)n1)Cc1ccccc1 ZINC001559807718 1059643233 /nfs/dbraw/zinc/64/32/33/1059643233.db2.gz NORWMFUNMROVIM-UHFFFAOYSA-N 1 1 305.425 4.221 20 30 DIEDMO CCC1CCC([N@@H+](CCO)CCCCC2(C#N)CCC2)CC1 ZINC001559808828 1059643328 /nfs/dbraw/zinc/64/33/28/1059643328.db2.gz BDSMKAGROYTWDK-UHFFFAOYSA-N 1 1 306.494 4.114 20 30 DIEDMO CCCCCCCC[N@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC001559815414 1059653165 /nfs/dbraw/zinc/65/31/65/1059653165.db2.gz DYJFYJHRKRKLFT-KRWDZBQOSA-N 1 1 312.498 4.336 20 30 DIEDMO CCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC001559831194 1059665019 /nfs/dbraw/zinc/66/50/19/1059665019.db2.gz NNMCEMIZEGYYAQ-VAMGGRTRSA-N 1 1 301.474 4.461 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCC[C@H](C)C1 ZINC001559870598 1059688153 /nfs/dbraw/zinc/68/81/53/1059688153.db2.gz BOSJXBUOJIEMPD-RCCFBDPRSA-N 1 1 306.494 4.112 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873406 1059691603 /nfs/dbraw/zinc/69/16/03/1059691603.db2.gz QLMVUWRPTJXXMN-RTBURBONSA-N 1 1 307.453 4.147 20 30 DIEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001559898440 1059712400 /nfs/dbraw/zinc/71/24/00/1059712400.db2.gz XWNLOLCAJOGTFN-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001559898441 1059715288 /nfs/dbraw/zinc/71/52/88/1059715288.db2.gz XWNLOLCAJOGTFN-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1Br 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CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001248751872 1059964093 /nfs/dbraw/zinc/96/40/93/1059964093.db2.gz NLXJFFVDDQDVOO-LJQANCHMSA-N 1 1 308.400 4.249 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)cc1F ZINC001248752217 1059966146 /nfs/dbraw/zinc/96/61/46/1059966146.db2.gz CBTKGFNGDCEOCZ-UHFFFAOYSA-N 1 1 300.352 4.031 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)cc1F ZINC001248752217 1059966171 /nfs/dbraw/zinc/96/61/71/1059966171.db2.gz CBTKGFNGDCEOCZ-UHFFFAOYSA-N 1 1 300.352 4.031 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001248751250 1059966572 /nfs/dbraw/zinc/96/65/72/1059966572.db2.gz PJHMWMSVPLCPNC-LJQANCHMSA-N 1 1 304.437 4.185 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cc(Br)ccc1OC ZINC001560204791 1059984554 /nfs/dbraw/zinc/98/45/54/1059984554.db2.gz ZYHPVEBGHCYUGA-UHFFFAOYSA-N 1 1 312.251 4.246 20 30 DIEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182003 1059971040 /nfs/dbraw/zinc/97/10/40/1059971040.db2.gz 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/nfs/dbraw/zinc/96/59/64/1060965964.db2.gz MBSCADSXRKRRPZ-KRWDZBQOSA-N 1 1 322.452 4.247 20 30 DIEDMO C=CCOc1c(Cl)cc(C[NH+]2CC(C(C)C)C2)cc1OC ZINC001462159261 1060982680 /nfs/dbraw/zinc/98/26/80/1060982680.db2.gz VCVSPZAGMZWVGW-UHFFFAOYSA-N 1 1 309.837 4.001 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001473216730 1060989404 /nfs/dbraw/zinc/98/94/04/1060989404.db2.gz YWNRMEQAFJPKBF-APWZRJJASA-N 1 1 320.436 4.020 20 30 DIEDMO CCC#C[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234996 1061012218 /nfs/dbraw/zinc/01/22/18/1061012218.db2.gz ZXDDPASZKAQRHG-HOCLYGCPSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234996 1061012235 /nfs/dbraw/zinc/01/22/35/1061012235.db2.gz ZXDDPASZKAQRHG-HOCLYGCPSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001473237801 1061016189 /nfs/dbraw/zinc/01/61/89/1061016189.db2.gz NLONCNYEIUEPQE-DLBZAZTESA-N 1 1 320.864 4.237 20 30 DIEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC001473237803 1061016707 /nfs/dbraw/zinc/01/67/07/1061016707.db2.gz NLONCNYEIUEPQE-IRXDYDNUSA-N 1 1 320.864 4.237 20 30 DIEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260051 1061032937 /nfs/dbraw/zinc/03/29/37/1061032937.db2.gz PRPYIWGAZUACPU-RTBURBONSA-N 1 1 317.448 4.093 20 30 DIEDMO C#C[C@H]([NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1F ZINC001462224276 1061039460 /nfs/dbraw/zinc/03/94/60/1061039460.db2.gz JJENTYMMDMUDJI-BBWFWOEESA-N 1 1 323.839 4.335 20 30 DIEDMO C=CCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473271425 1061042483 /nfs/dbraw/zinc/04/24/83/1061042483.db2.gz APCADHRAHUHUIM-CYBMUJFWSA-N 1 1 300.229 4.413 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286780 1061057566 /nfs/dbraw/zinc/05/75/66/1061057566.db2.gz HMJSOGZDSWTAKC-CHWSQXEVSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286780 1061057583 /nfs/dbraw/zinc/05/75/83/1061057583.db2.gz HMJSOGZDSWTAKC-CHWSQXEVSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287610 1061057779 /nfs/dbraw/zinc/05/77/79/1061057779.db2.gz NQCUAGPBGNVNHE-STQMWFEESA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287610 1061057787 /nfs/dbraw/zinc/05/77/87/1061057787.db2.gz NQCUAGPBGNVNHE-STQMWFEESA-N 1 1 312.363 4.344 20 30 DIEDMO N#CCC1(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)CC1 ZINC001473290204 1061063400 /nfs/dbraw/zinc/06/34/00/1061063400.db2.gz XIFCADPLZGYWAR-FQEVSTJZSA-N 1 1 302.421 4.480 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)CCc1c(F)cccc1Cl ZINC001473317694 1061083833 /nfs/dbraw/zinc/08/38/33/1061083833.db2.gz BVPVOICIGAPJKY-UHFFFAOYSA-N 1 1 307.796 4.345 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H](COCc1ccccc1)c1ccccc1 ZINC001473323637 1061085195 /nfs/dbraw/zinc/08/51/95/1061085195.db2.gz JAHRMIIJMJAMJE-SFHVURJKSA-N 1 1 301.817 4.287 20 30 DIEDMO C=CCC[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473328009 1061090570 /nfs/dbraw/zinc/09/05/70/1061090570.db2.gz SNGUEFTVKZSCRK-WSTZPKSXSA-N 1 1 300.490 4.261 20 30 DIEDMO C=CCC[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473328009 1061090575 /nfs/dbraw/zinc/09/05/75/1061090575.db2.gz SNGUEFTVKZSCRK-WSTZPKSXSA-N 1 1 300.490 4.261 20 30 DIEDMO C=CCC[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001473327739 1061090810 /nfs/dbraw/zinc/09/08/10/1061090810.db2.gz SNGUEFTVKZSCRK-GGPKGHCWSA-N 1 1 300.490 4.261 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001473330281 1061091682 /nfs/dbraw/zinc/09/16/82/1061091682.db2.gz ZFUONJNXGLJMKO-GOSISDBHSA-N 1 1 324.472 4.398 20 30 DIEDMO CCC1(CC)C[N@@H+](Cc2c(C)cc(C#N)cc2C)CCS1 ZINC001473360374 1061112021 /nfs/dbraw/zinc/11/20/21/1061112021.db2.gz LHRYDSCYRFQCLR-UHFFFAOYSA-N 1 1 302.487 4.283 20 30 DIEDMO N#Cc1cnccc1C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC001473369260 1061116516 /nfs/dbraw/zinc/11/65/16/1061116516.db2.gz XPJAJRFAEIILGI-GOSISDBHSA-N 1 1 319.433 4.088 20 30 DIEDMO C=CCC[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC001473388795 1061130107 /nfs/dbraw/zinc/13/01/07/1061130107.db2.gz GLBOZQPTEAXZBB-UHFFFAOYSA-N 1 1 306.862 4.488 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001462365411 1061130779 /nfs/dbraw/zinc/13/07/79/1061130779.db2.gz SGSZMATWVSWADB-HNNXBMFYSA-N 1 1 306.409 4.076 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)C1 ZINC001462381848 1061140099 /nfs/dbraw/zinc/14/00/99/1061140099.db2.gz BDUXRAIROGKPEN-QGZVFWFLSA-N 1 1 323.411 4.250 20 30 DIEDMO CC(C)(C)c1ccc(CC[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC001462387524 1061144648 /nfs/dbraw/zinc/14/46/48/1061144648.db2.gz ZQEMKRKRPXDTJZ-UHFFFAOYSA-N 1 1 304.437 4.414 20 30 DIEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001473434682 1061158463 /nfs/dbraw/zinc/15/84/63/1061158463.db2.gz HQYXIJJMRNZWLB-CALCHBBNSA-N 1 1 324.509 4.146 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2sccc2NC(=O)OC(C)(C)C)C1 ZINC001462463440 1061187590 /nfs/dbraw/zinc/18/75/90/1061187590.db2.gz VGMQAMURJSXUQH-CYBMUJFWSA-N 1 1 322.474 4.493 20 30 DIEDMO C=C(Cl)C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC001473488620 1061188255 /nfs/dbraw/zinc/18/82/55/1061188255.db2.gz QIAKFTVTNZKUJP-UHFFFAOYSA-N 1 1 302.220 4.439 20 30 DIEDMO C=C(C)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC001473498254 1061194588 /nfs/dbraw/zinc/19/45/88/1061194588.db2.gz MZWNJHLRUZDPMN-CJNGLKHVSA-N 1 1 313.363 4.433 20 30 DIEDMO CCC[N@H+](CCN1CCCCCC1)[C@@H](C)c1cccc(C#N)c1 ZINC001473515695 1061206947 /nfs/dbraw/zinc/20/69/47/1061206947.db2.gz SLIOFRWOLGVXQR-SFHVURJKSA-N 1 1 313.489 4.207 20 30 DIEDMO CCC[N@@H+](CCN1CCCCCC1)[C@@H](C)c1cccc(C#N)c1 ZINC001473515695 1061206970 /nfs/dbraw/zinc/20/69/70/1061206970.db2.gz SLIOFRWOLGVXQR-SFHVURJKSA-N 1 1 313.489 4.207 20 30 DIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC001473518464 1061213844 /nfs/dbraw/zinc/21/38/44/1061213844.db2.gz CNIVHPBWWQOOBF-RDJZCZTQSA-N 1 1 300.446 4.084 20 30 DIEDMO C=CCCCC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001473522618 1061219087 /nfs/dbraw/zinc/21/90/87/1061219087.db2.gz ARKTYQFNPPELKN-AWEZNQCLSA-N 1 1 310.844 4.346 20 30 DIEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542525 1061236291 /nfs/dbraw/zinc/23/62/91/1061236291.db2.gz VECNYJKCQQUDBA-ZWKOTPCHSA-N 1 1 314.473 4.128 20 30 DIEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1(C)C ZINC001473542522 1061236780 /nfs/dbraw/zinc/23/67/80/1061236780.db2.gz VECNYJKCQQUDBA-MSOLQXFVSA-N 1 1 314.473 4.128 20 30 DIEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC001473561591 1061249228 /nfs/dbraw/zinc/24/92/28/1061249228.db2.gz PSJCQIVZSKCXCS-LJQANCHMSA-N 1 1 308.400 4.465 20 30 DIEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473578999 1061268376 /nfs/dbraw/zinc/26/83/76/1061268376.db2.gz WCHWYRYNOLUFRK-DLBZAZTESA-N 1 1 300.421 4.346 20 30 DIEDMO CC(C)(Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(Cl)cc1O ZINC001462593025 1061285558 /nfs/dbraw/zinc/28/55/58/1061285558.db2.gz PLLQTKWIACPLPE-UHFFFAOYSA-N 1 1 314.816 4.028 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001473627012 1061300457 /nfs/dbraw/zinc/30/04/57/1061300457.db2.gz CLCYXQCSUAHCCY-PELRDEGISA-N 1 1 313.485 4.363 20 30 DIEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001473627590 1061300490 /nfs/dbraw/zinc/30/04/90/1061300490.db2.gz YIVPDRAFEZVPCU-INIZCTEOSA-N 1 1 311.347 4.006 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001473635209 1061307472 /nfs/dbraw/zinc/30/74/72/1061307472.db2.gz HUQRQCYOCGARSI-MRXNPFEDSA-N 1 1 304.437 4.455 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC001473652864 1061316070 /nfs/dbraw/zinc/31/60/70/1061316070.db2.gz ZIUJCZMHOFBSAM-IAGOWNOFSA-N 1 1 324.509 4.358 20 30 DIEDMO C=CCOCC[N@H+](CC)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001473663533 1061324078 /nfs/dbraw/zinc/32/40/78/1061324078.db2.gz JGALCQMMHIJIRB-CQSZACIVSA-N 1 1 315.379 4.161 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC001473661695 1061325314 /nfs/dbraw/zinc/32/53/14/1061325314.db2.gz AIMQXWUEQARASA-LJQANCHMSA-N 1 1 312.457 4.372 20 30 DIEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)CCCC(CC)CC)cc1 ZINC001473680553 1061341299 /nfs/dbraw/zinc/34/12/99/1061341299.db2.gz YCKPXDDDNKCQSO-UHFFFAOYSA-N 1 1 314.473 4.145 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)ccc1F ZINC001473730412 1061374379 /nfs/dbraw/zinc/37/43/79/1061374379.db2.gz SCXVGWVJYXKVJX-LJQANCHMSA-N 1 1 312.363 4.158 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)ccc1F ZINC001473730412 1061374399 /nfs/dbraw/zinc/37/43/99/1061374399.db2.gz SCXVGWVJYXKVJX-LJQANCHMSA-N 1 1 312.363 4.158 20 30 DIEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC001473727356 1061377642 /nfs/dbraw/zinc/37/76/42/1061377642.db2.gz FNQVFUYDMYUXKJ-LJQANCHMSA-N 1 1 317.860 4.115 20 30 DIEDMO Cc1cncc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)c1 ZINC001473734025 1061380270 /nfs/dbraw/zinc/38/02/70/1061380270.db2.gz MCKNDUTVZMEFLM-IBGZPJMESA-N 1 1 310.828 4.232 20 30 DIEDMO C[C@@]1(Cc2cccc(Br)c2)CCC[N@H+]1CCCC#N ZINC001473807729 1061416452 /nfs/dbraw/zinc/41/64/52/1061416452.db2.gz YATWSRMKSYWXBA-INIZCTEOSA-N 1 1 321.262 4.150 20 30 DIEDMO C#CCCCCCCN1CCC(CC)([NH+]2CCCCC2)CC1 ZINC001473756726 1061397180 /nfs/dbraw/zinc/39/71/80/1061397180.db2.gz IGFSFUWMSQYFKT-UHFFFAOYSA-N 1 1 304.522 4.301 20 30 DIEDMO C=CCCCCC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC001473787196 1061409330 /nfs/dbraw/zinc/40/93/30/1061409330.db2.gz CJUWGXYGYFXABA-UHFFFAOYSA-N 1 1 315.457 4.177 20 30 DIEDMO C=CC[C@@H](C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797976 1061410833 /nfs/dbraw/zinc/41/08/33/1061410833.db2.gz STXJYUFHFAYLLB-APWZRJJASA-N 1 1 322.493 4.064 20 30 DIEDMO C[C@]1(Cc2cccc(Br)c2)CCC[N@H+]1CCCC#N ZINC001473807730 1061417612 /nfs/dbraw/zinc/41/76/12/1061417612.db2.gz YATWSRMKSYWXBA-MRXNPFEDSA-N 1 1 321.262 4.150 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@H]([C@]2(C)COC(=O)N2)C1 ZINC001473805982 1061417921 /nfs/dbraw/zinc/41/79/21/1061417921.db2.gz KQVGJBDHQKPOLD-HKUYNNGSSA-N 1 1 324.509 4.338 20 30 DIEDMO C[N@@H+](CCSc1ccc(F)cc1F)Cc1cc(C#N)cs1 ZINC001473836937 1061428707 /nfs/dbraw/zinc/42/87/07/1061428707.db2.gz JIQLULSZAMMSOF-UHFFFAOYSA-N 1 1 324.421 4.122 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001473845248 1061431604 /nfs/dbraw/zinc/43/16/04/1061431604.db2.gz HCAGSDWTAAXKPP-IBGZPJMESA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@]12C[N@@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001473842883 1061432648 /nfs/dbraw/zinc/43/26/48/1061432648.db2.gz FXWFSRXWWVXTAU-CIRFHOKZSA-N 1 1 300.833 4.080 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473857558 1061436194 /nfs/dbraw/zinc/43/61/94/1061436194.db2.gz WKCNFJNBALMDBR-OAHLLOKOSA-N 1 1 306.356 4.090 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC001473857605 1061436407 /nfs/dbraw/zinc/43/64/07/1061436407.db2.gz XWNGXGVNYGSHDN-AWEZNQCLSA-N 1 1 309.251 4.083 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC001473861714 1061436620 /nfs/dbraw/zinc/43/66/20/1061436620.db2.gz ITFPZAIGMVCNFW-UHFFFAOYSA-N 1 1 314.473 4.101 20 30 DIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861535 1061437146 /nfs/dbraw/zinc/43/71/46/1061437146.db2.gz AXMVMUVTYLUEDL-GFCCVEGCSA-N 1 1 312.816 4.094 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001473865157 1061440119 /nfs/dbraw/zinc/44/01/19/1061440119.db2.gz LXHFJHTZGXIIQO-IBGZPJMESA-N 1 1 306.409 4.089 20 30 DIEDMO CCCCCCCC[N@@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001473867753 1061441375 /nfs/dbraw/zinc/44/13/75/1061441375.db2.gz WKGUQFWKLHJVQO-UHFFFAOYSA-N 1 1 317.399 4.330 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C3CCCC3)C2)c1 ZINC001473886991 1061450243 /nfs/dbraw/zinc/45/02/43/1061450243.db2.gz LNOLNPCMTWUYBL-IBGZPJMESA-N 1 1 312.457 4.229 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001252121084 1061581677 /nfs/dbraw/zinc/58/16/77/1061581677.db2.gz CCRBJZVKIQCHBT-MOPGFXCFSA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001252124836 1061581983 /nfs/dbraw/zinc/58/19/83/1061581983.db2.gz TVVGTMOLCBPCMP-FQEVSTJZSA-N 1 1 314.473 4.028 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001252124837 1061583351 /nfs/dbraw/zinc/58/33/51/1061583351.db2.gz TVVGTMOLCBPCMP-HXUWFJFHSA-N 1 1 314.473 4.028 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001252130142 1061584405 /nfs/dbraw/zinc/58/44/05/1061584405.db2.gz LVEXHXAOYCGTPT-INIZCTEOSA-N 1 1 318.461 4.371 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1nccs1 ZINC001252130686 1061587296 /nfs/dbraw/zinc/58/72/96/1061587296.db2.gz WQDVUHHAHGHGDM-HOTGVXAUSA-N 1 1 310.507 4.392 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252130481 1061587351 /nfs/dbraw/zinc/58/73/51/1061587351.db2.gz RKNBPAKBVXFKJE-OALUTQOASA-N 1 1 318.505 4.373 20 30 DIEDMO CCCOc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC001474044095 1061592453 /nfs/dbraw/zinc/59/24/53/1061592453.db2.gz RVQCRHSYFXOYON-UHFFFAOYSA-N 1 1 300.427 4.007 20 30 DIEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H](C(C)=O)c1ccccc1 ZINC001252135362 1061595302 /nfs/dbraw/zinc/59/53/02/1061595302.db2.gz CNFNJGAAFCBCIO-RTBURBONSA-N 1 1 305.462 4.018 20 30 DIEDMO C=C[C@@](C)(O)C[N@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F ZINC001252556261 1061664600 /nfs/dbraw/zinc/66/46/00/1061664600.db2.gz FOPSANGUGFLLIA-JKSUJKDBSA-N 1 1 313.363 4.169 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602887 1061673987 /nfs/dbraw/zinc/67/39/87/1061673987.db2.gz HEPLJZLAAGYOAD-KBPBESRZSA-N 1 1 314.256 4.110 20 30 DIEDMO CCCCOc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC001474211939 1061769399 /nfs/dbraw/zinc/76/93/99/1061769399.db2.gz DUFXUVSESFLOII-UHFFFAOYSA-N 1 1 300.446 4.429 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001252982344 1061772791 /nfs/dbraw/zinc/77/27/91/1061772791.db2.gz CACDZZTUFITLTQ-FQEVSTJZSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[NH2+]Cc1nc(CC)co1 ZINC001252980532 1061773431 /nfs/dbraw/zinc/77/34/31/1061773431.db2.gz VEYHCQJZVKWDDQ-KRWDZBQOSA-N 1 1 310.482 4.218 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+](CC)C1CCOCC1 ZINC001252983833 1061775168 /nfs/dbraw/zinc/77/51/68/1061775168.db2.gz ALBROYBGQPTSSA-IBGZPJMESA-N 1 1 313.526 4.379 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001252986943 1061775641 /nfs/dbraw/zinc/77/56/41/1061775641.db2.gz YNOQXEOVIQRMGK-MOPGFXCFSA-N 1 1 311.510 4.133 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC001474244697 1061807738 /nfs/dbraw/zinc/80/77/38/1061807738.db2.gz BQRPFUIQAUKTIB-UXHICEINSA-N 1 1 308.400 4.290 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1F ZINC001474244699 1061808031 /nfs/dbraw/zinc/80/80/31/1061808031.db2.gz BQRPFUIQAUKTIB-VQTJNVASSA-N 1 1 308.400 4.290 20 30 DIEDMO C=CC(C)(C)C(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC001465781814 1061810907 /nfs/dbraw/zinc/81/09/07/1061810907.db2.gz GWTWTECQRRGQHI-UHFFFAOYSA-N 1 1 316.489 4.137 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001465826332 1061819757 /nfs/dbraw/zinc/81/97/57/1061819757.db2.gz SSFVNRDKCCJPES-QGZVFWFLSA-N 1 1 319.493 4.011 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001253227489 1061834400 /nfs/dbraw/zinc/83/44/00/1061834400.db2.gz JOOOSVAXQCFJMA-RBUKOAKNSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccccc1OC ZINC001253238277 1061836297 /nfs/dbraw/zinc/83/62/97/1061836297.db2.gz BTKLVXDDEKQKTR-SFHVURJKSA-N 1 1 305.462 4.015 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001253233875 1061838348 /nfs/dbraw/zinc/83/83/48/1061838348.db2.gz PJHDXYZKWZDAEL-HZPDHXFCSA-N 1 1 303.437 4.241 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC001253234890 1061839140 /nfs/dbraw/zinc/83/91/40/1061839140.db2.gz GQFBQOAWRXGQKN-GOSISDBHSA-N 1 1 305.462 4.015 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CCC(=O)c1cccs1 ZINC001253241690 1061840523 /nfs/dbraw/zinc/84/05/23/1061840523.db2.gz ZQBSWHPTYIFHJP-INIZCTEOSA-N 1 1 323.502 4.140 20 30 DIEDMO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2c2cccc(C)c2C)nn1 ZINC001474313855 1061887705 /nfs/dbraw/zinc/88/77/05/1061887705.db2.gz GEMDZYJTMNFQCD-HXUWFJFHSA-N 1 1 324.472 4.198 20 30 DIEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(C)c2C)nn1 ZINC001474313855 1061887727 /nfs/dbraw/zinc/88/77/27/1061887727.db2.gz GEMDZYJTMNFQCD-HXUWFJFHSA-N 1 1 324.472 4.198 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1OC ZINC001474333187 1061922254 /nfs/dbraw/zinc/92/22/54/1061922254.db2.gz WBDFUGAXXGCCRD-QWHCGFSZSA-N 1 1 309.837 4.144 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001253562453 1061928989 /nfs/dbraw/zinc/92/89/89/1061928989.db2.gz CNOCPFVBXXDEQY-SFHVURJKSA-N 1 1 321.509 4.238 20 30 DIEDMO C=C[C@H](O)C[N@H+]1CCCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001253578391 1061932842 /nfs/dbraw/zinc/93/28/42/1061932842.db2.gz AJGKHRCOTOZIIK-LEWJYISDSA-N 1 1 321.464 4.220 20 30 DIEDMO CC(C)[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001253766154 1061978055 /nfs/dbraw/zinc/97/80/55/1061978055.db2.gz BVJXRJDFUAKFQR-UWJYYQICSA-N 1 1 322.452 4.138 20 30 DIEDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001253768032 1061979249 /nfs/dbraw/zinc/97/92/49/1061979249.db2.gz QMJRALXMJVOKQU-UTKZUKDTSA-N 1 1 322.452 4.138 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC001474376568 1062018386 /nfs/dbraw/zinc/01/83/86/1062018386.db2.gz OCUQYHDVTNIPNC-INIZCTEOSA-N 1 1 308.425 4.458 20 30 DIEDMO COC1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCCCCC1 ZINC001474389561 1062040592 /nfs/dbraw/zinc/04/05/92/1062040592.db2.gz PEIWJKVLYXVOIR-UHFFFAOYSA-N 1 1 312.457 4.262 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001474389385 1062043501 /nfs/dbraw/zinc/04/35/01/1062043501.db2.gz OEJRCMJDSAKNCI-AWEZNQCLSA-N 1 1 305.849 4.220 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2nc(Cl)ccc2s1 ZINC001474402941 1062059128 /nfs/dbraw/zinc/05/91/28/1062059128.db2.gz RRTBRKZNKMIQLS-UHFFFAOYSA-N 1 1 307.850 4.321 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001459311907 1062080979 /nfs/dbraw/zinc/08/09/79/1062080979.db2.gz PVZVUZJOJPXJPO-UHFFFAOYSA-N 1 1 323.827 4.496 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001254356718 1062085021 /nfs/dbraw/zinc/08/50/21/1062085021.db2.gz RXTAVOGRTLUFFJ-MNNVXMFVSA-N 1 1 318.411 4.211 20 30 DIEDMO C[C@H]1C[N@@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C2(CC2)C1 ZINC001254359715 1062088467 /nfs/dbraw/zinc/08/84/67/1062088467.db2.gz OKBWMMBWDBUJPT-VNCLNFNDSA-N 1 1 312.432 4.404 20 30 DIEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccc(OC)cc1 ZINC001459345889 1062100240 /nfs/dbraw/zinc/10/02/40/1062100240.db2.gz UJDIHUPMDCZALD-CQSZACIVSA-N 1 1 314.256 4.267 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N(C)CC)cc1)[C@H]1CCc2ccccc21 ZINC001459344273 1062100529 /nfs/dbraw/zinc/10/05/29/1062100529.db2.gz LVYXQPBJMYKINH-QFIPXVFZSA-N 1 1 318.464 4.265 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCc2ccccc21 ZINC001459345347 1062101869 /nfs/dbraw/zinc/10/18/69/1062101869.db2.gz OGYCMZVZIFXYKX-FPOVZHCZSA-N 1 1 323.480 4.349 20 30 DIEDMO C#CC[N@@H+](Cc1cccc2ncccc12)[C@H]1CCc2ccccc21 ZINC001459348592 1062103156 /nfs/dbraw/zinc/10/31/56/1062103156.db2.gz YYRGTLFYEGXSCI-QFIPXVFZSA-N 1 1 312.416 4.358 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC001459349500 1062104983 /nfs/dbraw/zinc/10/49/83/1062104983.db2.gz KEGOHRAZEGFNMT-INIZCTEOSA-N 1 1 308.425 4.458 20 30 DIEDMO CC[N@@H+](C[C@H]1CCCC2(CCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355293 1062107971 /nfs/dbraw/zinc/10/79/71/1062107971.db2.gz WOIFSRBVPOOJEJ-VQIMIIECSA-N 1 1 312.457 4.433 20 30 DIEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCc2ccccc2C1 ZINC001459359755 1062110994 /nfs/dbraw/zinc/11/09/94/1062110994.db2.gz ZWXZQFDQMKDYFI-JOCHJYFZSA-N 1 1 321.439 4.447 20 30 DIEDMO CC(C)C[N@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC001459378050 1062116821 /nfs/dbraw/zinc/11/68/21/1062116821.db2.gz HTFZPADJEDDWNC-UHFFFAOYSA-N 1 1 319.861 4.326 20 30 DIEDMO CC(C)C[N@@H+](Cc1scnc1Cl)Cc1ccc(C#N)cc1 ZINC001459378050 1062116833 /nfs/dbraw/zinc/11/68/33/1062116833.db2.gz HTFZPADJEDDWNC-UHFFFAOYSA-N 1 1 319.861 4.326 20 30 DIEDMO C=CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)CCc1ccccc1 ZINC001459392595 1062123872 /nfs/dbraw/zinc/12/38/72/1062123872.db2.gz OHVHIOBEMWXRTD-AZUAARDMSA-N 1 1 301.474 4.312 20 30 DIEDMO C=CC[N@H+](CC[C@H]1CCCC1(F)F)Cc1cccc(C#N)c1 ZINC001459398397 1062127570 /nfs/dbraw/zinc/12/75/70/1062127570.db2.gz KTSZGGIFVPEEEG-QGZVFWFLSA-N 1 1 304.384 4.372 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)c(F)c1 ZINC001459403161 1062131966 /nfs/dbraw/zinc/13/19/66/1062131966.db2.gz GTBUOSAXIKTIAT-UHFFFAOYSA-N 1 1 305.755 4.254 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)c(F)c1 ZINC001459403161 1062131981 /nfs/dbraw/zinc/13/19/81/1062131981.db2.gz GTBUOSAXIKTIAT-UHFFFAOYSA-N 1 1 305.755 4.254 20 30 DIEDMO CCC[C@@H](CCc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001254493028 1062134152 /nfs/dbraw/zinc/13/41/52/1062134152.db2.gz IVOAYPWGVXPQBQ-ZWKOTPCHSA-N 1 1 315.482 4.062 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001459468697 1062154405 /nfs/dbraw/zinc/15/44/05/1062154405.db2.gz SYAVZWPWYGKHPI-OAQYLSRUSA-N 1 1 320.436 4.121 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)CC1CCCCC1 ZINC001459492202 1062166195 /nfs/dbraw/zinc/16/61/95/1062166195.db2.gz VFSZTWWEPOMTIX-GOSISDBHSA-N 1 1 307.865 4.442 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459499679 1062169747 /nfs/dbraw/zinc/16/97/47/1062169747.db2.gz BVWMLAORVJPXHC-OAQYLSRUSA-N 1 1 320.436 4.337 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)ccc1C#N ZINC001474506326 1062187125 /nfs/dbraw/zinc/18/71/25/1062187125.db2.gz UINCXSUXDGHAMD-UHFFFAOYSA-N 1 1 319.452 4.099 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC001459535029 1062189632 /nfs/dbraw/zinc/18/96/32/1062189632.db2.gz YVBORSVSLILRDB-VAMGGRTRSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC001459535029 1062189646 /nfs/dbraw/zinc/18/96/46/1062189646.db2.gz YVBORSVSLILRDB-VAMGGRTRSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001254649097 1062213256 /nfs/dbraw/zinc/21/32/56/1062213256.db2.gz MXGMNBNAOMYFBL-RKDXNWHRSA-N 1 1 303.620 4.429 20 30 DIEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001459538842 1062193170 /nfs/dbraw/zinc/19/31/70/1062193170.db2.gz SRNZSDUBKJIXGV-IRXDYDNUSA-N 1 1 306.494 4.376 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)c1ccc(C)cc1 ZINC001474517010 1062202340 /nfs/dbraw/zinc/20/23/40/1062202340.db2.gz NMUZTUUDICPWBZ-KRWDZBQOSA-N 1 1 313.441 4.262 20 30 DIEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254664988 1062223326 /nfs/dbraw/zinc/22/33/26/1062223326.db2.gz KPSPHKVAAUDYEU-REHHDOPLSA-N 1 1 323.484 4.013 20 30 DIEDMO N#C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676871 1062227585 /nfs/dbraw/zinc/22/75/85/1062227585.db2.gz OOMYGUNKROXYIV-FUHWJXTLSA-N 1 1 300.471 4.076 20 30 DIEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1F)C(C)(C)C2 ZINC001474541307 1062233180 /nfs/dbraw/zinc/23/31/80/1062233180.db2.gz KYRDFQLXCLFCGB-UHFFFAOYSA-N 1 1 308.400 4.343 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OCCC)cc1C)c1ccc(F)cc1 ZINC001474544276 1062236091 /nfs/dbraw/zinc/23/60/91/1062236091.db2.gz MPUJEQQNPCAHKA-FQEVSTJZSA-N 1 1 311.400 4.387 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC001255044089 1062304792 /nfs/dbraw/zinc/30/47/92/1062304792.db2.gz JYFCJBIBLGYMEX-KRWDZBQOSA-N 1 1 320.436 4.300 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001255044076 1062305653 /nfs/dbraw/zinc/30/56/53/1062305653.db2.gz JLRDEKXYGTVJJX-KRWDZBQOSA-N 1 1 320.436 4.300 20 30 DIEDMO COCc1c(C)cc(C)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1C ZINC001474601835 1062313941 /nfs/dbraw/zinc/31/39/41/1062313941.db2.gz XFQPHCXVVZDNHX-UHFFFAOYSA-N 1 1 320.436 4.146 20 30 DIEDMO COCc1c(C)cc(C)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c1C ZINC001474601835 1062313949 /nfs/dbraw/zinc/31/39/49/1062313949.db2.gz XFQPHCXVVZDNHX-UHFFFAOYSA-N 1 1 320.436 4.146 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001474619032 1062338231 /nfs/dbraw/zinc/33/82/31/1062338231.db2.gz LNJKKXFCLYFAHH-SFKKXYGYSA-N 1 1 300.402 4.286 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccn1)C1c2ccccc2-c2ccccc21 ZINC001459731861 1062344284 /nfs/dbraw/zinc/34/42/84/1062344284.db2.gz HJXIUBFZCWHXAI-UHFFFAOYSA-N 1 1 311.388 4.155 20 30 DIEDMO CC[C@H](CC#N)[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC001255154959 1062345835 /nfs/dbraw/zinc/34/58/35/1062345835.db2.gz IYKTUXMCSDMTKL-CQSZACIVSA-N 1 1 307.235 4.110 20 30 DIEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001255171744 1062348695 /nfs/dbraw/zinc/34/86/95/1062348695.db2.gz AENVUYRQALOADI-ZDUSSCGKSA-N 1 1 310.800 4.015 20 30 DIEDMO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001255172641 1062348758 /nfs/dbraw/zinc/34/87/58/1062348758.db2.gz RBIZVYSZBFPVSC-QRFRQXIXSA-N 1 1 311.473 4.013 20 30 DIEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H]2[C@@H](C1)c1ccccc1N2CC(C)C ZINC001255172641 1062348785 /nfs/dbraw/zinc/34/87/85/1062348785.db2.gz RBIZVYSZBFPVSC-QRFRQXIXSA-N 1 1 311.473 4.013 20 30 DIEDMO CCCCCCC[N@@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207878 1062356262 /nfs/dbraw/zinc/35/62/62/1062356262.db2.gz MZJDJKUVEXWLDN-BCDXTJNWSA-N 1 1 324.509 4.431 20 30 DIEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749162 1062357868 /nfs/dbraw/zinc/35/78/68/1062357868.db2.gz WFFVTKMYEGARQS-HUUCEWRRSA-N 1 1 302.487 4.003 20 30 DIEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC001459748821 1062359121 /nfs/dbraw/zinc/35/91/21/1062359121.db2.gz MUSMPDBMACIBTN-SFHVURJKSA-N 1 1 311.429 4.188 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C[C@H]2C[C@@H](OC)C2)C(C)(C)C)cc1 ZINC001459749808 1062363045 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ZINC001257141955 1063121366 /nfs/dbraw/zinc/12/13/66/1063121366.db2.gz KSNYUSYOTJCOGD-CVEARBPZSA-N 1 1 324.509 4.451 20 30 DIEDMO C=CCCC[N@H+](CC)CCc1cccc(OC(F)(F)F)c1 ZINC001460902726 1063126419 /nfs/dbraw/zinc/12/64/19/1063126419.db2.gz UYFHEVCRMMYZCF-UHFFFAOYSA-N 1 1 301.352 4.416 20 30 DIEDMO C#C[C@@H]1CCCC[N@H+]1CCOc1ccc(Oc2ccccc2)cc1 ZINC001460914749 1063133429 /nfs/dbraw/zinc/13/34/29/1063133429.db2.gz LIFDOALNLMYNTJ-GOSISDBHSA-N 1 1 321.420 4.345 20 30 DIEDMO COc1ccc2cc(CC[C@H](C)[N@H+]3CC[C@@](C)(C#N)C3)ccc2c1 ZINC001257285075 1063181237 /nfs/dbraw/zinc/18/12/37/1063181237.db2.gz MXOFVIGZNREWKP-KKSFZXQISA-N 1 1 322.452 4.405 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC001472726538 1063188453 /nfs/dbraw/zinc/18/84/53/1063188453.db2.gz GKLJKTUQWGXJPS-WBVHZDCISA-N 1 1 323.415 4.081 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](CC)CCCC)C2 ZINC001257418432 1063263777 /nfs/dbraw/zinc/26/37/77/1063263777.db2.gz CWHPOEPFOMVKAZ-CEXWTWQISA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CC[C@H](C)CCC)C2)C1=O ZINC001257477411 1063296075 /nfs/dbraw/zinc/29/60/75/1063296075.db2.gz JLIYUPOMRIXOKU-GGPKGHCWSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CC[C@@H](C)CCC)C2)C1=O ZINC001257477413 1063297237 /nfs/dbraw/zinc/29/72/37/1063297237.db2.gz JLIYUPOMRIXOKU-NSHGMRRFSA-N 1 1 320.521 4.092 20 30 DIEDMO C=C(Br)C[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC001461170584 1063307050 /nfs/dbraw/zinc/30/70/50/1063307050.db2.gz MHXCZYGJBMQNFR-UHFFFAOYSA-N 1 1 310.166 4.084 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CCCCC)C2 ZINC001257509525 1063316661 /nfs/dbraw/zinc/31/66/61/1063316661.db2.gz HEGBDCIVNXWXEG-GBESFXJTSA-N 1 1 309.494 4.029 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001257550911 1063331050 /nfs/dbraw/zinc/33/10/50/1063331050.db2.gz XITMDKJJRBDGKZ-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001257563507 1063336962 /nfs/dbraw/zinc/33/69/62/1063336962.db2.gz FYBDTMGPVPBZSZ-ZFWWWQNUSA-N 1 1 321.262 4.006 20 30 DIEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001257564330 1063338246 /nfs/dbraw/zinc/33/82/46/1063338246.db2.gz KYFAOANSLYJDJD-HIFRSBDPSA-N 1 1 321.262 4.006 20 30 DIEDMO C=C(C)C[N@H+](CC)C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257591681 1063348367 /nfs/dbraw/zinc/34/83/67/1063348367.db2.gz RRVYRMQIWYUQPP-GJZGRUSLSA-N 1 1 310.482 4.061 20 30 DIEDMO CCCCCCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001479016510 1063357392 /nfs/dbraw/zinc/35/73/92/1063357392.db2.gz ZONMVSUCZAFKTD-SFHVURJKSA-N 1 1 323.525 4.053 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257833095 1063401035 /nfs/dbraw/zinc/40/10/35/1063401035.db2.gz LUUQSIFWOAGUCD-QHGAOEGBSA-N 1 1 312.457 4.140 20 30 DIEDMO N#C[C@H]1CCC[N@H+](C2CCC(OCc3ccccc3)CC2)CC1 ZINC001257834804 1063403363 /nfs/dbraw/zinc/40/33/63/1063403363.db2.gz WDPXLKQILPNDSV-KKXNLOMOSA-N 1 1 312.457 4.140 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc2ccccc21 ZINC001473107727 1063404451 /nfs/dbraw/zinc/40/44/51/1063404451.db2.gz CQLSZKIEZBFSDZ-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC001473110803 1063408279 /nfs/dbraw/zinc/40/82/79/1063408279.db2.gz AAFHEDYALUPJOY-HXUWFJFHSA-N 1 1 320.436 4.034 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1F ZINC001473113096 1063412467 /nfs/dbraw/zinc/41/24/67/1063412467.db2.gz WMHLMPDVVJWYKK-LJQANCHMSA-N 1 1 308.400 4.295 20 30 DIEDMO CC(C)OC1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001257877998 1063421296 /nfs/dbraw/zinc/42/12/96/1063421296.db2.gz GTWYJCOPKMCJRX-UHFFFAOYSA-N 1 1 300.446 4.138 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H](CF)[C@H](C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257892081 1063430460 /nfs/dbraw/zinc/43/04/60/1063430460.db2.gz SMKPCSBDZCYQKY-VVYWCFLBSA-N 1 1 305.359 4.201 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@@H]3c3noc(C)n3)C[C@H](C1)C2 ZINC001257892713 1063432170 /nfs/dbraw/zinc/43/21/70/1063432170.db2.gz BONOMVXORLAXPX-FCLJQHQZSA-N 1 1 301.434 4.040 20 30 DIEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473135237 1063443973 /nfs/dbraw/zinc/44/39/73/1063443973.db2.gz DNFUHVHPKJMMHJ-LJQANCHMSA-N 1 1 304.437 4.473 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC001473136426 1063444506 /nfs/dbraw/zinc/44/45/06/1063444506.db2.gz BFDOJXPJPBRKGD-UHFFFAOYSA-N 1 1 320.411 4.262 20 30 DIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC001473143393 1063449202 /nfs/dbraw/zinc/44/92/02/1063449202.db2.gz DRSJDNXNEPGYNC-HXUWFJFHSA-N 1 1 307.412 4.447 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001258045341 1063477617 /nfs/dbraw/zinc/47/76/17/1063477617.db2.gz ZJSKDYHORJBHGY-WMZOPIPTSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001258045146 1063477810 /nfs/dbraw/zinc/47/78/10/1063477810.db2.gz XCUPJFVCRXTWCI-JKSUJKDBSA-N 1 1 307.482 4.155 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001258045146 1063477814 /nfs/dbraw/zinc/47/78/14/1063477814.db2.gz XCUPJFVCRXTWCI-JKSUJKDBSA-N 1 1 307.482 4.155 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001258045144 1063478488 /nfs/dbraw/zinc/47/84/88/1063478488.db2.gz XCUPJFVCRXTWCI-HOTGVXAUSA-N 1 1 307.482 4.155 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001258045144 1063478498 /nfs/dbraw/zinc/47/84/98/1063478498.db2.gz XCUPJFVCRXTWCI-HOTGVXAUSA-N 1 1 307.482 4.155 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001258047528 1063480986 /nfs/dbraw/zinc/48/09/86/1063480986.db2.gz LSJVJEZUGFIJCD-DFQSSKMNSA-N 1 1 323.521 4.395 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001258048648 1063481034 /nfs/dbraw/zinc/48/10/34/1063481034.db2.gz WOPSZQQXEFKBTO-KRWDZBQOSA-N 1 1 321.509 4.374 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001258047533 1063481538 /nfs/dbraw/zinc/48/15/38/1063481538.db2.gz LSMZPTQYFVRFFX-OXJNMPFZSA-N 1 1 314.473 4.331 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC001473176147 1063482748 /nfs/dbraw/zinc/48/27/48/1063482748.db2.gz SOSCKTVRGUGTDC-ROUUACIJSA-N 1 1 318.436 4.113 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001473176100 1063483725 /nfs/dbraw/zinc/48/37/25/1063483725.db2.gz RQZUEUWBUKSZHC-QZTJIDSGSA-N 1 1 316.445 4.101 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186558 1063493583 /nfs/dbraw/zinc/49/35/83/1063493583.db2.gz MESKTIJWTFXSDY-VQTJNVASSA-N 1 1 305.425 4.030 20 30 DIEDMO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccncc2C#N)c1C ZINC001473187277 1063497848 /nfs/dbraw/zinc/49/78/48/1063497848.db2.gz PDAOKIKLSNGEOQ-FQEVSTJZSA-N 1 1 305.425 4.297 20 30 DIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2Cc2ccncc2C#N)c1C ZINC001473187277 1063497857 /nfs/dbraw/zinc/49/78/57/1063497857.db2.gz PDAOKIKLSNGEOQ-FQEVSTJZSA-N 1 1 305.425 4.297 20 30 DIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258089515 1063515364 /nfs/dbraw/zinc/51/53/64/1063515364.db2.gz UDRQESCGSODPNC-QUCCMNQESA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CCCC(=O)OCC ZINC001258127480 1063528787 /nfs/dbraw/zinc/52/87/87/1063528787.db2.gz RXSYSPVZWLSOQF-QGZVFWFLSA-N 1 1 303.446 4.187 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001258228806 1063569229 /nfs/dbraw/zinc/56/92/29/1063569229.db2.gz KBIKTARYDCJCAW-ROUUACIJSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258232205 1063571673 /nfs/dbraw/zinc/57/16/73/1063571673.db2.gz CDJBOHKAFJQXIC-IRXDYDNUSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001258232187 1063572208 /nfs/dbraw/zinc/57/22/08/1063572208.db2.gz BHIHIWAJCBTRRY-INIZCTEOSA-N 1 1 317.539 4.025 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCCCCCC1)CC2 ZINC001258240368 1063576335 /nfs/dbraw/zinc/57/63/35/1063576335.db2.gz QOOHGFHSNIRSKA-HXUWFJFHSA-N 1 1 318.505 4.132 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCCCCCC1)C2 ZINC001258240880 1063579045 /nfs/dbraw/zinc/57/90/45/1063579045.db2.gz UPBVPVRJKLFQGM-VQTJNVASSA-N 1 1 321.505 4.173 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258286134 1063587086 /nfs/dbraw/zinc/58/70/86/1063587086.db2.gz GXOFDLFGGKRRQK-CMKODMSKSA-N 1 1 321.505 4.029 20 30 DIEDMO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001258315084 1063604903 /nfs/dbraw/zinc/60/49/03/1063604903.db2.gz ATHOHZGCBDRKFC-RHSMWYFYSA-N 1 1 306.475 4.306 20 30 DIEDMO COc1ccc(CC[C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001258406222 1063642929 /nfs/dbraw/zinc/64/29/29/1063642929.db2.gz PPRSRKGNZHGXHV-MRXNPFEDSA-N 1 1 308.425 4.020 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](CC)CCCCC)C2 ZINC001258441974 1063656114 /nfs/dbraw/zinc/65/61/14/1063656114.db2.gz VDJMAERFVOWAFV-GBESFXJTSA-N 1 1 309.494 4.171 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258564396 1063694146 /nfs/dbraw/zinc/69/41/46/1063694146.db2.gz IQTYDRUKSXNJEC-MRXNPFEDSA-N 1 1 324.509 4.453 20 30 DIEDMO CCC[C@@H](Cc1ccccc1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258657591 1063728088 /nfs/dbraw/zinc/72/80/88/1063728088.db2.gz ROZJPPGLDTVYJL-NRFANRHFSA-N 1 1 304.437 4.328 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](CCC)CCCCC)C2)C1=O ZINC001258670138 1063737870 /nfs/dbraw/zinc/73/78/70/1063737870.db2.gz YEHAROAMFLFIBW-UYAOXDASSA-N 1 1 320.521 4.236 20 30 DIEDMO COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC001461842921 1063746504 /nfs/dbraw/zinc/74/65/04/1063746504.db2.gz MRMFTPLYXJBRKA-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC001461842921 1063746517 /nfs/dbraw/zinc/74/65/17/1063746517.db2.gz MRMFTPLYXJBRKA-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC001461854799 1063750696 /nfs/dbraw/zinc/75/06/96/1063750696.db2.gz VFMZFMIILBCVAB-SFHVURJKSA-N 1 1 310.416 4.459 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCc2ccccc2C1 ZINC001461868724 1063759031 /nfs/dbraw/zinc/75/90/31/1063759031.db2.gz DZVVKPAEABWYIS-LJQANCHMSA-N 1 1 321.464 4.488 20 30 DIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001461875240 1063765497 /nfs/dbraw/zinc/76/54/97/1063765497.db2.gz PAFRACXTCQHFKL-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCCN(C(C)=O)CC1 ZINC001258714696 1063771066 /nfs/dbraw/zinc/77/10/66/1063771066.db2.gz UJJOOZLHEXYMIK-LJQANCHMSA-N 1 1 310.526 4.316 20 30 DIEDMO CNc1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC001461884285 1063775568 /nfs/dbraw/zinc/77/55/68/1063775568.db2.gz SCIFNSQKVZCTKM-UYAOXDASSA-N 1 1 305.425 4.000 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001461884198 1063776090 /nfs/dbraw/zinc/77/60/90/1063776090.db2.gz ROWCKNRUNHWFQZ-FGZHOGPDSA-N 1 1 316.448 4.447 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726822 1063778890 /nfs/dbraw/zinc/77/88/90/1063778890.db2.gz XJTGRMMLKGFZGR-LPHOPBHVSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725369 1063779716 /nfs/dbraw/zinc/77/97/16/1063779716.db2.gz KRTFNIXMGXLJAU-MSOLQXFVSA-N 1 1 314.473 4.451 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC001258732742 1063780554 /nfs/dbraw/zinc/78/05/54/1063780554.db2.gz BQIPPHSFUSQCQO-OAHLLOKOSA-N 1 1 303.446 4.197 20 30 DIEDMO C=CCC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001258731237 1063780741 /nfs/dbraw/zinc/78/07/41/1063780741.db2.gz BTYZXHWQOICAAS-QXAKKESOSA-N 1 1 315.457 4.152 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731013 1063781230 /nfs/dbraw/zinc/78/12/30/1063781230.db2.gz TYJUCBABCSSTCW-XLIONFOSSA-N 1 1 316.464 4.221 20 30 DIEDMO C=CCC[C@@H](C)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001258731013 1063781249 /nfs/dbraw/zinc/78/12/49/1063781249.db2.gz TYJUCBABCSSTCW-XLIONFOSSA-N 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316.420 4.050 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1ccc(F)cc1C#N ZINC000179750389 333155043 /nfs/dbraw/zinc/15/50/43/333155043.db2.gz ZQDZSJUSHFKOMP-SFHVURJKSA-N 1 1 312.388 4.337 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000180858008 333165713 /nfs/dbraw/zinc/16/57/13/333165713.db2.gz UPPAAJBGXNWHJI-UHFFFAOYSA-N 1 1 305.425 4.047 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000497198066 333220873 /nfs/dbraw/zinc/22/08/73/333220873.db2.gz IXNWSZUVHMXRDX-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000497263988 333229008 /nfs/dbraw/zinc/22/90/08/333229008.db2.gz VJDLUKIZJWIURJ-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618730 333270842 /nfs/dbraw/zinc/27/08/42/333270842.db2.gz HCAVTYFMGFEYQW-OAHLLOKOSA-N 1 1 323.396 4.358 20 30 DIEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492609379 333305059 /nfs/dbraw/zinc/30/50/59/333305059.db2.gz SZJKAAVYJQTVDH-RISCZKNCSA-N 1 1 307.235 4.084 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000525786554 333312117 /nfs/dbraw/zinc/31/21/17/333312117.db2.gz ZBLAKWTVMIWSHJ-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CCCCCCCCC(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000365990091 333478972 /nfs/dbraw/zinc/47/89/72/333478972.db2.gz QAONQYQNHHDBBD-UHFFFAOYSA-N 1 1 305.466 4.106 20 30 DIEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000343441930 335165059 /nfs/dbraw/zinc/16/50/59/335165059.db2.gz LRYJNUVEPVJEDK-UHFFFAOYSA-N 1 1 303.837 4.150 20 30 DIEDMO C=CCC[N@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000343442860 335165129 /nfs/dbraw/zinc/16/51/29/335165129.db2.gz NBKIXNQSSZBUAO-UHFFFAOYSA-N 1 1 302.443 4.038 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271262619 334020668 /nfs/dbraw/zinc/02/06/68/334020668.db2.gz KXTKTXSSAVNODN-IAGOWNOFSA-N 1 1 318.461 4.278 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000271993223 334029543 /nfs/dbraw/zinc/02/95/43/334029543.db2.gz FMXUSPIZQPMTGI-JKSUJKDBSA-N 1 1 320.502 4.356 20 30 DIEDMO Cc1c(Cl)c(C[NH+]2CCC(C)(C#N)CC2)nc2ccccc12 ZINC000272496113 334035352 /nfs/dbraw/zinc/03/53/52/334035352.db2.gz CYIXMKFHIAKHDP-UHFFFAOYSA-N 1 1 313.832 4.322 20 30 DIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476936 334048032 /nfs/dbraw/zinc/04/80/32/334048032.db2.gz KLLLGCYSOAPEBP-QZTJIDSGSA-N 1 1 318.436 4.308 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000277636492 334089618 /nfs/dbraw/zinc/08/96/18/334089618.db2.gz HEOPWJLXEGZDNK-LJQANCHMSA-N 1 1 314.473 4.078 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718459 334100156 /nfs/dbraw/zinc/10/01/56/334100156.db2.gz UXPQIXRCYGIJOH-OZOXKJRCSA-N 1 1 302.421 4.326 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000278846398 334102185 /nfs/dbraw/zinc/10/21/85/334102185.db2.gz REOKATPBIYBRHI-QGZVFWFLSA-N 1 1 300.446 4.107 20 30 DIEDMO COCc1ccc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000278864143 334102496 /nfs/dbraw/zinc/10/24/96/334102496.db2.gz SGASVSWDGNAITP-MRXNPFEDSA-N 1 1 304.434 4.283 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281958302 334130060 /nfs/dbraw/zinc/13/00/60/334130060.db2.gz KEHQVIKJUQXDDZ-AWEZNQCLSA-N 1 1 322.399 4.058 20 30 DIEDMO CC(C)c1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282008175 334130346 /nfs/dbraw/zinc/13/03/46/334130346.db2.gz OEYWOANHBIUIDQ-UHFFFAOYSA-N 1 1 314.473 4.342 20 30 DIEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000282143116 334131959 /nfs/dbraw/zinc/13/19/59/334131959.db2.gz ZRRNWSHUXRISNL-QGZVFWFLSA-N 1 1 300.446 4.088 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccs1 ZINC000286951287 334155150 /nfs/dbraw/zinc/15/51/50/334155150.db2.gz MOWJVGRKTOFCLV-KRWDZBQOSA-N 1 1 312.438 4.234 20 30 DIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000286999054 334155824 /nfs/dbraw/zinc/15/58/24/334155824.db2.gz PXUPKURHFYYZLC-UHFFFAOYSA-N 1 1 306.400 4.497 20 30 DIEDMO COc1ccc(Cl)cc1[C@@H](CC(C)C)[NH2+]CC1(C#N)CC1 ZINC000343584424 335179393 /nfs/dbraw/zinc/17/93/93/335179393.db2.gz OPTXFEKVMFDGQY-OAHLLOKOSA-N 1 1 306.837 4.329 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000289183017 334163859 /nfs/dbraw/zinc/16/38/59/334163859.db2.gz APRRGVYIVUBEGJ-UHFFFAOYSA-N 1 1 321.468 4.456 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000289464867 334165588 /nfs/dbraw/zinc/16/55/88/334165588.db2.gz YOEHJNAMNCYVIA-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO COc1cc2c(cc1Cl)C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000293311774 334197139 /nfs/dbraw/zinc/19/71/39/334197139.db2.gz XBLOFKMXZLFMRH-UHFFFAOYSA-N 1 1 306.837 4.037 20 30 DIEDMO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@H](C)CCC#N)C3)cs1 ZINC000299713558 334257539 /nfs/dbraw/zinc/25/75/39/334257539.db2.gz QVVWHFWAIUUDSF-LLVKDONJSA-N 1 1 317.483 4.230 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000187717518 334269694 /nfs/dbraw/zinc/26/96/94/334269694.db2.gz DZXOZHNDPZLXAG-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C[N@@H+](CCCNc1ccc(C#N)c(Cl)c1)Cc1ccccc1 ZINC000110531690 334282625 /nfs/dbraw/zinc/28/26/25/334282625.db2.gz JLBANAQJWZYALY-UHFFFAOYSA-N 1 1 313.832 4.146 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000303335372 334312178 /nfs/dbraw/zinc/31/21/78/334312178.db2.gz XJBGQGWTODUBOD-UHFFFAOYSA-N 1 1 317.436 4.169 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(C)c2ccccc2n1 ZINC000303335372 334312179 /nfs/dbraw/zinc/31/21/79/334312179.db2.gz XJBGQGWTODUBOD-UHFFFAOYSA-N 1 1 317.436 4.169 20 30 DIEDMO COc1ccc(CCC[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000303723451 334329743 /nfs/dbraw/zinc/32/97/43/334329743.db2.gz SEASSIFNJAAPJR-MRXNPFEDSA-N 1 1 308.425 4.192 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840191 334336328 /nfs/dbraw/zinc/33/63/28/334336328.db2.gz BMDOMZAZHWGDJZ-RTBURBONSA-N 1 1 312.457 4.118 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000341573466 334453201 /nfs/dbraw/zinc/45/32/01/334453201.db2.gz LQPJQRNPVCQUKL-MRXNPFEDSA-N 1 1 322.305 4.481 20 30 DIEDMO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000344057757 335213986 /nfs/dbraw/zinc/21/39/86/335213986.db2.gz WSYHQEHBJSDRGC-UHFFFAOYSA-N 1 1 324.428 4.151 20 30 DIEDMO CCc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000346131347 335379320 /nfs/dbraw/zinc/37/93/20/335379320.db2.gz AUHOGUZULQUIGH-UHFFFAOYSA-N 1 1 313.470 4.235 20 30 DIEDMO CCc1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000346131347 335379321 /nfs/dbraw/zinc/37/93/21/335379321.db2.gz AUHOGUZULQUIGH-UHFFFAOYSA-N 1 1 313.470 4.235 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccccc1-c1ccnn1C ZINC000351397859 336032198 /nfs/dbraw/zinc/03/21/98/336032198.db2.gz NOZCBZVQILHAHL-UHFFFAOYSA-N 1 1 324.472 4.239 20 30 DIEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332239692 336164431 /nfs/dbraw/zinc/16/44/31/336164431.db2.gz UFQKYRJUBGDYEH-IAGOWNOFSA-N 1 1 313.445 4.283 20 30 DIEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695798 336179309 /nfs/dbraw/zinc/17/93/09/336179309.db2.gz VAVBJGNHYZAWJL-DOTOQJQBSA-N 1 1 324.428 4.009 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)cc2cccnc21 ZINC000352702200 336231449 /nfs/dbraw/zinc/23/14/49/336231449.db2.gz UAELBXFXKQRXKY-UHFFFAOYSA-N 1 1 310.372 4.198 20 30 DIEDMO C[N@@H+](CCCNc1c(C#N)cnc2ccccc21)C1CCCCC1 ZINC000324656216 336240751 /nfs/dbraw/zinc/24/07/51/336240751.db2.gz YWUORHIEUQWKLH-UHFFFAOYSA-N 1 1 322.456 4.173 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC2CCOCC2)C(C)(C)C)cc1 ZINC000532398796 336244784 /nfs/dbraw/zinc/24/47/84/336244784.db2.gz KKVYOXWQUDVRJP-UHFFFAOYSA-N 1 1 317.473 4.279 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H](CC2CCCC2)c2ccccc2)n1 ZINC000352829442 336267482 /nfs/dbraw/zinc/26/74/82/336267482.db2.gz BFUMVMRJEMQKFM-QGZVFWFLSA-N 1 1 311.454 4.426 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941919 336275248 /nfs/dbraw/zinc/27/52/48/336275248.db2.gz YNMMWJITYOVWHN-OXQOHEQNSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941919 336275249 /nfs/dbraw/zinc/27/52/49/336275249.db2.gz YNMMWJITYOVWHN-OXQOHEQNSA-N 1 1 306.409 4.001 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000352855650 336280939 /nfs/dbraw/zinc/28/09/39/336280939.db2.gz UNEKHDAGYRXBOJ-INIZCTEOSA-N 1 1 317.845 4.299 20 30 DIEDMO CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352861293 336282043 /nfs/dbraw/zinc/28/20/43/336282043.db2.gz GOWQQZJYQQJPCB-INIZCTEOSA-N 1 1 311.454 4.208 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(C#N)cnc2ccccc21 ZINC000301355921 336302195 /nfs/dbraw/zinc/30/21/95/336302195.db2.gz KKLDPBOHPGNQFM-INIZCTEOSA-N 1 1 322.456 4.173 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(F)cc2C#N)cc1 ZINC000301747305 336327361 /nfs/dbraw/zinc/32/73/61/336327361.db2.gz QXBFWJHGOYXIAI-ZDUSSCGKSA-N 1 1 320.371 4.365 20 30 DIEDMO COc1cccc2c(NCc3cc(C#N)ccc3F)c(C)c[nH+]c12 ZINC000302616155 336362669 /nfs/dbraw/zinc/36/26/69/336362669.db2.gz FYAIXCMBOZQAPS-UHFFFAOYSA-N 1 1 321.355 4.175 20 30 DIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836988 336371507 /nfs/dbraw/zinc/37/15/07/336371507.db2.gz XAWMMTGKUMXJFF-ROUUACIJSA-N 1 1 311.816 4.069 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000563978012 336389475 /nfs/dbraw/zinc/38/94/75/336389475.db2.gz RFBJBVYDTKRCKV-WKCHPHFGSA-N 1 1 302.421 4.469 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000367317344 336637901 /nfs/dbraw/zinc/63/79/01/336637901.db2.gz KBIZTTCRYPOYOW-JOCHJYFZSA-N 1 1 312.416 4.251 20 30 DIEDMO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc2)cs1 ZINC000358880560 336645941 /nfs/dbraw/zinc/64/59/41/336645941.db2.gz XUXYBJUEQVOHFV-ZFWWWQNUSA-N 1 1 324.453 4.213 20 30 DIEDMO Cc1[nH+]cn(-c2ccc(NCc3cc(C#N)cs3)cc2)c1C ZINC000361236950 336745985 /nfs/dbraw/zinc/74/59/85/336745985.db2.gz HFDOULKHNZLTDR-UHFFFAOYSA-N 1 1 308.410 4.034 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccccc2OCc2ccccc2)CCC1 ZINC000418145319 336896835 /nfs/dbraw/zinc/89/68/35/336896835.db2.gz XJFORXSWCQAQIE-UHFFFAOYSA-N 1 1 306.409 4.049 20 30 DIEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000375400993 337010504 /nfs/dbraw/zinc/01/05/04/337010504.db2.gz CGSHPOPZYXZWIO-GDBMZVCRSA-N 1 1 306.475 4.230 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000375400993 337010505 /nfs/dbraw/zinc/01/05/05/337010505.db2.gz CGSHPOPZYXZWIO-GDBMZVCRSA-N 1 1 306.475 4.230 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000377510465 337054010 /nfs/dbraw/zinc/05/40/10/337054010.db2.gz GFGNCUCSMHYRLW-HNNXBMFYSA-N 1 1 307.235 4.280 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000378600833 337076484 /nfs/dbraw/zinc/07/64/84/337076484.db2.gz YYRGJKKEXSTFOG-IBGZPJMESA-N 1 1 320.440 4.037 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000360039094 337084081 /nfs/dbraw/zinc/08/40/81/337084081.db2.gz XMKMTJZYBOJUJU-OAHLLOKOSA-N 1 1 315.442 4.002 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000360039093 337084219 /nfs/dbraw/zinc/08/42/19/337084219.db2.gz XMKMTJZYBOJUJU-HNNXBMFYSA-N 1 1 315.442 4.002 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000174818912 337142418 /nfs/dbraw/zinc/14/24/18/337142418.db2.gz JGVQQPQQSWGGBZ-OAHLLOKOSA-N 1 1 311.429 4.337 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)Cc1cccs1 ZINC000174707599 337143190 /nfs/dbraw/zinc/14/31/90/337143190.db2.gz KXWJYOUPVFMPIR-UHFFFAOYSA-N 1 1 314.454 4.073 20 30 DIEDMO C=CCCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000175350073 337145194 /nfs/dbraw/zinc/14/51/94/337145194.db2.gz BDOMONBNHSFVQW-UHFFFAOYSA-N 1 1 311.429 4.350 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266763 337296401 /nfs/dbraw/zinc/29/64/01/337296401.db2.gz VWTVGYLJKLGZEC-RDTXWAMCSA-N 1 1 321.380 4.050 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191461174 337297173 /nfs/dbraw/zinc/29/71/73/337297173.db2.gz YZPGCSARGCTBTQ-CQSZACIVSA-N 1 1 319.202 4.177 20 30 DIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@@H]1C ZINC000120157326 337395501 /nfs/dbraw/zinc/39/55/01/337395501.db2.gz JVBGABZRKMIBJW-WMLDXEAASA-N 1 1 324.428 4.009 20 30 DIEDMO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3cc(Br)ccc23)C1 ZINC000425273891 337446077 /nfs/dbraw/zinc/44/60/77/337446077.db2.gz PMGVRQLXFOWBLB-CMPLNLGQSA-N 1 1 316.202 4.101 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1c(C)nsc1C)c1ccc(F)c(F)c1 ZINC000564096745 337454040 /nfs/dbraw/zinc/45/40/40/337454040.db2.gz PSDHPSLUOKORBG-MRXNPFEDSA-N 1 1 308.397 4.445 20 30 DIEDMO C#CC[C@H]([NH2+][C@H](C)c1nc2c(s1)CCCC2)c1ccccc1 ZINC000271408258 337644363 /nfs/dbraw/zinc/64/43/63/337644363.db2.gz AIMXSKYAPYRBPO-ZBFHGGJFSA-N 1 1 310.466 4.437 20 30 DIEDMO COc1cccc(F)c1[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000537159381 337902372 /nfs/dbraw/zinc/90/23/72/337902372.db2.gz QIJUVGWVKVEDSM-ZDUSSCGKSA-N 1 1 317.791 4.190 20 30 DIEDMO C[C@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 ZINC000537405666 337933525 /nfs/dbraw/zinc/93/35/25/337933525.db2.gz UARHVSFIKNOXPW-MGPLVRAMSA-N 1 1 316.763 4.135 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000426149982 338021391 /nfs/dbraw/zinc/02/13/91/338021391.db2.gz CYQBNKOMTPVXFW-UHFFFAOYSA-N 1 1 309.335 4.103 20 30 DIEDMO Cc1nc2ccc(C[N@@H+](CCC#N)CCC(C)C)cc2s1 ZINC000426400823 338030709 /nfs/dbraw/zinc/03/07/09/338030709.db2.gz LEZZGOXCSFKGTN-UHFFFAOYSA-N 1 1 301.459 4.367 20 30 DIEDMO Cc1nc2ccc(C[N@H+](CCC#N)CCC(C)C)cc2s1 ZINC000426400823 338030710 /nfs/dbraw/zinc/03/07/10/338030710.db2.gz LEZZGOXCSFKGTN-UHFFFAOYSA-N 1 1 301.459 4.367 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)Cc1ccsc1 ZINC000426481599 338033332 /nfs/dbraw/zinc/03/33/32/338033332.db2.gz GZQKKJVUTGJSHI-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428315965 338046899 /nfs/dbraw/zinc/04/68/99/338046899.db2.gz QIBYPOFOYRQIQJ-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cccc(F)c1C#N ZINC000428331028 338047617 /nfs/dbraw/zinc/04/76/17/338047617.db2.gz OGAXUYWLPWZRTI-SFHVURJKSA-N 1 1 312.388 4.337 20 30 DIEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)c(F)c1 ZINC000428349494 338048388 /nfs/dbraw/zinc/04/83/88/338048388.db2.gz VUQIDIJNNACUFE-UHFFFAOYSA-N 1 1 304.315 4.000 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)ccc1OC ZINC000428457325 338053006 /nfs/dbraw/zinc/05/30/06/338053006.db2.gz WQTGNZLIAAQUKB-IRXDYDNUSA-N 1 1 301.430 4.025 20 30 DIEDMO CC[C@H]1C[C@]1([NH2+]Cc1cccc(F)c1C#N)c1cccc(C)c1 ZINC000428967718 338067110 /nfs/dbraw/zinc/06/71/10/338067110.db2.gz XZGXPYBKSVFSMV-OXJNMPFZSA-N 1 1 308.400 4.421 20 30 DIEDMO C=CCOCCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000429175565 338072559 /nfs/dbraw/zinc/07/25/59/338072559.db2.gz JLOCWTPFWONAMV-MRXNPFEDSA-N 1 1 311.878 4.099 20 30 DIEDMO C=C(CC)C[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430272684 338103863 /nfs/dbraw/zinc/10/38/63/338103863.db2.gz YJDWZLOCPSTFFF-UHFFFAOYSA-N 1 1 303.837 4.042 20 30 DIEDMO C=C(CC)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430272684 338103864 /nfs/dbraw/zinc/10/38/64/338103864.db2.gz YJDWZLOCPSTFFF-UHFFFAOYSA-N 1 1 303.837 4.042 20 30 DIEDMO N#CCSCCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000432019882 338143675 /nfs/dbraw/zinc/14/36/75/338143675.db2.gz NJGGHMYMKFANBU-INIZCTEOSA-N 1 1 310.413 4.139 20 30 DIEDMO C[N@@H+](CCS[C@@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018589 338176453 /nfs/dbraw/zinc/17/64/53/338176453.db2.gz FFKCEGVBJPPZAI-SFHVURJKSA-N 1 1 302.487 4.324 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000433028912 338177228 /nfs/dbraw/zinc/17/72/28/338177228.db2.gz QKLCRNDSHACGEV-INIZCTEOSA-N 1 1 305.381 4.353 20 30 DIEDMO C[N@@H+](CCSCc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000433028821 338177267 /nfs/dbraw/zinc/17/72/67/338177267.db2.gz DNLYGJMALHGBKQ-UHFFFAOYSA-N 1 1 314.429 4.063 20 30 DIEDMO C[N@@H+](CCSCc1cccc(C#N)c1F)Cc1ccccc1 ZINC000433045672 338178199 /nfs/dbraw/zinc/17/81/99/338178199.db2.gz FRQSGDJSDHNRAQ-UHFFFAOYSA-N 1 1 314.429 4.063 20 30 DIEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052430 338178808 /nfs/dbraw/zinc/17/88/08/338178808.db2.gz MGTQRYIIFRIJGD-QFBILLFUSA-N 1 1 322.456 4.084 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccc(F)c(Cl)c1 ZINC000433260958 338188480 /nfs/dbraw/zinc/18/84/80/338188480.db2.gz UERWZHATAMUIIF-UHFFFAOYSA-N 1 1 306.743 4.122 20 30 DIEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)ccc1F ZINC000433309039 338191230 /nfs/dbraw/zinc/19/12/30/338191230.db2.gz WKSNCOHOQZSFRV-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1F ZINC000433315924 338191778 /nfs/dbraw/zinc/19/17/78/338191778.db2.gz CSWRKANFLTYHTD-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@H]2c2ccccc2)cc(OC)c1O ZINC000434985314 338228822 /nfs/dbraw/zinc/22/88/22/338228822.db2.gz HXUPNQLPHZMMFU-SFHVURJKSA-N 1 1 309.409 4.076 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1F ZINC000437084060 338299933 /nfs/dbraw/zinc/29/99/33/338299933.db2.gz UENXGWBLGYJPPD-PIGZYNQJSA-N 1 1 314.335 4.011 20 30 DIEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000438330810 338339919 /nfs/dbraw/zinc/33/99/19/338339919.db2.gz WCSLDUYLQISFST-GOSISDBHSA-N 1 1 300.446 4.237 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCOc2c(F)cccc21 ZINC000438483920 338345617 /nfs/dbraw/zinc/34/56/17/338345617.db2.gz OOBVJAZAVUAOCH-QGZVFWFLSA-N 1 1 313.372 4.004 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)c(Cl)c1 ZINC000439442561 338369589 /nfs/dbraw/zinc/36/95/89/338369589.db2.gz SEFLQOHCMLJGHV-UHFFFAOYSA-N 1 1 308.812 4.259 20 30 DIEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)c(Cl)c1 ZINC000439442561 338369590 /nfs/dbraw/zinc/36/95/90/338369590.db2.gz SEFLQOHCMLJGHV-UHFFFAOYSA-N 1 1 308.812 4.259 20 30 DIEDMO COc1cc(C[NH2+][C@H](C)c2c(F)cccc2Cl)ccc1C#N ZINC000440625904 338393079 /nfs/dbraw/zinc/39/30/79/338393079.db2.gz FBFYBTWNLJHBTP-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO CC(C)CCOC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000441144146 338402873 /nfs/dbraw/zinc/40/28/73/338402873.db2.gz FVVVNLKZBGBIOZ-UHFFFAOYSA-N 1 1 319.876 4.219 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000160114133 338542818 /nfs/dbraw/zinc/54/28/18/338542818.db2.gz PYNKIEZFOSSJDL-GFCCVEGCSA-N 1 1 302.324 4.010 20 30 DIEDMO C=CCC(C)(C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000449219950 338603490 /nfs/dbraw/zinc/60/34/90/338603490.db2.gz GAARLLYESHNWGQ-UHFFFAOYSA-N 1 1 321.490 4.060 20 30 DIEDMO C[C@H]1Cc2[nH+]cn(Cc3ccccc3C(C)(C)C#N)c2C[C@@H]1C ZINC000450995273 338716261 /nfs/dbraw/zinc/71/62/61/338716261.db2.gz DWAQGIYWLGRKAA-GJZGRUSLSA-N 1 1 307.441 4.103 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000459392975 339026674 /nfs/dbraw/zinc/02/66/74/339026674.db2.gz XEYBZDYNKPVKEF-UHFFFAOYSA-N 1 1 321.380 4.026 20 30 DIEDMO CCC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459469805 339031029 /nfs/dbraw/zinc/03/10/29/339031029.db2.gz MTLYIUPEAKDHCQ-KRWDZBQOSA-N 1 1 309.369 4.097 20 30 DIEDMO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000459484179 339032065 /nfs/dbraw/zinc/03/20/65/339032065.db2.gz ZWYLOIVSQCBATD-KRWDZBQOSA-N 1 1 309.369 4.016 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673367 339042253 /nfs/dbraw/zinc/04/22/53/339042253.db2.gz YLFKCPISANKXKG-LSDHHAIUSA-N 1 1 319.411 4.412 20 30 DIEDMO C[C@@H]1C[C@]1([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)cc1 ZINC000503433976 339070329 /nfs/dbraw/zinc/07/03/29/339070329.db2.gz KCFVGSXHJMFUMP-KZULUSFZSA-N 1 1 314.791 4.376 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000462824182 339092414 /nfs/dbraw/zinc/09/24/14/339092414.db2.gz CEZLJJVIAFLBIU-UHFFFAOYSA-N 1 1 321.420 4.004 20 30 DIEDMO Cc1nc2ccccc2n1CCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000463111937 339106146 /nfs/dbraw/zinc/10/61/46/339106146.db2.gz HYRONRNOFZVAPD-INIZCTEOSA-N 1 1 324.472 4.139 20 30 DIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463437816 339117715 /nfs/dbraw/zinc/11/77/15/339117715.db2.gz GDADHZLXVUDOLU-CVEARBPZSA-N 1 1 310.363 4.306 20 30 DIEDMO CC#CCCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000464557771 339145109 /nfs/dbraw/zinc/14/51/09/339145109.db2.gz NZCIWXMLOXHRKS-KRWDZBQOSA-N 1 1 312.457 4.051 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729231 339150191 /nfs/dbraw/zinc/15/01/91/339150191.db2.gz ZXWWGNHTZWWUAK-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729231 339150192 /nfs/dbraw/zinc/15/01/92/339150192.db2.gz ZXWWGNHTZWWUAK-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464741292 339150607 /nfs/dbraw/zinc/15/06/07/339150607.db2.gz SUQVFMLHFQKION-DNVCBOLYSA-N 1 1 324.399 4.159 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000464818983 339155402 /nfs/dbraw/zinc/15/54/02/339155402.db2.gz ATJUSFIEMUOKRY-RTWAWAEBSA-N 1 1 320.436 4.227 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000464818983 339155403 /nfs/dbraw/zinc/15/54/03/339155403.db2.gz ATJUSFIEMUOKRY-RTWAWAEBSA-N 1 1 320.436 4.227 20 30 DIEDMO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000466663402 339212318 /nfs/dbraw/zinc/21/23/18/339212318.db2.gz FGGCMDLCWWDERV-GOSISDBHSA-N 1 1 322.537 4.195 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000466709617 339213789 /nfs/dbraw/zinc/21/37/89/339213789.db2.gz FIDUCZUKCBWKJL-SJORKVTESA-N 1 1 324.534 4.083 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000466709615 339213792 /nfs/dbraw/zinc/21/37/92/339213792.db2.gz FIDUCZUKCBWKJL-IAGOWNOFSA-N 1 1 324.534 4.083 20 30 DIEDMO N#CCSCCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000466724723 339214323 /nfs/dbraw/zinc/21/43/23/339214323.db2.gz KZUGCLOFDDWHTG-HXUWFJFHSA-N 1 1 322.477 4.281 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000467162613 339227233 /nfs/dbraw/zinc/22/72/33/339227233.db2.gz ZFOLNWDWAYYQRL-GFCCVEGCSA-N 1 1 305.809 4.349 20 30 DIEDMO C=CCC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000467298027 339230373 /nfs/dbraw/zinc/23/03/73/339230373.db2.gz SLHHRODFJVRHOU-UHFFFAOYSA-N 1 1 305.219 4.005 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000468144274 339255335 /nfs/dbraw/zinc/25/53/35/339255335.db2.gz IVTXPJYGZRPPIQ-SFHVURJKSA-N 1 1 319.452 4.140 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000468266518 339258146 /nfs/dbraw/zinc/25/81/46/339258146.db2.gz OWTZZXGKDOHCHQ-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468288512 339258964 /nfs/dbraw/zinc/25/89/64/339258964.db2.gz KHLKZCKELQWJSQ-MRXNPFEDSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468288512 339258965 /nfs/dbraw/zinc/25/89/65/339258965.db2.gz KHLKZCKELQWJSQ-MRXNPFEDSA-N 1 1 300.402 4.268 20 30 DIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)cc1 ZINC000468778474 339270556 /nfs/dbraw/zinc/27/05/56/339270556.db2.gz BMOXSXQYYWRPTO-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)cc1 ZINC000468778474 339270557 /nfs/dbraw/zinc/27/05/57/339270557.db2.gz BMOXSXQYYWRPTO-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000468777720 339270644 /nfs/dbraw/zinc/27/06/44/339270644.db2.gz BHPTUKZSLKUIHU-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000468777720 339270645 /nfs/dbraw/zinc/27/06/45/339270645.db2.gz BHPTUKZSLKUIHU-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469454549 339290063 /nfs/dbraw/zinc/29/00/63/339290063.db2.gz LKBQTTFOCYOECE-INIZCTEOSA-N 1 1 312.363 4.020 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000469458712 339290171 /nfs/dbraw/zinc/29/01/71/339290171.db2.gz JKBIQCMXFPOYMH-BBRMVZONSA-N 1 1 312.363 4.387 20 30 DIEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000470727538 339326264 /nfs/dbraw/zinc/32/62/64/339326264.db2.gz VCPGZAQIBKZHGS-MRXNPFEDSA-N 1 1 324.262 4.179 20 30 DIEDMO C=CCOCCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000470764364 339327025 /nfs/dbraw/zinc/32/70/25/339327025.db2.gz GRGPXEWEERYDLB-INIZCTEOSA-N 1 1 311.878 4.023 20 30 DIEDMO C=CCOCCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000470790619 339328262 /nfs/dbraw/zinc/32/82/62/339328262.db2.gz UQKXRWJSFSUICY-HNNXBMFYSA-N 1 1 313.363 4.087 20 30 DIEDMO C=C(C)C[N@@H+](CCCOCC(F)(F)F)Cc1ccccc1 ZINC000470905306 339330932 /nfs/dbraw/zinc/33/09/32/339330932.db2.gz FJIAQOCRHZVTJQ-UHFFFAOYSA-N 1 1 301.352 4.034 20 30 DIEDMO C=C(C)C[N@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000470921200 339331200 /nfs/dbraw/zinc/33/12/00/339331200.db2.gz SGULGIQHDMYLKC-UHFFFAOYSA-N 1 1 309.438 4.270 20 30 DIEDMO C=C(C)C[N@@H+](Cc1nc2cccnc2s1)Cc1ccccc1 ZINC000470921200 339331201 /nfs/dbraw/zinc/33/12/01/339331201.db2.gz SGULGIQHDMYLKC-UHFFFAOYSA-N 1 1 309.438 4.270 20 30 DIEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000470955839 339332852 /nfs/dbraw/zinc/33/28/52/339332852.db2.gz OYWAYXJIIXVFRF-OCCSQVGLSA-N 1 1 310.363 4.260 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228104 339366557 /nfs/dbraw/zinc/36/65/57/339366557.db2.gz YNPSWQWXASKPIW-SJORKVTESA-N 1 1 306.494 4.376 20 30 DIEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CCCC(C)(C)C#N ZINC000472439027 339371839 /nfs/dbraw/zinc/37/18/39/339371839.db2.gz SBNCRXDLNVQQMZ-UHFFFAOYSA-N 1 1 308.853 4.371 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 ZINC000473134235 339381996 /nfs/dbraw/zinc/38/19/96/339381996.db2.gz WONNHFMUEUGNIW-UHFFFAOYSA-N 1 1 312.388 4.061 20 30 DIEDMO COc1cccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)c1 ZINC000480884807 339589430 /nfs/dbraw/zinc/58/94/30/339589430.db2.gz YLXKOMLAKZFOSB-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2ncsc2c1 ZINC000485804492 339713146 /nfs/dbraw/zinc/71/31/46/339713146.db2.gz HKXXYEOJDFYAHR-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000499733132 340043700 /nfs/dbraw/zinc/04/37/00/340043700.db2.gz NUBFRDWEZZMEDW-SDXDJHTJSA-N 1 1 312.457 4.122 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000500184744 340052346 /nfs/dbraw/zinc/05/23/46/340052346.db2.gz WMLLYELGHRTASW-FQEVSTJZSA-N 1 1 308.400 4.251 20 30 DIEDMO CSc1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000500231339 340053648 /nfs/dbraw/zinc/05/36/48/340053648.db2.gz MNPIRCXFUKFWBD-LBPRGKRZSA-N 1 1 300.402 4.270 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000501251409 340077217 /nfs/dbraw/zinc/07/72/17/340077217.db2.gz CIIMXQCQVREOGN-GOSISDBHSA-N 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324.399 4.093 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)o1 ZINC000511103738 340320919 /nfs/dbraw/zinc/32/09/19/340320919.db2.gz DQMRQZCTHPFLIZ-CQSZACIVSA-N 1 1 300.789 4.012 20 30 DIEDMO CC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000511486053 340328305 /nfs/dbraw/zinc/32/83/05/340328305.db2.gz AWQPBZCOXXWRAV-UHFFFAOYSA-N 1 1 309.196 4.480 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)c(Cl)c1 ZINC000511486053 340328306 /nfs/dbraw/zinc/32/83/06/340328306.db2.gz AWQPBZCOXXWRAV-UHFFFAOYSA-N 1 1 309.196 4.480 20 30 DIEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000511837138 340339596 /nfs/dbraw/zinc/33/95/96/340339596.db2.gz CMXUVWHIYFHCSO-NJDAHSKKSA-N 1 1 302.421 4.326 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCc2ccccc21 ZINC000512192736 340351762 /nfs/dbraw/zinc/35/17/62/340351762.db2.gz BSTFLKGSOYARHT-HXUWFJFHSA-N 1 1 311.425 4.228 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(F)c(F)c1 ZINC000512202789 340352155 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C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512624041 340369724 /nfs/dbraw/zinc/36/97/24/340369724.db2.gz HLOPRGLBZBJQDM-RYUDHWBXSA-N 1 1 313.332 4.017 20 30 DIEDMO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512629615 340370039 /nfs/dbraw/zinc/37/00/39/340370039.db2.gz JKIGRQVPAOKFCA-NEPJUHHUSA-N 1 1 316.351 4.257 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512636512 340370299 /nfs/dbraw/zinc/37/02/99/340370299.db2.gz LQJLDAALVNCZDT-QWRGUYRKSA-N 1 1 304.315 4.387 20 30 DIEDMO CCCCCN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC000512691216 340373255 /nfs/dbraw/zinc/37/32/55/340373255.db2.gz SHWRUJHXVCURNN-UHFFFAOYSA-N 1 1 317.452 4.188 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256929 341002245 /nfs/dbraw/zinc/00/22/45/341002245.db2.gz CIVFASBJLUPBMR-HOTGVXAUSA-N 1 1 320.436 4.269 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000543139565 341033821 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CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(CC#N)cc1 ZINC000544069442 341069136 /nfs/dbraw/zinc/06/91/36/341069136.db2.gz UDMCMOWLPSKDJD-UHFFFAOYSA-N 1 1 304.846 4.490 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117841 341070781 /nfs/dbraw/zinc/07/07/81/341070781.db2.gz PTAVNGUCFBTVIZ-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000544141554 341071971 /nfs/dbraw/zinc/07/19/71/341071971.db2.gz BUYCGBUSKGTESS-LJQANCHMSA-N 1 1 308.450 4.043 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CC1 ZINC000544599256 341087978 /nfs/dbraw/zinc/08/79/78/341087978.db2.gz YGKIOPJBRYHFND-UHFFFAOYSA-N 1 1 318.420 4.288 20 30 DIEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000074982179 341158620 /nfs/dbraw/zinc/15/86/20/341158620.db2.gz XVOFOSGQRUTDSR-AWEZNQCLSA-N 1 1 302.443 4.463 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(F)c(F)c1 ZINC000547496917 341217851 /nfs/dbraw/zinc/21/78/51/341217851.db2.gz 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C=C(Br)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC001473567196 1054747362 /nfs/dbraw/zinc/74/73/62/1054747362.db2.gz ZGSYKGSIUCZICE-HNNXBMFYSA-N 1 1 312.226 4.131 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)CC2CCC2)cc1 ZINC000577819190 1035651195 /nfs/dbraw/zinc/65/11/95/1035651195.db2.gz XIXOVTTZBWMHHN-UHFFFAOYSA-N 1 1 308.400 4.500 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062671 1035685892 /nfs/dbraw/zinc/68/58/92/1035685892.db2.gz MHYCDFSJMSDODH-XJKSGUPXSA-N 1 1 314.256 4.457 20 30 DIEDMO N#CCCCOc1cccc(CNc2ccc(C3CCC3)c[nH+]2)c1 ZINC000339566816 1035753556 /nfs/dbraw/zinc/75/35/56/1035753556.db2.gz GGXAUBWXJFQYSM-UHFFFAOYSA-N 1 1 321.424 4.644 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccc(F)c(F)c1 ZINC000187370119 1035781191 /nfs/dbraw/zinc/78/11/91/1035781191.db2.gz UNJQEJGSVIQGQM-KRWDZBQOSA-N 1 1 319.399 4.323 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001209157467 1036035878 /nfs/dbraw/zinc/03/58/78/1036035878.db2.gz 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CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000155268622 1036223462 /nfs/dbraw/zinc/22/34/62/1036223462.db2.gz WVNIJUZKGVGNSC-MRXNPFEDSA-N 1 1 306.837 4.043 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCc2ccccc2C1 ZINC001167164139 1036230057 /nfs/dbraw/zinc/23/00/57/1036230057.db2.gz NXOBSRWVVPKWHR-QGZVFWFLSA-N 1 1 310.466 4.389 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc2C1 ZINC001167164078 1036232126 /nfs/dbraw/zinc/23/21/26/1036232126.db2.gz NFTQSVIPWUVWIO-OAQYLSRUSA-N 1 1 304.437 4.328 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167276556 1036359140 /nfs/dbraw/zinc/35/91/40/1036359140.db2.gz PEUCVULHASLDAS-MRXNPFEDSA-N 1 1 310.482 4.064 20 30 DIEDMO COc1ccc([C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2)cc1 ZINC000610270751 1036405234 /nfs/dbraw/zinc/40/52/34/1036405234.db2.gz WFWUSBVOLDLSIJ-FQEVSTJZSA-N 1 1 318.376 4.039 20 30 DIEDMO C=CC[N@H+](CCCCF)Cc1cc(Br)ccc1F ZINC001167291188 1036464239 /nfs/dbraw/zinc/46/42/39/1036464239.db2.gz 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CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599433439 1038284898 /nfs/dbraw/zinc/28/48/98/1038284898.db2.gz GIYVFLACOLEKKK-UHFFFAOYSA-N 1 1 314.473 4.124 20 30 DIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000603837059 1038292782 /nfs/dbraw/zinc/29/27/82/1038292782.db2.gz VFGUVDVNBBKBBO-HNNXBMFYSA-N 1 1 320.392 4.376 20 30 DIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000603895506 1038315203 /nfs/dbraw/zinc/31/52/03/1038315203.db2.gz IGYWGHNXGXRUNA-LJQANCHMSA-N 1 1 308.381 4.270 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599584001 1038317740 /nfs/dbraw/zinc/31/77/40/1038317740.db2.gz UNPAYXPKVBQZDU-HOTGVXAUSA-N 1 1 322.493 4.006 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000535723368 1038321533 /nfs/dbraw/zinc/32/15/33/1038321533.db2.gz KVSSRANEIUNZQN-CVEARBPZSA-N 1 1 302.462 4.425 20 30 DIEDMO C[C@@H](c1nc2ccccc2o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677864 1038333705 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C=CC[C@@H]1[N@@H+](Cc2nccn2CC(F)(F)F)CCCC1(C)C ZINC000277688917 1038700659 /nfs/dbraw/zinc/70/06/59/1038700659.db2.gz GYCBZSKLKUCOSE-ZDUSSCGKSA-N 1 1 315.383 4.012 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nccn2CC(F)(F)F)CCCC1(C)C ZINC000277688917 1038700664 /nfs/dbraw/zinc/70/06/64/1038700664.db2.gz GYCBZSKLKUCOSE-ZDUSSCGKSA-N 1 1 315.383 4.012 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000342750428 1038759491 /nfs/dbraw/zinc/75/94/91/1038759491.db2.gz BSFJDUIPHHKRHQ-UHFFFAOYSA-N 1 1 324.472 4.239 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000342750428 1038759496 /nfs/dbraw/zinc/75/94/96/1038759496.db2.gz BSFJDUIPHHKRHQ-UHFFFAOYSA-N 1 1 324.472 4.239 20 30 DIEDMO N#Cc1ccc(C[N@H+](C[C@H]2CCCCC2(F)F)C2CC2)cc1 ZINC001168423739 1038765153 /nfs/dbraw/zinc/76/51/53/1038765153.db2.gz PUGLVZPUDJWSII-MRXNPFEDSA-N 1 1 304.384 4.348 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342786769 1038781971 /nfs/dbraw/zinc/78/19/71/1038781971.db2.gz 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C=CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)CC1CCCCC1 ZINC000535570525 1039241644 /nfs/dbraw/zinc/24/16/44/1039241644.db2.gz WEVFTWSJNHEFIZ-UHFFFAOYSA-N 1 1 324.472 4.050 20 30 DIEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2)n1C)CC1CCCCC1 ZINC000535570525 1039241652 /nfs/dbraw/zinc/24/16/52/1039241652.db2.gz WEVFTWSJNHEFIZ-UHFFFAOYSA-N 1 1 324.472 4.050 20 30 DIEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000089801880 1039243494 /nfs/dbraw/zinc/24/34/94/1039243494.db2.gz ZKXAPSPQILMMGL-UHFFFAOYSA-N 1 1 312.363 4.396 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@@H+](C)CCC(C)(C)C#N ZINC000539567358 1039291569 /nfs/dbraw/zinc/29/15/69/1039291569.db2.gz MHDHISJVRHONRS-GFCCVEGCSA-N 1 1 309.251 4.382 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@H+](C)CCC(C)(C)C#N ZINC000539567358 1039291561 /nfs/dbraw/zinc/29/15/61/1039291561.db2.gz MHDHISJVRHONRS-GFCCVEGCSA-N 1 1 309.251 4.382 20 30 DIEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1cccc(Br)c1 ZINC000539588722 1039295719 /nfs/dbraw/zinc/29/57/19/1039295719.db2.gz QAQYNEPBIKKRFT-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C[C@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC(C)(C)C#N ZINC000539614730 1039301113 /nfs/dbraw/zinc/30/11/13/1039301113.db2.gz VULYWHIOSQGSIR-LBPRGKRZSA-N 1 1 321.262 4.136 20 30 DIEDMO C[C@H]1Cc2ccc(Br)cc2C[N@H+]1CCC(C)(C)C#N ZINC000539614730 1039301129 /nfs/dbraw/zinc/30/11/29/1039301129.db2.gz VULYWHIOSQGSIR-LBPRGKRZSA-N 1 1 321.262 4.136 20 30 DIEDMO C=CCN(C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000156163629 1039304093 /nfs/dbraw/zinc/30/40/93/1039304093.db2.gz PIHBKJPBOYMRQU-UHFFFAOYSA-N 1 1 315.461 4.101 20 30 DIEDMO Cc1c(C)c(C[N@H+]2CCC[C@H](C#N)CC2)ccc1Br ZINC001233222325 1039335049 /nfs/dbraw/zinc/33/50/49/1039335049.db2.gz OWUMMNNTWSEFOI-AWEZNQCLSA-N 1 1 321.262 4.192 20 30 DIEDMO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000540295806 1039469139 /nfs/dbraw/zinc/46/91/39/1039469139.db2.gz DHXZWAHENGPFEK-AWEZNQCLSA-N 1 1 306.475 4.024 20 30 DIEDMO C=CCCC[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000540539727 1039514925 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DIEDMO CC[N@@H+](CCc1nccs1)Cc1ccccc1C(C)(C)C#N ZINC000159318030 1039652560 /nfs/dbraw/zinc/65/25/60/1039652560.db2.gz UPPGVZNVAGLPMQ-UHFFFAOYSA-N 1 1 313.470 4.009 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000541281250 1039653503 /nfs/dbraw/zinc/65/35/03/1039653503.db2.gz DPUMWEXNKIHXOG-FQEVSTJZSA-N 1 1 308.400 4.099 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314659 1039663070 /nfs/dbraw/zinc/66/30/70/1039663070.db2.gz IFFWIOYVEQMTBO-KKSFZXQISA-N 1 1 320.436 4.344 20 30 DIEDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC#N)c1 ZINC000541331134 1039669082 /nfs/dbraw/zinc/66/90/82/1039669082.db2.gz YCRDAEHIYDTSII-UXHICEINSA-N 1 1 306.409 4.139 20 30 DIEDMO COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CCC#N)c1 ZINC000541331134 1039669087 /nfs/dbraw/zinc/66/90/87/1039669087.db2.gz YCRDAEHIYDTSII-UXHICEINSA-N 1 1 306.409 4.139 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000541349890 1039671037 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C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cc(F)cc2cccnc21 ZINC000030209635 1039872283 /nfs/dbraw/zinc/87/22/83/1039872283.db2.gz BAHGQFFPDHUSDS-UHFFFAOYSA-N 1 1 323.346 4.017 20 30 DIEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C(F)(F)F)c1 ZINC001143455921 1039945433 /nfs/dbraw/zinc/94/54/33/1039945433.db2.gz ZWYVBXAIODPOBO-DVSIDAKKSA-N 1 1 308.347 4.280 20 30 DIEDMO C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000492329141 1039952204 /nfs/dbraw/zinc/95/22/04/1039952204.db2.gz LILUBLLKBSNGKO-NLWGTHIKSA-N 1 1 300.490 4.231 20 30 DIEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000198226336 1039971476 /nfs/dbraw/zinc/97/14/76/1039971476.db2.gz OCLSWIHPLBZOPM-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000198226336 1039971494 /nfs/dbraw/zinc/97/14/94/1039971494.db2.gz OCLSWIHPLBZOPM-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000175438337 1040033473 /nfs/dbraw/zinc/03/34/73/1040033473.db2.gz VJQLJSCXKQKZDB-UONOGXRCSA-N 1 1 310.894 4.411 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177313504 1040118153 /nfs/dbraw/zinc/11/81/53/1040118153.db2.gz SZKHHRSZQOWYNU-NRFANRHFSA-N 1 1 324.443 4.155 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000177905698 1040144923 /nfs/dbraw/zinc/14/49/23/1040144923.db2.gz ZYNNOOMQNLETLX-LBPRGKRZSA-N 1 1 313.272 4.294 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C[C@H]1CC=CCC1 ZINC000612144816 1040451776 /nfs/dbraw/zinc/45/17/76/1040451776.db2.gz TZZDAVJFXLUKEJ-ZDUSSCGKSA-N 1 1 319.246 4.109 20 30 DIEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000612163393 1040465359 /nfs/dbraw/zinc/46/53/59/1040465359.db2.gz UGGMSDJADZDIHR-NRFANRHFSA-N 1 1 315.420 4.351 20 30 DIEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000612163393 1040465371 /nfs/dbraw/zinc/46/53/71/1040465371.db2.gz UGGMSDJADZDIHR-NRFANRHFSA-N 1 1 315.420 4.351 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OC(F)F)cc1 ZINC000179613433 1040512291 /nfs/dbraw/zinc/51/22/91/1040512291.db2.gz OZGQOKBRFABDAG-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)c1 ZINC000179679484 1040523604 /nfs/dbraw/zinc/52/36/04/1040523604.db2.gz UFTUDLQYPGGERC-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO CC[C@H](C)[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000179695176 1040527180 /nfs/dbraw/zinc/52/71/80/1040527180.db2.gz NJNCIGJJGFRZIG-INIZCTEOSA-N 1 1 318.424 4.007 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000364738258 1040561302 /nfs/dbraw/zinc/56/13/02/1040561302.db2.gz HZZYPNBKAOVFMW-IBGZPJMESA-N 1 1 320.440 4.037 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1csc(C(C)C)n1 ZINC000065959491 1040627018 /nfs/dbraw/zinc/62/70/18/1040627018.db2.gz NWLKHDIHQWGSBB-UHFFFAOYSA-N 1 1 300.471 4.497 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1csc(C(C)C)n1 ZINC000065959491 1040627027 /nfs/dbraw/zinc/62/70/27/1040627027.db2.gz NWLKHDIHQWGSBB-UHFFFAOYSA-N 1 1 300.471 4.497 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000612588288 1040650230 /nfs/dbraw/zinc/65/02/30/1040650230.db2.gz ZAHSQPKXSVTGNV-UHFFFAOYSA-N 1 1 312.388 4.044 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000581912119 1040897042 /nfs/dbraw/zinc/89/70/42/1040897042.db2.gz XTPUZLLNSINIOU-LJQANCHMSA-N 1 1 322.456 4.324 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000581912118 1040897629 /nfs/dbraw/zinc/89/76/29/1040897629.db2.gz XTPUZLLNSINIOU-IBGZPJMESA-N 1 1 322.456 4.324 20 30 DIEDMO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000414141968 1040914909 /nfs/dbraw/zinc/91/49/09/1040914909.db2.gz IPQSMPNCMTWYPJ-KBPBESRZSA-N 1 1 312.388 4.426 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCC2)c1ccc(C#N)c(F)c1 ZINC000414157120 1040938465 /nfs/dbraw/zinc/93/84/65/1040938465.db2.gz RFGLMGQOYYTBJA-MNOVXSKESA-N 1 1 315.417 4.054 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000452025390 1041042710 /nfs/dbraw/zinc/04/27/10/1041042710.db2.gz ZUEHKSJMKKDGEP-SAABIXHNSA-N 1 1 324.399 4.084 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(OC(F)(F)F)c1 ZINC001143468072 1041045333 /nfs/dbraw/zinc/04/53/33/1041045333.db2.gz AVHMLMSLKUKTOC-ZDUSSCGKSA-N 1 1 312.335 4.019 20 30 DIEDMO C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000766844176 1041108033 /nfs/dbraw/zinc/10/80/33/1041108033.db2.gz OOKOLWGOWCVMPT-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000809539823 1041184843 /nfs/dbraw/zinc/18/48/43/1041184843.db2.gz BDTHECFFYSBCGE-AWEZNQCLSA-N 1 1 306.434 4.471 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000809539823 1041184852 /nfs/dbraw/zinc/18/48/52/1041184852.db2.gz BDTHECFFYSBCGE-AWEZNQCLSA-N 1 1 306.434 4.471 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(Cl)cc1F ZINC000809699314 1041219421 /nfs/dbraw/zinc/21/94/21/1041219421.db2.gz PVAIDIZNQYSCOX-QGZVFWFLSA-N 1 1 317.791 4.266 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000809781967 1041254025 /nfs/dbraw/zinc/25/40/25/1041254025.db2.gz FPHTWJNCXGTGJV-UHFFFAOYSA-N 1 1 307.384 4.098 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(Br)c1 ZINC000480718509 1041381145 /nfs/dbraw/zinc/38/11/45/1041381145.db2.gz PXPVHBLIYVCRIA-INIZCTEOSA-N 1 1 319.246 4.085 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000810495786 1041394922 /nfs/dbraw/zinc/39/49/22/1041394922.db2.gz JBOZMZNTELDMNW-KRWDZBQOSA-N 1 1 319.493 4.011 20 30 DIEDMO COc1cc(C[N@@H+](C)CCCC#N)ccc1OCc1ccccc1 ZINC000053150076 1041430499 /nfs/dbraw/zinc/43/04/99/1041430499.db2.gz NMMDEDZAIXQZNP-UHFFFAOYSA-N 1 1 324.424 4.010 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000747674904 1041484423 /nfs/dbraw/zinc/48/44/23/1041484423.db2.gz HJMQZVQYCOBAPM-CQSZACIVSA-N 1 1 319.246 4.256 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000747674904 1041484415 /nfs/dbraw/zinc/48/44/15/1041484415.db2.gz HJMQZVQYCOBAPM-CQSZACIVSA-N 1 1 319.246 4.256 20 30 DIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811496829 1041526162 /nfs/dbraw/zinc/52/61/62/1041526162.db2.gz NDYNOCGSIKETNN-CQSZACIVSA-N 1 1 318.207 4.037 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(Cl)c1)c1ccc(Cl)cc1 ZINC000811516084 1041528693 /nfs/dbraw/zinc/52/86/93/1041528693.db2.gz DNBYWGKOIINDAN-MRXNPFEDSA-N 1 1 320.219 4.466 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000811516936 1041530121 /nfs/dbraw/zinc/53/01/21/1041530121.db2.gz YWQKEAATCSMZGM-QGZVFWFLSA-N 1 1 314.772 4.021 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000811516946 1041530610 /nfs/dbraw/zinc/53/06/10/1041530610.db2.gz ZMDLFCPGCOSKQN-SFHVURJKSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(Cl)cc1 ZINC000811517642 1041531261 /nfs/dbraw/zinc/53/12/61/1041531261.db2.gz YCVRMFXSOKYIOO-INIZCTEOSA-N 1 1 321.754 4.406 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637802 1041538734 /nfs/dbraw/zinc/53/87/34/1041538734.db2.gz CXDDQXWRARFMAZ-LZJOCLMNSA-N 1 1 320.436 4.355 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650702 1041584606 /nfs/dbraw/zinc/58/46/06/1041584606.db2.gz PPZNYIPKZOQUME-ZRGWGRIASA-N 1 1 308.400 4.464 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925566311 1041622068 /nfs/dbraw/zinc/62/20/68/1041622068.db2.gz ATYIZSYVDGBCAJ-KSSFIOAISA-N 1 1 312.413 4.296 20 30 DIEDMO C=CCCCCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812778826 1041647221 /nfs/dbraw/zinc/64/72/21/1041647221.db2.gz PHYXAECRIJSGLK-XLIONFOSSA-N 1 1 316.489 4.190 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000812793222 1041651052 /nfs/dbraw/zinc/65/10/52/1041651052.db2.gz PHXQYBMLOQTLQQ-MRXNPFEDSA-N 1 1 318.189 4.052 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)s1 ZINC000312751873 1041777308 /nfs/dbraw/zinc/77/73/08/1041777308.db2.gz BBSXLVGMFYSYSZ-UHFFFAOYSA-N 1 1 303.239 4.278 20 30 DIEDMO CCCCCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000814162186 1041782088 /nfs/dbraw/zinc/78/20/88/1041782088.db2.gz QMZIZQRFECSFBT-QGZVFWFLSA-N 1 1 308.510 4.070 20 30 DIEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NOCCC2CC2)CC1 ZINC000814245188 1041796975 /nfs/dbraw/zinc/79/69/75/1041796975.db2.gz KZGRVPOHRMHXBM-UHFFFAOYSA-N 1 1 300.446 4.234 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CCC1 ZINC001167765563 1041816278 /nfs/dbraw/zinc/81/62/78/1041816278.db2.gz GAPMHZWNDWHZKD-LJQANCHMSA-N 1 1 311.473 4.427 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(SC)c1 ZINC000660539582 1041829870 /nfs/dbraw/zinc/82/98/70/1041829870.db2.gz VBNKLCINRJYIQH-UHFFFAOYSA-N 1 1 317.454 4.072 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(SC)c1 ZINC000660539582 1041829874 /nfs/dbraw/zinc/82/98/74/1041829874.db2.gz VBNKLCINRJYIQH-UHFFFAOYSA-N 1 1 317.454 4.072 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000217087870 1041841352 /nfs/dbraw/zinc/84/13/52/1041841352.db2.gz SGSLFOKLOJKLLG-IBGZPJMESA-N 1 1 308.425 4.264 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000217087870 1041841360 /nfs/dbraw/zinc/84/13/60/1041841360.db2.gz SGSLFOKLOJKLLG-IBGZPJMESA-N 1 1 308.425 4.264 20 30 DIEDMO CC(=NNc1nc2ccccc2s1)c1ccc(C[NH+](C)C)cc1 ZINC000814685258 1041848904 /nfs/dbraw/zinc/84/89/04/1041848904.db2.gz OTMBRQOGTNOXDT-UHFFFAOYSA-N 1 1 324.453 4.194 20 30 DIEDMO CC(=[NH+][N-]c1nc2ccccc2s1)c1ccc(C[NH+](C)C)cc1 ZINC000814685258 1041848909 /nfs/dbraw/zinc/84/89/09/1041848909.db2.gz OTMBRQOGTNOXDT-UHFFFAOYSA-N 1 1 324.453 4.194 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381018 1041928235 /nfs/dbraw/zinc/92/82/35/1041928235.db2.gz SXRLDILULXFKRQ-WBVHZDCISA-N 1 1 311.429 4.010 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815201361 1041933317 /nfs/dbraw/zinc/93/33/17/1041933317.db2.gz LHRQXWOKKOQRGY-SJORKVTESA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC(F)(F)C(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000815342485 1041947726 /nfs/dbraw/zinc/94/77/26/1041947726.db2.gz WJEXIHIJOAVMHK-UHFFFAOYSA-N 1 1 322.399 4.198 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650033 1041984103 /nfs/dbraw/zinc/98/41/03/1041984103.db2.gz GKJBNFKXENTFOZ-GOSISDBHSA-N 1 1 316.326 4.143 20 30 DIEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C(C)(C)C ZINC000661755518 1041990511 /nfs/dbraw/zinc/99/05/11/1041990511.db2.gz SJBHVZWGUCLJBL-UHFFFAOYSA-N 1 1 302.462 4.309 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000596981168 1041998787 /nfs/dbraw/zinc/99/87/87/1041998787.db2.gz IXBKQLBBSRIJND-IBGZPJMESA-N 1 1 302.421 4.231 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCOc2ccccc2)cc1 ZINC001170812010 1042026548 /nfs/dbraw/zinc/02/65/48/1042026548.db2.gz NSSQHNADMRKYMK-FQEVSTJZSA-N 1 1 308.425 4.458 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ccccc2c1O ZINC000816485355 1042055914 /nfs/dbraw/zinc/05/59/14/1042055914.db2.gz JRTOHPGYNHSDQI-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@@H+](CCC#N)CC(C)C ZINC000816481186 1042056647 /nfs/dbraw/zinc/05/66/47/1042056647.db2.gz LWEIOAOZQLCIAB-ATVHPVEESA-N 1 1 300.446 4.108 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCc2cccnc2)cc1 ZINC000662083773 1042059399 /nfs/dbraw/zinc/05/93/99/1042059399.db2.gz KCGGBXYIQDZABC-BGYRXZFFSA-N 1 1 320.436 4.344 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2c(F)cccc2F)n1 ZINC000662088015 1042060334 /nfs/dbraw/zinc/06/03/34/1042060334.db2.gz SVUUPDXGDKWTPM-OKILXGFUSA-N 1 1 316.351 4.303 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816550747 1042064644 /nfs/dbraw/zinc/06/46/44/1042064644.db2.gz ARSBRKJEFQJRRQ-UHFFFAOYSA-N 1 1 321.779 4.039 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816558059 1042067426 /nfs/dbraw/zinc/06/74/26/1042067426.db2.gz LUDLEQYPVBUPNC-MRXNPFEDSA-N 1 1 318.779 4.319 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816558785 1042069080 /nfs/dbraw/zinc/06/90/80/1042069080.db2.gz LKNHDHCJAMBVIX-INIZCTEOSA-N 1 1 303.764 4.039 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935070 1042192495 /nfs/dbraw/zinc/19/24/95/1042192495.db2.gz GKBQEWGQYBJTBF-QGZVFWFLSA-N 1 1 310.828 4.201 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@H+](Cc1ccnc(C#N)c1)CC(C)C ZINC000585754780 1042242758 /nfs/dbraw/zinc/24/27/58/1042242758.db2.gz KFRBDCFYHHMDQC-KRWDZBQOSA-N 1 1 307.441 4.481 20 30 DIEDMO C=CCCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000605150430 1042256692 /nfs/dbraw/zinc/25/66/92/1042256692.db2.gz ZMGLVFRHFDJMNC-UHFFFAOYSA-N 1 1 302.393 4.311 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525429 1042288542 /nfs/dbraw/zinc/28/85/42/1042288542.db2.gz GQODFAGBKFWFMB-HZPDHXFCSA-N 1 1 319.408 4.042 20 30 DIEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1cccc(C#N)c1 ZINC000822593140 1042294827 /nfs/dbraw/zinc/29/48/27/1042294827.db2.gz SFBHONBFJZHQNP-HNNXBMFYSA-N 1 1 309.240 4.130 20 30 DIEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)c(O)c(C(C)(C)C)c1 ZINC000728904476 1042311314 /nfs/dbraw/zinc/31/13/14/1042311314.db2.gz IOVIPWZQPAHMNW-UHFFFAOYSA-N 1 1 300.446 4.124 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001171019352 1042329593 /nfs/dbraw/zinc/32/95/93/1042329593.db2.gz VIAPMLZYUCRIQJ-WOJBJXKFSA-N 1 1 320.436 4.335 20 30 DIEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000823643772 1042336630 /nfs/dbraw/zinc/33/66/30/1042336630.db2.gz RUTFNAVZMPLZCW-UXHICEINSA-N 1 1 320.436 4.065 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000015299443 1042362270 /nfs/dbraw/zinc/36/22/70/1042362270.db2.gz OBLFZLWMNYYJON-UHFFFAOYSA-N 1 1 308.406 4.415 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000015299443 1042362276 /nfs/dbraw/zinc/36/22/76/1042362276.db2.gz OBLFZLWMNYYJON-UHFFFAOYSA-N 1 1 308.406 4.415 20 30 DIEDMO COc1ccc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000015370237 1042373119 /nfs/dbraw/zinc/37/31/19/1042373119.db2.gz WAVRQHRGZKUCMT-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573645146 1042412065 /nfs/dbraw/zinc/41/20/65/1042412065.db2.gz DBBMNRRYRGFCQQ-NBVRZTHBSA-N 1 1 320.436 4.110 20 30 DIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000614159939 1042417881 /nfs/dbraw/zinc/41/78/81/1042417881.db2.gz GSRLBUZQOVFIAQ-UHFFFAOYSA-N 1 1 323.396 4.028 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000614159939 1042417885 /nfs/dbraw/zinc/41/78/85/1042417885.db2.gz GSRLBUZQOVFIAQ-UHFFFAOYSA-N 1 1 323.396 4.028 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000614171347 1042421374 /nfs/dbraw/zinc/42/13/74/1042421374.db2.gz LETNWMNWNYACCC-IBGZPJMESA-N 1 1 305.425 4.220 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1cc(-c2ccco2)on1)c1ccccc1 ZINC000411757106 1042461879 /nfs/dbraw/zinc/46/18/79/1042461879.db2.gz LQUPAOFLYBJEBF-QGZVFWFLSA-N 1 1 321.380 4.459 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000614402252 1042491569 /nfs/dbraw/zinc/49/15/69/1042491569.db2.gz OHKICWLYEWOUBT-UWJYYQICSA-N 1 1 320.436 4.137 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888813 1042496781 /nfs/dbraw/zinc/49/67/81/1042496781.db2.gz MXVLDTJJFJYFSI-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267319 1042517062 /nfs/dbraw/zinc/51/70/62/1042517062.db2.gz QZBPXWGROWEQSQ-HXUWFJFHSA-N 1 1 306.409 4.235 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000729267122 1042517167 /nfs/dbraw/zinc/51/71/67/1042517167.db2.gz JTEIPULRUPXPNB-QGZVFWFLSA-N 1 1 312.438 4.160 20 30 DIEDMO COc1cc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC000614493342 1042554905 /nfs/dbraw/zinc/55/49/05/1042554905.db2.gz OISMSWRPSMQDTI-MRXNPFEDSA-N 1 1 308.425 4.377 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2cnccc21 ZINC000183175177 1042576158 /nfs/dbraw/zinc/57/61/58/1042576158.db2.gz CGOBLZKVIFXARO-UHFFFAOYSA-N 1 1 313.404 4.295 20 30 DIEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000420935798 1042615543 /nfs/dbraw/zinc/61/55/43/1042615543.db2.gz YNOQROHAYACVMB-HZPDHXFCSA-N 1 1 322.493 4.149 20 30 DIEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000421007537 1042619923 /nfs/dbraw/zinc/61/99/23/1042619923.db2.gz HNRFRMRTTUOFNT-JKSUJKDBSA-N 1 1 322.493 4.006 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC000420974993 1042620111 /nfs/dbraw/zinc/62/01/11/1042620111.db2.gz OXXBKULAMDFDOS-OAHLLOKOSA-N 1 1 321.262 4.150 20 30 DIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000423244285 1042702007 /nfs/dbraw/zinc/70/20/07/1042702007.db2.gz NSNFXJXNRYFZBL-YWZLYKJASA-N 1 1 307.441 4.032 20 30 DIEDMO Cc1cc(F)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000424170901 1042728285 /nfs/dbraw/zinc/72/82/85/1042728285.db2.gz LGFJHTAUOICFMT-LJQANCHMSA-N 1 1 312.363 4.312 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924984251 1042781480 /nfs/dbraw/zinc/78/14/80/1042781480.db2.gz QGOSSARCLRSDDS-LLVKDONJSA-N 1 1 318.408 4.068 20 30 DIEDMO Cc1cc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276166 1042787231 /nfs/dbraw/zinc/78/72/31/1042787231.db2.gz DBCXKACALUONLN-SFHVURJKSA-N 1 1 323.465 4.018 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1Cl)Cc1ccc(C#N)cc1 ZINC000514696397 1042787536 /nfs/dbraw/zinc/78/75/36/1042787536.db2.gz JIJIYXNQSPNCJR-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367006 1042798542 /nfs/dbraw/zinc/79/85/42/1042798542.db2.gz RKKPOIOMXWLHRM-OAHLLOKOSA-N 1 1 324.472 4.320 20 30 DIEDMO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001269961080 1042802321 /nfs/dbraw/zinc/80/23/21/1042802321.db2.gz UENWJGWMLQFOKR-XWSJACJDSA-N 1 1 320.521 4.090 20 30 DIEDMO CCC[N@@H+](CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000515410997 1042819049 /nfs/dbraw/zinc/81/90/49/1042819049.db2.gz YHFIZGDODFAKFJ-UHFFFAOYSA-N 1 1 308.425 4.239 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(F)c1 ZINC000515511598 1042823608 /nfs/dbraw/zinc/82/36/08/1042823608.db2.gz OJWOQIOZXJIQGQ-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC000515744487 1042833635 /nfs/dbraw/zinc/83/36/35/1042833635.db2.gz KAEIIMURWTXRTQ-HXUWFJFHSA-N 1 1 306.409 4.083 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1OC1CC1 ZINC000425535637 1042838372 /nfs/dbraw/zinc/83/83/72/1042838372.db2.gz NQWRGOBELKLWPT-OAHLLOKOSA-N 1 1 306.409 4.292 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516185952 1042843145 /nfs/dbraw/zinc/84/31/45/1042843145.db2.gz RWDKKQNSPKVDMO-GOSISDBHSA-N 1 1 321.380 4.112 20 30 DIEDMO CCCCCCCCC(=O)N1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001270164259 1042847325 /nfs/dbraw/zinc/84/73/25/1042847325.db2.gz SMURBFKFXBDALR-UHFFFAOYSA-N 1 1 308.510 4.071 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](C)Cc1ccsc1 ZINC000425922208 1042875106 /nfs/dbraw/zinc/87/51/06/1042875106.db2.gz QUXYPPALKZIEOO-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000519187040 1042937791 /nfs/dbraw/zinc/93/77/91/1042937791.db2.gz ILYSQCALXMRVLG-OAHLLOKOSA-N 1 1 308.347 4.113 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000519187040 1042937794 /nfs/dbraw/zinc/93/77/94/1042937794.db2.gz ILYSQCALXMRVLG-OAHLLOKOSA-N 1 1 308.347 4.113 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc(F)c(F)c1 ZINC000519586527 1042980786 /nfs/dbraw/zinc/98/07/86/1042980786.db2.gz YMKKRYQTDKSHDI-LJQANCHMSA-N 1 1 314.379 4.256 20 30 DIEDMO COc1cc(C[N@@H+]([C@@H](C)c2ccccc2)C2CC2)ccc1C#N ZINC000519790859 1043002169 /nfs/dbraw/zinc/00/21/69/1043002169.db2.gz PQDSQDQAOTVTQP-HNNXBMFYSA-N 1 1 306.409 4.292 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441142469 1043023278 /nfs/dbraw/zinc/02/32/78/1043023278.db2.gz FXESBFQLULEKRF-ZDUSSCGKSA-N 1 1 318.873 4.458 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CC#Cc2ccccc2Cl)s1 ZINC000441142469 1043023282 /nfs/dbraw/zinc/02/32/82/1043023282.db2.gz FXESBFQLULEKRF-ZDUSSCGKSA-N 1 1 318.873 4.458 20 30 DIEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000520421695 1043045172 /nfs/dbraw/zinc/04/51/72/1043045172.db2.gz DUHRBJFAZBLVRE-UHFFFAOYSA-N 1 1 319.880 4.100 20 30 DIEDMO CCc1nc2cc(NC(=O)CC[N@H+]3CCCC[C@H]3C)ccc2o1 ZINC000328794481 1043079331 /nfs/dbraw/zinc/07/93/31/1043079331.db2.gz SMFVQSVXEGISSH-CYBMUJFWSA-N 1 1 315.417 4.243 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000328794805 1043079812 /nfs/dbraw/zinc/07/98/12/1043079812.db2.gz SQMXMCICIKCOHY-CYBMUJFWSA-N 1 1 315.417 4.073 20 30 DIEDMO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463543 1043147372 /nfs/dbraw/zinc/14/73/72/1043147372.db2.gz NVAYRLCQESNEHQ-HNNXBMFYSA-N 1 1 321.424 4.100 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OCc2csc(C)n2)cc1)C1CC1 ZINC000350267015 1043155553 /nfs/dbraw/zinc/15/55/53/1043155553.db2.gz NJBPFBUVQNWFSH-UHFFFAOYSA-N 1 1 314.454 4.181 20 30 DIEDMO COCC1=CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000185884903 1043208391 /nfs/dbraw/zinc/20/83/91/1043208391.db2.gz GHLWGAPMICSDLD-UHFFFAOYSA-N 1 1 318.420 4.004 20 30 DIEDMO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000866597244 1043229994 /nfs/dbraw/zinc/22/99/94/1043229994.db2.gz ZWWDTBQBENRTJS-UGSOOPFHSA-N 1 1 316.351 4.089 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cn1cc(-c2ccccc2)cn1 ZINC000195724894 1043283798 /nfs/dbraw/zinc/28/37/98/1043283798.db2.gz MXHARGDDJDABAI-UHFFFAOYSA-N 1 1 303.409 4.196 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cn1cc(-c2ccccc2)cn1 ZINC000195724894 1043283812 /nfs/dbraw/zinc/28/38/12/1043283812.db2.gz MXHARGDDJDABAI-UHFFFAOYSA-N 1 1 303.409 4.196 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000266860720 1043302032 /nfs/dbraw/zinc/30/20/32/1043302032.db2.gz JRMJWWKPUDUPCZ-GOSISDBHSA-N 1 1 312.800 4.189 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000266860720 1043302044 /nfs/dbraw/zinc/30/20/44/1043302044.db2.gz JRMJWWKPUDUPCZ-GOSISDBHSA-N 1 1 312.800 4.189 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000427895025 1043313645 /nfs/dbraw/zinc/31/36/45/1043313645.db2.gz RRGGNRANRMAEHG-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(CF)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000777561452 1043424198 /nfs/dbraw/zinc/42/41/98/1043424198.db2.gz KQMDBJZGYUIEBL-UHFFFAOYSA-N 1 1 314.360 4.253 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccccc2F)C(C)C)ccc1C#N ZINC000442793525 1043424822 /nfs/dbraw/zinc/42/48/22/1043424822.db2.gz BIYWQENRNVATJK-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2C)ccc1C#N ZINC000442809806 1043428252 /nfs/dbraw/zinc/42/82/52/1043428252.db2.gz LPPJUCFUMMGERV-LJQANCHMSA-N 1 1 306.409 4.212 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(C2CCC2)c1 ZINC000925601575 1043435314 /nfs/dbraw/zinc/43/53/14/1043435314.db2.gz LWSLEPRTOKOHCZ-HNAYVOBHSA-N 1 1 308.429 4.304 20 30 DIEDMO N#CCC[C@H]([NH2+][C@@H]1CCc2c1nccc2Cl)c1ccccc1 ZINC000925600116 1043435383 /nfs/dbraw/zinc/43/53/83/1043435383.db2.gz FGKCHPRNDPORAN-DLBZAZTESA-N 1 1 311.816 4.357 20 30 DIEDMO N#CCC[C@@H]([NH2+][C@H]1CCc2c1nccc2Cl)c1ccccc1 ZINC000925600119 1043435485 /nfs/dbraw/zinc/43/54/85/1043435485.db2.gz FGKCHPRNDPORAN-SJORKVTESA-N 1 1 311.816 4.357 20 30 DIEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(C2CCC2)c1 ZINC000925601574 1043436530 /nfs/dbraw/zinc/43/65/30/1043436530.db2.gz LWSLEPRTOKOHCZ-DNVCBOLYSA-N 1 1 308.429 4.304 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(CC#N)cc1 ZINC000442863807 1043438672 /nfs/dbraw/zinc/43/86/72/1043438672.db2.gz ASRCNJRRCFVFKJ-UHFFFAOYSA-N 1 1 303.409 4.256 20 30 DIEDMO C=CCCOCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925632273 1043441324 /nfs/dbraw/zinc/44/13/24/1043441324.db2.gz QJWZWKGKVZOUFV-FQEVSTJZSA-N 1 1 322.408 4.100 20 30 DIEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCCC1 ZINC000558133544 1043445678 /nfs/dbraw/zinc/44/56/78/1043445678.db2.gz RVZUAHRSONHNPC-UHFFFAOYSA-N 1 1 307.526 4.293 20 30 DIEDMO CC(C)N(CCCCC(C)(C)C#N)CC[NH+]1CCCCCC1 ZINC000558133544 1043445681 /nfs/dbraw/zinc/44/56/81/1043445681.db2.gz RVZUAHRSONHNPC-UHFFFAOYSA-N 1 1 307.526 4.293 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cccc(C#N)c1F ZINC000442880009 1043448613 /nfs/dbraw/zinc/44/86/13/1043448613.db2.gz CLJBFMAHDQAQOV-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1cccc(O)c1 ZINC000348526282 1043457236 /nfs/dbraw/zinc/45/72/36/1043457236.db2.gz SOLLUDRIAMCVPN-OAHLLOKOSA-N 1 1 319.408 4.100 20 30 DIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H](C)c1cccc(O)c1 ZINC000348526282 1043457242 /nfs/dbraw/zinc/45/72/42/1043457242.db2.gz SOLLUDRIAMCVPN-OAHLLOKOSA-N 1 1 319.408 4.100 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000349195609 1043496280 /nfs/dbraw/zinc/49/62/80/1043496280.db2.gz 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C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295139 1044153324 /nfs/dbraw/zinc/15/33/24/1044153324.db2.gz OIOHBLHMDXRJLI-FXAWDEMLSA-N 1 1 312.457 4.381 20 30 DIEDMO CC[N@@H+](Cc1cn(C(C)C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000281685053 1044179858 /nfs/dbraw/zinc/17/98/58/1044179858.db2.gz RTQDSMFCFWJELK-INIZCTEOSA-N 1 1 310.445 4.227 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000130145250 1044194320 /nfs/dbraw/zinc/19/43/20/1044194320.db2.gz LNNPUVFXXYLXBW-HNNXBMFYSA-N 1 1 324.399 4.281 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ncccc1C)C(C)(C)C ZINC000934290444 1044235879 /nfs/dbraw/zinc/23/58/79/1044235879.db2.gz FTWZYNNHMWLPND-IBGZPJMESA-N 1 1 323.440 4.147 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)nc1 ZINC000934341382 1044240050 /nfs/dbraw/zinc/24/00/50/1044240050.db2.gz JVFXRFSEYLGWRP-GOSISDBHSA-N 1 1 313.445 4.091 20 30 DIEDMO CCc1nc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cs1 ZINC000360840050 1044317223 /nfs/dbraw/zinc/31/72/23/1044317223.db2.gz KSZLQHQWOUMOLJ-QGZVFWFLSA-N 1 1 311.454 4.134 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000475272464 1044340452 /nfs/dbraw/zinc/34/04/52/1044340452.db2.gz BTBOSWJOEIXWKN-UHFFFAOYSA-N 1 1 308.425 4.223 20 30 DIEDMO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475288073 1044347149 /nfs/dbraw/zinc/34/71/49/1044347149.db2.gz QUARZUWJDDXTDG-PMACEKPBSA-N 1 1 300.490 4.233 20 30 DIEDMO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000475288076 1044347465 /nfs/dbraw/zinc/34/74/65/1044347465.db2.gz QUARZUWJDDXTDG-VQTJNVASSA-N 1 1 300.490 4.233 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000361181915 1044370325 /nfs/dbraw/zinc/37/03/25/1044370325.db2.gz SQFWNAPPTCQQRV-BDJLRTHQSA-N 1 1 314.335 4.011 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000361294616 1044385017 /nfs/dbraw/zinc/38/50/17/1044385017.db2.gz AMVROZWBIFTOHR-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(C(F)(F)F)c1 ZINC000361294616 1044385029 /nfs/dbraw/zinc/38/50/29/1044385029.db2.gz AMVROZWBIFTOHR-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)no1 ZINC000361288488 1044386599 /nfs/dbraw/zinc/38/65/99/1044386599.db2.gz PNEIFCXGWDFHQY-GOSISDBHSA-N 1 1 309.413 4.121 20 30 DIEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)no1 ZINC000361288488 1044386613 /nfs/dbraw/zinc/38/66/13/1044386613.db2.gz PNEIFCXGWDFHQY-GOSISDBHSA-N 1 1 309.413 4.121 20 30 DIEDMO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000564600116 1044393450 /nfs/dbraw/zinc/39/34/50/1044393450.db2.gz WIWLQGDJNPHYOJ-ZFWWWQNUSA-N 1 1 324.453 4.213 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000121275642 1044394607 /nfs/dbraw/zinc/39/46/07/1044394607.db2.gz FNNRWURDNKURJS-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)nc1 ZINC000565458033 1044436989 /nfs/dbraw/zinc/43/69/89/1044436989.db2.gz LWZSUGACCQSOHY-BUVUWQSRSA-N 1 1 317.436 4.411 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000121349503 1044439475 /nfs/dbraw/zinc/43/94/75/1044439475.db2.gz JUVZQAMXGPYIOE-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000121349503 1044439481 /nfs/dbraw/zinc/43/94/81/1044439481.db2.gz JUVZQAMXGPYIOE-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO CSc1ccccc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000348304411 1044467207 /nfs/dbraw/zinc/46/72/07/1044467207.db2.gz HOQHWKBRBRRFMG-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO CSc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000348304411 1044467212 /nfs/dbraw/zinc/46/72/12/1044467212.db2.gz HOQHWKBRBRRFMG-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)c1 ZINC000566077692 1044475067 /nfs/dbraw/zinc/47/50/67/1044475067.db2.gz SUVCNQSXFGUNMM-GOSISDBHSA-N 1 1 314.473 4.422 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnccc2C)cc1Cl ZINC000475567657 1044509531 /nfs/dbraw/zinc/50/95/31/1044509531.db2.gz LJYAINJCRFGCPN-UHFFFAOYSA-N 1 1 316.832 4.240 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1Cl ZINC000475572184 1044516351 /nfs/dbraw/zinc/51/63/51/1044516351.db2.gz OLODAGMXIUIODJ-GOSISDBHSA-N 1 1 323.864 4.296 20 30 DIEDMO Cc1cc(C[N@H+](C)Cc2nc3ccccc3s2)ccc1C#N ZINC000362961763 1044568238 /nfs/dbraw/zinc/56/82/38/1044568238.db2.gz YSYLUYYBJJQUOP-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)ccc1C#N ZINC000362961763 1044568252 /nfs/dbraw/zinc/56/82/52/1044568252.db2.gz YSYLUYYBJJQUOP-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960352 1044569031 /nfs/dbraw/zinc/56/90/31/1044569031.db2.gz MLKYOZGHZHVVBJ-WMLDXEAASA-N 1 1 324.428 4.009 20 30 DIEDMO C=CC[N@H+](CCCCC(C)(C)C#N)Cc1cccc([N+](=O)[O-])c1 ZINC000444587626 1044573806 /nfs/dbraw/zinc/57/38/06/1044573806.db2.gz AHUJNBHYBLALLP-UHFFFAOYSA-N 1 1 315.417 4.303 20 30 DIEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000444622476 1044580731 /nfs/dbraw/zinc/58/07/31/1044580731.db2.gz VQVXNHQVYHYJDK-QGZVFWFLSA-N 1 1 302.462 4.416 20 30 DIEDMO C=CCC[N@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444680571 1044600026 /nfs/dbraw/zinc/60/00/26/1044600026.db2.gz PXSQLWSXSBOIAE-UHFFFAOYSA-N 1 1 304.437 4.394 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2cccc(Cl)c2n1 ZINC001137224924 1044607260 /nfs/dbraw/zinc/60/72/60/1044607260.db2.gz WJUHHMZJDCVCSP-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO FCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444736861 1044613954 /nfs/dbraw/zinc/61/39/54/1044613954.db2.gz PPEBDTQZTDDEQF-JTQLQIEISA-N 1 1 303.221 4.258 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000444770816 1044622999 /nfs/dbraw/zinc/62/29/99/1044622999.db2.gz GABVQWCVKGAIMW-UHFFFAOYSA-N 1 1 308.372 4.170 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nc3cccnc3s2)CCCC1(C)C ZINC000444777059 1044625983 /nfs/dbraw/zinc/62/59/83/1044625983.db2.gz RFFLGXMUQQBWHL-AWEZNQCLSA-N 1 1 301.459 4.258 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786383 1044630395 /nfs/dbraw/zinc/63/03/95/1044630395.db2.gz NUGSCLNFWIAVCM-KRWDZBQOSA-N 1 1 314.473 4.309 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2cccc(Cl)c2n1 ZINC001137228273 1044633649 /nfs/dbraw/zinc/63/36/49/1044633649.db2.gz MCHIDBKKQOIGFV-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000523556794 1044658150 /nfs/dbraw/zinc/65/81/50/1044658150.db2.gz NHGJGDKSYXXDBT-INIZCTEOSA-N 1 1 320.452 4.023 20 30 DIEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)no1 ZINC000568920309 1044658941 /nfs/dbraw/zinc/65/89/41/1044658941.db2.gz ANJMKDLICAERNA-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275889379 1044661370 /nfs/dbraw/zinc/66/13/70/1044661370.db2.gz OQDYMXGGIJSJNW-KZNAEPCWSA-N 1 1 320.521 4.090 20 30 DIEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879433 1044661787 /nfs/dbraw/zinc/66/17/87/1044661787.db2.gz DPMJEPRPWBYZCH-FXAWDEMLSA-N 1 1 320.521 4.092 20 30 DIEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000523606085 1044669271 /nfs/dbraw/zinc/66/92/71/1044669271.db2.gz IEXFGVNZROAJAU-KRWDZBQOSA-N 1 1 303.446 4.067 20 30 DIEDMO CSc1ccc(C[NH2+][C@H](C)c2cccnc2Cl)cc1C#N ZINC000886687731 1044681895 /nfs/dbraw/zinc/68/18/95/1044681895.db2.gz DIEOFJPFRHJZHS-LLVKDONJSA-N 1 1 317.845 4.179 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(n1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000569806772 1044714138 /nfs/dbraw/zinc/71/41/38/1044714138.db2.gz ABWTUHSVECEXOC-HNNXBMFYSA-N 1 1 305.425 4.025 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000524043270 1044718104 /nfs/dbraw/zinc/71/81/04/1044718104.db2.gz CUGILJFQFLTGBQ-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2cc(Cl)ccc2C#N)C1 ZINC000524053250 1044726811 /nfs/dbraw/zinc/72/68/11/1044726811.db2.gz ZUNURZGPLDTAHY-AWEZNQCLSA-N 1 1 305.853 4.136 20 30 DIEDMO Cc1c[nH]nc1C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368082769 1044764776 /nfs/dbraw/zinc/76/47/76/1044764776.db2.gz ZNPMGVPCLKUZPN-OAHLLOKOSA-N 1 1 316.408 4.108 20 30 DIEDMO Cc1nsc(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000570813152 1044784376 /nfs/dbraw/zinc/78/43/76/1044784376.db2.gz MWAPELYQHWGGTK-WMZOPIPTSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nsc(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000570813152 1044784388 /nfs/dbraw/zinc/78/43/88/1044784388.db2.gz MWAPELYQHWGGTK-WMZOPIPTSA-N 1 1 311.454 4.032 20 30 DIEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760672 1044827869 /nfs/dbraw/zinc/82/78/69/1044827869.db2.gz GPAHZIKVIIEPNV-AWEZNQCLSA-N 1 1 318.342 4.145 20 30 DIEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760672 1044827888 /nfs/dbraw/zinc/82/78/88/1044827888.db2.gz GPAHZIKVIIEPNV-AWEZNQCLSA-N 1 1 318.342 4.145 20 30 DIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000572024173 1044839219 /nfs/dbraw/zinc/83/92/19/1044839219.db2.gz BZYFXWOAKJXPIV-IBGZPJMESA-N 1 1 324.399 4.071 20 30 DIEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336856884 1044849911 /nfs/dbraw/zinc/84/99/11/1044849911.db2.gz OWMOHFCPHWQADT-IAGOWNOFSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nc(C)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)s1 ZINC000336856884 1044849926 /nfs/dbraw/zinc/84/99/26/1044849926.db2.gz OWMOHFCPHWQADT-IAGOWNOFSA-N 1 1 311.454 4.032 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000572325093 1044853221 /nfs/dbraw/zinc/85/32/21/1044853221.db2.gz UHUDMHVEOGYPFJ-TXEJJXNPSA-N 1 1 302.365 4.173 20 30 DIEDMO CC(C)COC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000572447296 1044860944 /nfs/dbraw/zinc/86/09/44/1044860944.db2.gz DFOUQLCGSTZKKO-RBUKOAKNSA-N 1 1 324.424 4.142 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337164052 1044870296 /nfs/dbraw/zinc/87/02/96/1044870296.db2.gz XHXYATJTBVYBNE-QGZVFWFLSA-N 1 1 312.457 4.313 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1Cl ZINC000337186725 1044872501 /nfs/dbraw/zinc/87/25/01/1044872501.db2.gz PCRCFERUAUCJBR-UHFFFAOYSA-N 1 1 324.827 4.011 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000572796946 1044878655 /nfs/dbraw/zinc/87/86/55/1044878655.db2.gz CFXIJEQESVGFNZ-SFHVURJKSA-N 1 1 312.388 4.289 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1Cl ZINC000572921565 1044883895 /nfs/dbraw/zinc/88/38/95/1044883895.db2.gz PIQODDJJPPADRV-SFHVURJKSA-N 1 1 323.864 4.032 20 30 DIEDMO CC(C)C[N@@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000573414361 1044907195 /nfs/dbraw/zinc/90/71/95/1044907195.db2.gz YUWKYHAWYLMQJP-UHFFFAOYSA-N 1 1 319.408 4.358 20 30 DIEDMO CC1CCC([N@H+](Cc2cccc(C#N)c2)C[C@@H]2CCCO2)CC1 ZINC000524757093 1044916255 /nfs/dbraw/zinc/91/62/55/1044916255.db2.gz CNPKKLJSPDRIMP-GQOXECLESA-N 1 1 312.457 4.118 20 30 DIEDMO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cccc(C#N)c3)[C@@H](C)CO2)c1 ZINC000524756933 1044916823 /nfs/dbraw/zinc/91/68/23/1044916823.db2.gz SWFRTDMJNZAXKN-UWJYYQICSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cccc(C#N)c3)[C@@H](C)CO2)c1 ZINC000524756933 1044916832 /nfs/dbraw/zinc/91/68/32/1044916832.db2.gz SWFRTDMJNZAXKN-UWJYYQICSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1cc([C@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)ccc1F ZINC000373075222 1044937356 /nfs/dbraw/zinc/93/73/56/1044937356.db2.gz UAYFPVNFMVMNKM-GOSISDBHSA-N 1 1 318.436 4.228 20 30 DIEDMO Cc1cc([C@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)ccc1F ZINC000373075222 1044937362 /nfs/dbraw/zinc/93/73/62/1044937362.db2.gz UAYFPVNFMVMNKM-GOSISDBHSA-N 1 1 318.436 4.228 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000574168749 1044942508 /nfs/dbraw/zinc/94/25/08/1044942508.db2.gz DUDBXCJEPJAXLR-PMACEKPBSA-N 1 1 305.425 4.030 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373117584 1044943182 /nfs/dbraw/zinc/94/31/82/1044943182.db2.gz IBVKUBWXQPJUEA-UHFFFAOYSA-N 1 1 307.441 4.367 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000574405094 1044953233 /nfs/dbraw/zinc/95/32/33/1044953233.db2.gz YPEDWLMOYUMQSL-OAHLLOKOSA-N 1 1 323.396 4.438 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000428447140 1044986585 /nfs/dbraw/zinc/98/65/85/1044986585.db2.gz LNEGAENYSJXYPG-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1cccc(OC)c1 ZINC000428447140 1044986596 /nfs/dbraw/zinc/98/65/96/1044986596.db2.gz LNEGAENYSJXYPG-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO Cc1ccc2c(C[N@@H+](CCC#N)CC(C)(C)C)ccc(O)c2n1 ZINC000338313449 1044989852 /nfs/dbraw/zinc/98/98/52/1044989852.db2.gz JEPQQYCENJDMCV-UHFFFAOYSA-N 1 1 311.429 4.011 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O)c2nc(C)ccc12 ZINC000338293158 1044991287 /nfs/dbraw/zinc/99/12/87/1044991287.db2.gz WSHBEHPSHZTDOJ-UHFFFAOYSA-N 1 1 322.408 4.073 20 30 DIEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](c2ccsc2)O1 ZINC000411315412 1044995171 /nfs/dbraw/zinc/99/51/71/1044995171.db2.gz IFNNJPPELWXRAV-NVXWUHKLSA-N 1 1 318.486 4.374 20 30 DIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](c2ccsc2)O1 ZINC000411315412 1044995195 /nfs/dbraw/zinc/99/51/95/1044995195.db2.gz IFNNJPPELWXRAV-NVXWUHKLSA-N 1 1 318.486 4.374 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366818 1045001310 /nfs/dbraw/zinc/00/13/10/1045001310.db2.gz QFBKWBUACQJCKT-OTWHNJEPSA-N 1 1 317.521 4.188 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000411401881 1045006571 /nfs/dbraw/zinc/00/65/71/1045006571.db2.gz OAGFTAFQXULLLM-GJZGRUSLSA-N 1 1 306.837 4.123 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428461404 1045082023 /nfs/dbraw/zinc/08/20/23/1045082023.db2.gz LQADIFOYOICWSM-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1C#N ZINC000428461404 1045082035 /nfs/dbraw/zinc/08/20/35/1045082035.db2.gz LQADIFOYOICWSM-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn([C@H](C)C#N)c2)cc1 ZINC000600773867 1045137892 /nfs/dbraw/zinc/13/78/92/1045137892.db2.gz DZRBMCARZVMKAV-DNVCBOLYSA-N 1 1 308.429 4.009 20 30 DIEDMO CC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000447543783 1045143833 /nfs/dbraw/zinc/14/38/33/1045143833.db2.gz MIEGZPWZNDKEAC-IBGZPJMESA-N 1 1 317.392 4.454 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001258049298 1045166397 /nfs/dbraw/zinc/16/63/97/1045166397.db2.gz DLYAJLKVXGPWHR-MRXNPFEDSA-N 1 1 312.498 4.288 20 30 DIEDMO C=CCCC[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000447798248 1045176975 /nfs/dbraw/zinc/17/69/75/1045176975.db2.gz UMEFYUWAXROIMT-SFHVURJKSA-N 1 1 319.408 4.382 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186764104 1045199640 /nfs/dbraw/zinc/19/96/40/1045199640.db2.gz JCDIDMIWRAZYHM-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000186764104 1045199644 /nfs/dbraw/zinc/19/96/44/1045199644.db2.gz JCDIDMIWRAZYHM-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)CO2 ZINC000578078719 1045205098 /nfs/dbraw/zinc/20/50/98/1045205098.db2.gz MJSARPWIKDHQJA-PXAZEXFGSA-N 1 1 312.800 4.304 20 30 DIEDMO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1Cl)CO2 ZINC000578078721 1045205484 /nfs/dbraw/zinc/20/54/84/1045205484.db2.gz MJSARPWIKDHQJA-SJKOYZFVSA-N 1 1 312.800 4.304 20 30 DIEDMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1Cl)CO2 ZINC000578078722 1045205873 /nfs/dbraw/zinc/20/58/73/1045205873.db2.gz MJSARPWIKDHQJA-YVEFUNNKSA-N 1 1 312.800 4.304 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000925027252 1045218937 /nfs/dbraw/zinc/21/89/37/1045218937.db2.gz JSNCHJCRDXAAAP-INIZCTEOSA-N 1 1 314.816 4.077 20 30 DIEDMO C[C@@H](CC(C)(C)C#N)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000925057761 1045222249 /nfs/dbraw/zinc/22/22/49/1045222249.db2.gz MAHPFEXQSSVGHC-HOTGVXAUSA-N 1 1 301.478 4.034 20 30 DIEDMO C=CC[C@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccncc1 ZINC000925073857 1045224019 /nfs/dbraw/zinc/22/40/19/1045224019.db2.gz FMSIERLMQGOUKU-DLBZAZTESA-N 1 1 314.816 4.213 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000578316350 1045231435 /nfs/dbraw/zinc/23/14/35/1045231435.db2.gz XNNNUZRZPMUAKD-YLJYHZDGSA-N 1 1 321.399 4.143 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000578679068 1045263322 /nfs/dbraw/zinc/26/33/22/1045263322.db2.gz XCDAVCMNYMIBPO-KRWDZBQOSA-N 1 1 308.425 4.158 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOCc1ccccc1 ZINC000578679069 1045263619 /nfs/dbraw/zinc/26/36/19/1045263619.db2.gz XCDAVCMNYMIBPO-QGZVFWFLSA-N 1 1 308.425 4.158 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000578985002 1045285466 /nfs/dbraw/zinc/28/54/66/1045285466.db2.gz OAWHSFATRBNVGV-HZPDHXFCSA-N 1 1 322.493 4.006 20 30 DIEDMO C=CCC[C@@H](CC)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000449472375 1045397738 /nfs/dbraw/zinc/39/77/38/1045397738.db2.gz POONCLKBMBLSGG-QGZVFWFLSA-N 1 1 302.466 4.083 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528737820 1045407007 /nfs/dbraw/zinc/40/70/07/1045407007.db2.gz XNKITKSJMCHURZ-HXUWFJFHSA-N 1 1 312.457 4.176 20 30 DIEDMO COc1cccc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CC2(C)C)c1 ZINC000529638482 1045504359 /nfs/dbraw/zinc/50/43/59/1045504359.db2.gz DSKFXPDXCSDFJZ-GOSISDBHSA-N 1 1 314.473 4.451 20 30 DIEDMO N#Cc1ccccc1C[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001204373496 1045565369 /nfs/dbraw/zinc/56/53/69/1045565369.db2.gz VJXURGDBYMOLEQ-UHFFFAOYSA-N 1 1 322.452 4.113 20 30 DIEDMO CC[N@@H+](Cc1cnc(C2CC2)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119879793 1045580821 /nfs/dbraw/zinc/58/08/21/1045580821.db2.gz ZLVZERZQVSXGKL-ZDUSSCGKSA-N 1 1 311.454 4.475 20 30 DIEDMO C=C(C)C[N@@H+](CC/C=C\c1ccccc1)Cc1ccc(CO)o1 ZINC000450983580 1045605258 /nfs/dbraw/zinc/60/52/58/1045605258.db2.gz RKXGUOFGUBHBLJ-POHAHGRESA-N 1 1 311.425 4.254 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCC(F)(F)C1 ZINC000450984131 1045605934 /nfs/dbraw/zinc/60/59/34/1045605934.db2.gz UFOJVKOQWNTEQY-OAHLLOKOSA-N 1 1 311.420 4.278 20 30 DIEDMO CC(=NNc1cccc(F)c1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751527536 1045610032 /nfs/dbraw/zinc/61/00/32/1045610032.db2.gz YRLFKMCQPXOVLQ-UHFFFAOYSA-N 1 1 308.360 4.156 20 30 DIEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001168127764 1045637696 /nfs/dbraw/zinc/63/76/96/1045637696.db2.gz ZDNKJWXMGVXORU-OAQYLSRUSA-N 1 1 309.453 4.497 20 30 DIEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC001168127763 1045637896 /nfs/dbraw/zinc/63/78/96/1045637896.db2.gz ZDNKJWXMGVXORU-NRFANRHFSA-N 1 1 309.453 4.497 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cc2ccccc2o1 ZINC000191271073 1045672711 /nfs/dbraw/zinc/67/27/11/1045672711.db2.gz JBYZAEJBVPUZCF-AWEZNQCLSA-N 1 1 307.397 4.226 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000530517579 1045682739 /nfs/dbraw/zinc/68/27/39/1045682739.db2.gz WYLGIIMGGVEDSU-NRFANRHFSA-N 1 1 318.420 4.029 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@]1(c2ccccc2)CCCCC1=O ZINC000530517579 1045682744 /nfs/dbraw/zinc/68/27/44/1045682744.db2.gz WYLGIIMGGVEDSU-NRFANRHFSA-N 1 1 318.420 4.029 20 30 DIEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441491704 1045688856 /nfs/dbraw/zinc/68/88/56/1045688856.db2.gz OZENRJQYGRETHW-ZIAGYGMSSA-N 1 1 324.428 4.007 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(Br)n1 ZINC000779433984 1045722964 /nfs/dbraw/zinc/72/29/64/1045722964.db2.gz LQFOVTDMQFHPRZ-UHFFFAOYSA-N 1 1 317.230 4.032 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(Br)n1 ZINC000779433984 1045722976 /nfs/dbraw/zinc/72/29/76/1045722976.db2.gz LQFOVTDMQFHPRZ-UHFFFAOYSA-N 1 1 317.230 4.032 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc(C#N)c1 ZINC000801528131 1045729974 /nfs/dbraw/zinc/72/99/74/1045729974.db2.gz FROKAFLDQXORBB-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1OC ZINC000801597153 1045751626 /nfs/dbraw/zinc/75/16/26/1045751626.db2.gz CMKTVJCVMZHUEV-UHFFFAOYSA-N 1 1 324.424 4.075 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cccc(F)c3C#N)C2)c1 ZINC000452019284 1045760456 /nfs/dbraw/zinc/76/04/56/1045760456.db2.gz PSJFVNQZVKJMJD-QAQDUYKDSA-N 1 1 324.399 4.084 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000452018747 1045760730 /nfs/dbraw/zinc/76/07/30/1045760730.db2.gz PFADRZXPYGBDSK-IYARVYRRSA-N 1 1 324.399 4.084 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753988416 1045826856 /nfs/dbraw/zinc/82/68/56/1045826856.db2.gz QCNWVWMFENYWOD-ZDUSSCGKSA-N 1 1 320.392 4.416 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753988416 1045826870 /nfs/dbraw/zinc/82/68/70/1045826870.db2.gz QCNWVWMFENYWOD-ZDUSSCGKSA-N 1 1 320.392 4.416 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913162 1045834470 /nfs/dbraw/zinc/83/44/70/1045834470.db2.gz QZCSQGYMSAIIMY-ABAIWWIYSA-N 1 1 313.228 4.059 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913162 1045834487 /nfs/dbraw/zinc/83/44/87/1045834487.db2.gz QZCSQGYMSAIIMY-ABAIWWIYSA-N 1 1 313.228 4.059 20 30 DIEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CCO[C@H](C)C#N ZINC000801909965 1045835719 /nfs/dbraw/zinc/83/57/19/1045835719.db2.gz JCODFQLPSIEGIF-OAHLLOKOSA-N 1 1 314.429 4.136 20 30 DIEDMO C[C@H](c1ccc2ccccc2c1)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801918500 1045836958 /nfs/dbraw/zinc/83/69/58/1045836958.db2.gz PHVTVQKBERVHKN-JKSUJKDBSA-N 1 1 308.425 4.294 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921639 1045839923 /nfs/dbraw/zinc/83/99/23/1045839923.db2.gz IEKSFTFRTSOZBQ-WMLDXEAASA-N 1 1 306.837 4.186 20 30 DIEDMO CC(C)(C)SCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000801925274 1045846254 /nfs/dbraw/zinc/84/62/54/1045846254.db2.gz KORJZIMLUUWGQL-IRXDYDNUSA-N 1 1 302.487 4.290 20 30 DIEDMO CC(C)(C)SCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801939800 1045853804 /nfs/dbraw/zinc/85/38/04/1045853804.db2.gz HNYGGIVZMFGUSB-UHFFFAOYSA-N 1 1 300.471 4.179 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000754155026 1045856488 /nfs/dbraw/zinc/85/64/88/1045856488.db2.gz UGFWIUQTQHNRJK-OAHLLOKOSA-N 1 1 312.388 4.057 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000754704167 1045914798 /nfs/dbraw/zinc/91/47/98/1045914798.db2.gz LWUCXJDFMBNODP-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000754715610 1045918319 /nfs/dbraw/zinc/91/83/19/1045918319.db2.gz ZAWJDCXEYZBRAA-GFCCVEGCSA-N 1 1 323.421 4.027 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccc(C)s2)c1O ZINC000754726693 1045921537 /nfs/dbraw/zinc/92/15/37/1045921537.db2.gz MSUUYPJCVVZCAX-UHFFFAOYSA-N 1 1 317.454 4.131 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(C)c2)c(O)c(OC)c1 ZINC000754727665 1045921656 /nfs/dbraw/zinc/92/16/56/1045921656.db2.gz MKQKBUWMFUKFGD-UHFFFAOYSA-N 1 1 311.425 4.070 20 30 DIEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737776 1045924126 /nfs/dbraw/zinc/92/41/26/1045924126.db2.gz VFDSBOUALWRNGO-WOJBJXKFSA-N 1 1 320.436 4.281 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccccc2)C2CCC2)c(C#N)c1 ZINC001137706580 1045939444 /nfs/dbraw/zinc/93/94/44/1045939444.db2.gz IJMPWGIFESUSGG-UHFFFAOYSA-N 1 1 306.409 4.122 20 30 DIEDMO C#Cc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC001202810806 1045963963 /nfs/dbraw/zinc/96/39/63/1045963963.db2.gz BTCQOYBAZBKOJZ-UHFFFAOYSA-N 1 1 303.361 4.343 20 30 DIEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)n1-c1ccccc1 ZINC001137859100 1045988081 /nfs/dbraw/zinc/98/80/81/1045988081.db2.gz IRRCBYSVSNXNML-ZNDPDKIASA-N 1 1 319.452 4.361 20 30 DIEDMO C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899667 1046003756 /nfs/dbraw/zinc/00/37/56/1046003756.db2.gz BZEPNRIZVODWRX-QAPCUYQASA-N 1 1 323.415 4.258 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC001137902535 1046004196 /nfs/dbraw/zinc/00/41/96/1046004196.db2.gz HHMYNNTTWXJKQT-GOSISDBHSA-N 1 1 323.415 4.260 20 30 DIEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779435 1046008044 /nfs/dbraw/zinc/00/80/44/1046008044.db2.gz USGMOYBCERKTMR-KBPBESRZSA-N 1 1 317.383 4.228 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)C2CCCCC2)cc1 ZINC000802659400 1046028952 /nfs/dbraw/zinc/02/89/52/1046028952.db2.gz SDJFESOVPZIPJG-HZPDHXFCSA-N 1 1 300.446 4.378 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001137955380 1046033547 /nfs/dbraw/zinc/03/35/47/1046033547.db2.gz XBQBNRICEQWKGP-LBPRGKRZSA-N 1 1 314.376 4.424 20 30 DIEDMO CC[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453354578 1046056298 /nfs/dbraw/zinc/05/62/98/1046056298.db2.gz JZRGAHQPKJQVQW-MSOLQXFVSA-N 1 1 300.471 4.228 20 30 DIEDMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902756090 1046063441 /nfs/dbraw/zinc/06/34/41/1046063441.db2.gz BMYCJZFOWHTKJY-GUYCJALGSA-N 1 1 309.413 4.219 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1cc(C#N)ccn1 ZINC000902808301 1046074753 /nfs/dbraw/zinc/07/47/53/1046074753.db2.gz IAZGGJHSLGYDDD-WDEREUQCSA-N 1 1 303.768 4.158 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000902836359 1046082363 /nfs/dbraw/zinc/08/23/63/1046082363.db2.gz GSSFHKUNCVULDG-RDTXWAMCSA-N 1 1 319.408 4.050 20 30 DIEDMO CCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902840613 1046083051 /nfs/dbraw/zinc/08/30/51/1046083051.db2.gz DTLYWPDCAANSEI-SJKOYZFVSA-N 1 1 315.367 4.423 20 30 DIEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000779809225 1046089225 /nfs/dbraw/zinc/08/92/25/1046089225.db2.gz UZTBSMINJVHENS-UHFFFAOYSA-N 1 1 314.603 4.300 20 30 DIEDMO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cc(F)ccc1F ZINC000902870357 1046095881 /nfs/dbraw/zinc/09/58/81/1046095881.db2.gz CKABLSNBZLJBRE-ZBEGNZNMSA-N 1 1 301.340 4.033 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000902987684 1046137774 /nfs/dbraw/zinc/13/77/74/1046137774.db2.gz JZOMCWKOVRIYSO-MEDUHNTESA-N 1 1 301.340 4.033 20 30 DIEDMO CCc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000347634030 1046141494 /nfs/dbraw/zinc/14/14/94/1046141494.db2.gz ISHIKDWICYNAIU-UHFFFAOYSA-N 1 1 307.441 4.174 20 30 DIEDMO C#CC[N@@H+](Cc1nc(-c2cccs2)oc1C)C1CCCC1 ZINC000756912172 1046151168 /nfs/dbraw/zinc/15/11/68/1046151168.db2.gz KVCLMRVAVYWBHC-UHFFFAOYSA-N 1 1 300.427 4.089 20 30 DIEDMO C#CC[N@H+](Cc1nc(-c2cccs2)oc1C)C1CCCC1 ZINC000756912172 1046151176 /nfs/dbraw/zinc/15/11/76/1046151176.db2.gz KVCLMRVAVYWBHC-UHFFFAOYSA-N 1 1 300.427 4.089 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CCSCC1 ZINC001461933956 1046166351 /nfs/dbraw/zinc/16/63/51/1046166351.db2.gz IRXZSOMYKLEWHW-UHFFFAOYSA-N 1 1 302.487 4.159 20 30 DIEDMO Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001138412356 1046170469 /nfs/dbraw/zinc/17/04/69/1046170469.db2.gz FJFQKQLMIANOLG-UHFFFAOYSA-N 1 1 307.372 4.119 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)c(OC)c(F)c1 ZINC001138424680 1046177128 /nfs/dbraw/zinc/17/71/28/1046177128.db2.gz BUMPNMPCWAIJIN-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)c(OC)c(F)c1 ZINC001138424680 1046177132 /nfs/dbraw/zinc/17/71/32/1046177132.db2.gz BUMPNMPCWAIJIN-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(Cl)c1 ZINC000903177556 1046185448 /nfs/dbraw/zinc/18/54/48/1046185448.db2.gz PIZAVJPXFDGEBV-CVEARBPZSA-N 1 1 301.821 4.278 20 30 DIEDMO C=CCC[N@H+](Cc1ccc(N(C)C)s1)Cc1ccccc1 ZINC001138494134 1046199791 /nfs/dbraw/zinc/19/97/91/1046199791.db2.gz KFWNOCNRTWRWED-UHFFFAOYSA-N 1 1 300.471 4.392 20 30 DIEDMO C=CC[N@H+](C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC001138511813 1046206089 /nfs/dbraw/zinc/20/60/89/1046206089.db2.gz NJKLXESKQDKEKP-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2)cc1 ZINC001138517918 1046209752 /nfs/dbraw/zinc/20/97/52/1046209752.db2.gz QFPKYIKSXDLTAC-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2)cc1 ZINC001138517918 1046209769 /nfs/dbraw/zinc/20/97/69/1046209769.db2.gz QFPKYIKSXDLTAC-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000245506139 1046237879 /nfs/dbraw/zinc/23/78/79/1046237879.db2.gz NIVJBNSSYYOLOG-YWZLYKJASA-N 1 1 324.399 4.454 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](C#N)CC3)c2)cc1 ZINC001138616353 1046241161 /nfs/dbraw/zinc/24/11/61/1046241161.db2.gz VOGLBKPTHHSRSC-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000245539875 1046241513 /nfs/dbraw/zinc/24/15/13/1046241513.db2.gz LRDPGDTXWPGWBI-HXUWFJFHSA-N 1 1 319.452 4.026 20 30 DIEDMO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H](C#N)C3)c2)cc1 ZINC001138614783 1046241787 /nfs/dbraw/zinc/24/17/87/1046241787.db2.gz HCXQPTQDXLMLCL-QGZVFWFLSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H](C#N)C3)c2)cc1 ZINC001138614783 1046241804 /nfs/dbraw/zinc/24/18/04/1046241804.db2.gz HCXQPTQDXLMLCL-QGZVFWFLSA-N 1 1 306.409 4.098 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(C)(C)C ZINC000903329636 1046241938 /nfs/dbraw/zinc/24/19/38/1046241938.db2.gz SPDLJUPMSVRFFU-KUHUBIRLSA-N 1 1 323.440 4.405 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903329209 1046242663 /nfs/dbraw/zinc/24/26/63/1046242663.db2.gz QFYHILQPVGVLQH-KDOFPFPSSA-N 1 1 308.429 4.095 20 30 DIEDMO CC(=[NH+]Nc1cccc(C(F)(F)F)c1)c1ccc(N)cc1C ZINC000758091314 1046244597 /nfs/dbraw/zinc/24/45/97/1046244597.db2.gz CMEAWQCHPPEGEE-UHFFFAOYSA-N 1 1 307.319 4.432 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)c1O ZINC001138627662 1046247021 /nfs/dbraw/zinc/24/70/21/1046247021.db2.gz DSLPKNPVJIEWCS-HXUWFJFHSA-N 1 1 323.436 4.466 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccc(F)cc2F)c1O ZINC001138630006 1046249596 /nfs/dbraw/zinc/24/95/96/1046249596.db2.gz NJRMSECRIJSETC-UHFFFAOYSA-N 1 1 303.352 4.031 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCc3c4ccccc4oc3C2)c1O ZINC001138630283 1046250004 /nfs/dbraw/zinc/25/00/04/1046250004.db2.gz UXRYMIHHMWJEPK-UHFFFAOYSA-N 1 1 319.404 4.425 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCc3c4ccccc4oc3C2)c1O ZINC001138630283 1046250017 /nfs/dbraw/zinc/25/00/17/1046250017.db2.gz UXRYMIHHMWJEPK-UHFFFAOYSA-N 1 1 319.404 4.425 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001138664338 1046259097 /nfs/dbraw/zinc/25/90/97/1046259097.db2.gz NVJAWQUYXGALDG-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(N(C)C)c1 ZINC000610368116 1046260820 /nfs/dbraw/zinc/26/08/20/1046260820.db2.gz XNBWFIOGEKCGCT-UHFFFAOYSA-N 1 1 307.441 4.035 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)cc1 ZINC000245710852 1046261491 /nfs/dbraw/zinc/26/14/91/1046261491.db2.gz FYISTDXTVXHQLG-CBGDNZLLSA-N 1 1 320.436 4.355 20 30 DIEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000653606522 1046304054 /nfs/dbraw/zinc/30/40/54/1046304054.db2.gz ORSNFYGVMIDQGW-SFHVURJKSA-N 1 1 312.461 4.040 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(C#N)cc3)cc2)C1 ZINC000237676520 1046310256 /nfs/dbraw/zinc/31/02/56/1046310256.db2.gz KPYXCIBPIGHNBO-KRWDZBQOSA-N 1 1 319.452 4.402 20 30 DIEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000832523970 1046338936 /nfs/dbraw/zinc/33/89/36/1046338936.db2.gz JWZNHWGTUOYWMC-HXUWFJFHSA-N 1 1 324.399 4.374 20 30 DIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000759420160 1046353892 /nfs/dbraw/zinc/35/38/92/1046353892.db2.gz NTFHCGUNNTWCOZ-FQEVSTJZSA-N 1 1 322.452 4.432 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2cccc(C#N)c2)o1 ZINC000248892801 1046354998 /nfs/dbraw/zinc/35/49/98/1046354998.db2.gz FYCJOLNJHIUACM-KSSFIOAISA-N 1 1 310.397 4.196 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cccc(OC)c1 ZINC001139030783 1046364282 /nfs/dbraw/zinc/36/42/82/1046364282.db2.gz UGAOFDUNBKJMHP-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO N#CCC1C[NH+](Cc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC001139261356 1046420068 /nfs/dbraw/zinc/42/00/68/1046420068.db2.gz GPVRJMBLNKNYGW-UHFFFAOYSA-N 1 1 312.800 4.478 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC001139332217 1046429426 /nfs/dbraw/zinc/42/94/26/1046429426.db2.gz JVENAMNWRKYOFY-UHFFFAOYSA-N 1 1 300.450 4.060 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC001168233145 1046435463 /nfs/dbraw/zinc/43/54/63/1046435463.db2.gz CNPLJAVOFVWBFI-CABCVRRESA-N 1 1 324.399 4.084 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC001168233146 1046435543 /nfs/dbraw/zinc/43/55/43/1046435543.db2.gz CNPLJAVOFVWBFI-GJZGRUSLSA-N 1 1 324.399 4.084 20 30 DIEDMO C=CC[N@@H+](Cc1cccn1Cc1cnc(Cl)s1)C(C)(C)C ZINC001139369370 1046440743 /nfs/dbraw/zinc/44/07/43/1046440743.db2.gz VMAMHZWDPSHKME-UHFFFAOYSA-N 1 1 323.893 4.433 20 30 DIEDMO CCCCCCCCCN(C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000781399285 1046442821 /nfs/dbraw/zinc/44/28/21/1046442821.db2.gz QYHOQVBHJCAEDT-QGZVFWFLSA-N 1 1 323.525 4.029 20 30 DIEDMO CCCCCCCCCN(C)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781399284 1046443201 /nfs/dbraw/zinc/44/32/01/1046443201.db2.gz QYHOQVBHJCAEDT-KRWDZBQOSA-N 1 1 323.525 4.029 20 30 DIEDMO C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C[C@@H]1CC1(C)C ZINC001139405235 1046443388 /nfs/dbraw/zinc/44/33/88/1046443388.db2.gz KZQUAYNBMHMAPM-SFHVURJKSA-N 1 1 305.425 4.098 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C(C)(C)C ZINC001139406657 1046443874 /nfs/dbraw/zinc/44/38/74/1046443874.db2.gz YZELQBUXEJPDEM-UHFFFAOYSA-N 1 1 305.425 4.407 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@H]4CCC[C@H]43)cc2)c1 ZINC001139405480 1046444262 /nfs/dbraw/zinc/44/42/62/1046444262.db2.gz REYKTXXGAGDQGZ-TZIWHRDSSA-N 1 1 317.436 4.385 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1ccccc1-n1cncn1 ZINC001139421327 1046448472 /nfs/dbraw/zinc/44/84/72/1046448472.db2.gz GDRKOJYNFMKEIH-UHFFFAOYSA-N 1 1 300.450 4.060 20 30 DIEDMO CCC(CC)[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427478 1046451052 /nfs/dbraw/zinc/45/10/52/1046451052.db2.gz HRLTVJLELLTXRK-UHFFFAOYSA-N 1 1 309.413 4.366 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccsc2)nc1)Cc1cccc(C#N)c1 ZINC001139504696 1046458062 /nfs/dbraw/zinc/45/80/62/1046458062.db2.gz HLXBHKDDSACEMQ-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC001139527869 1046462848 /nfs/dbraw/zinc/46/28/48/1046462848.db2.gz RWRBMDSBBREWRD-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(Br)c1F)C(C)(C)C ZINC001139535071 1046464789 /nfs/dbraw/zinc/46/47/89/1046464789.db2.gz JPIGTNLQEXTIEC-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H](C)c1cccc(O)c1 ZINC000091974993 1046490347 /nfs/dbraw/zinc/49/03/47/1046490347.db2.gz AARVPASWQYZVNT-CVEARBPZSA-N 1 1 324.424 4.266 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001139650281 1046494822 /nfs/dbraw/zinc/49/48/22/1046494822.db2.gz YSIGBZGTJXGVGG-QGZVFWFLSA-N 1 1 324.399 4.086 20 30 DIEDMO Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651607 1046495142 /nfs/dbraw/zinc/49/51/42/1046495142.db2.gz RDSAFEWOTVWKJP-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651607 1046495144 /nfs/dbraw/zinc/49/51/44/1046495144.db2.gz RDSAFEWOTVWKJP-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@H+](Cc1cccc(Cl)c1C#N)Cc1cccc2cccnc21 ZINC001139691327 1046499416 /nfs/dbraw/zinc/49/94/16/1046499416.db2.gz USSJFQIVGRGIGZ-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C[N@@H+](Cc1cccc(Cl)c1C#N)Cc1cccc2cccnc21 ZINC001139691327 1046499418 /nfs/dbraw/zinc/49/94/18/1046499418.db2.gz USSJFQIVGRGIGZ-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001139694020 1046500956 /nfs/dbraw/zinc/50/09/56/1046500956.db2.gz YYDQCDXPOVGWOQ-CQSZACIVSA-N 1 1 306.812 4.316 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1cn2ccncc2n1 ZINC001139700524 1046502270 /nfs/dbraw/zinc/50/22/70/1046502270.db2.gz NZLIADVYXCUYCN-UHFFFAOYSA-N 1 1 302.466 4.302 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701388 1046502686 /nfs/dbraw/zinc/50/26/86/1046502686.db2.gz GVKUJNGGDJOBNW-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Sc3ccncc3)C2)cc1C#N ZINC001139726275 1046506405 /nfs/dbraw/zinc/50/64/05/1046506405.db2.gz DUAVDNLMYWGNDZ-IBGZPJMESA-N 1 1 323.465 4.018 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc(C)c(Br)c1 ZINC001139730191 1046506908 /nfs/dbraw/zinc/50/69/08/1046506908.db2.gz HNHGGTJAGGEEDP-UHFFFAOYSA-N 1 1 309.251 4.273 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C)c(Br)c1 ZINC001139730191 1046506918 /nfs/dbraw/zinc/50/69/18/1046506918.db2.gz HNHGGTJAGGEEDP-UHFFFAOYSA-N 1 1 309.251 4.273 20 30 DIEDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC001139726440 1046506938 /nfs/dbraw/zinc/50/69/38/1046506938.db2.gz NSRNLNLUQLGYPP-LJQANCHMSA-N 1 1 308.450 4.157 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1C#N ZINC001139726294 1046507718 /nfs/dbraw/zinc/50/77/18/1046507718.db2.gz GDZYNBHJVJWWSR-IBGZPJMESA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1C#N ZINC001139726294 1046507731 /nfs/dbraw/zinc/50/77/31/1046507731.db2.gz GDZYNBHJVJWWSR-IBGZPJMESA-N 1 1 312.363 4.482 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757355 1046513689 /nfs/dbraw/zinc/51/36/89/1046513689.db2.gz PBBQKYPUFGCFNS-UHFFFAOYSA-N 1 1 314.473 4.331 20 30 DIEDMO C=C(C)C[N@@H+](CC)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000641849521 1046519316 /nfs/dbraw/zinc/51/93/16/1046519316.db2.gz BUOLLARKLNFOSD-KRWDZBQOSA-N 1 1 322.452 4.053 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]2CCCC[C@H]12 ZINC000782501867 1046530889 /nfs/dbraw/zinc/53/08/89/1046530889.db2.gz AVCWUZQLQOCNJQ-XYPHTWIQSA-N 1 1 318.848 4.253 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874775 1046539635 /nfs/dbraw/zinc/53/96/35/1046539635.db2.gz LPUHMVVXUGJLJF-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO C=C(Br)C[N@@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001307534210 1046555600 /nfs/dbraw/zinc/55/56/00/1046555600.db2.gz HMHZUISACLOFOO-JKSUJKDBSA-N 1 1 306.247 4.296 20 30 DIEDMO C=C(Br)C[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001307534210 1046555604 /nfs/dbraw/zinc/55/56/04/1046555604.db2.gz HMHZUISACLOFOO-JKSUJKDBSA-N 1 1 306.247 4.296 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2nccc(Br)c12 ZINC001139945842 1046555569 /nfs/dbraw/zinc/55/55/69/1046555569.db2.gz QTHKOKXEBOAFBB-UHFFFAOYSA-N 1 1 322.250 4.114 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(cnn2C)c1 ZINC001139950343 1046557427 /nfs/dbraw/zinc/55/74/27/1046557427.db2.gz DQORBGFOBCKXQJ-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cccc(Br)c12 ZINC001139966242 1046561095 /nfs/dbraw/zinc/56/10/95/1046561095.db2.gz QIOFAFAPDNHNFW-UHFFFAOYSA-N 1 1 307.235 4.328 20 30 DIEDMO C=CC[N@H+](C)Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC001140029589 1046571252 /nfs/dbraw/zinc/57/12/52/1046571252.db2.gz YTLQDTRAFBXUBO-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)c2c1 ZINC001140114751 1046590815 /nfs/dbraw/zinc/59/08/15/1046590815.db2.gz YHHPZVQOIBYBKD-OAHLLOKOSA-N 1 1 319.383 4.168 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C(F)(F)F)ccn1 ZINC001140108701 1046591241 /nfs/dbraw/zinc/59/12/41/1046591241.db2.gz KJEHNRHNMSUWID-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C(F)(F)F)ccn1 ZINC001140108701 1046591251 /nfs/dbraw/zinc/59/12/51/1046591251.db2.gz KJEHNRHNMSUWID-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccc(F)cc1 ZINC001140116084 1046593846 /nfs/dbraw/zinc/59/38/46/1046593846.db2.gz QRTIIFTVGIEEKY-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4C[C@H](C3)c3ccccc34)c2c1 ZINC001140115784 1046594972 /nfs/dbraw/zinc/59/49/72/1046594972.db2.gz LKXUEZYQXUAQQP-IYBDPMFKSA-N 1 1 313.404 4.126 20 30 DIEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115598 1046595016 /nfs/dbraw/zinc/59/50/16/1046595016.db2.gz IEMDQLJIVMGJKT-VMPITWQZSA-N 1 1 301.393 4.185 20 30 DIEDMO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140137582 1046597328 /nfs/dbraw/zinc/59/73/28/1046597328.db2.gz NXQNPOJZNSEKDM-SFHVURJKSA-N 1 1 324.399 4.049 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@@H]2C2CC2)ccc1OC ZINC000678239479 1046599164 /nfs/dbraw/zinc/59/91/64/1046599164.db2.gz FMZWZAAAEMMEPN-QGZVFWFLSA-N 1 1 301.430 4.025 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CCC[C@H]2C2CC2)ccc1OC ZINC000678239478 1046600647 /nfs/dbraw/zinc/60/06/47/1046600647.db2.gz FMZWZAAAEMMEPN-KRWDZBQOSA-N 1 1 301.430 4.025 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000533001708 1046638175 /nfs/dbraw/zinc/63/81/75/1046638175.db2.gz LJXMSRRKPYVJJA-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140286928 1046639306 /nfs/dbraw/zinc/63/93/06/1046639306.db2.gz WWQKHGNAEFOMFN-UHFFFAOYSA-N 1 1 318.505 4.050 20 30 DIEDMO COCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000093872263 1046640705 /nfs/dbraw/zinc/64/07/05/1046640705.db2.gz POVJLPBPAIFKOF-LEWJYISDSA-N 1 1 320.436 4.105 20 30 DIEDMO C=CCC[N@H+](Cc1[nH]nc2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658794 /nfs/dbraw/zinc/65/87/94/1046658794.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 1 1 305.425 4.450 20 30 DIEDMO C=CCC[N@@H+](Cc1n[nH]c2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658801 /nfs/dbraw/zinc/65/88/01/1046658801.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 1 1 305.425 4.450 20 30 DIEDMO C=CCC[N@H+](Cc1n[nH]c2ccc(C)cc21)Cc1ccccc1 ZINC001140330805 1046658805 /nfs/dbraw/zinc/65/88/05/1046658805.db2.gz LANYJPGNJPLIND-UHFFFAOYSA-N 1 1 305.425 4.450 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2nccs2)c1 ZINC001140334850 1046662606 /nfs/dbraw/zinc/66/26/06/1046662606.db2.gz INVQRSZHGHKYAV-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000533255562 1046681050 /nfs/dbraw/zinc/68/10/50/1046681050.db2.gz WAGGODBDPCEQMF-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000533255562 1046681053 /nfs/dbraw/zinc/68/10/53/1046681053.db2.gz WAGGODBDPCEQMF-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC[N@@H+](CC[C@@H](O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000795866016 1046689287 /nfs/dbraw/zinc/68/92/87/1046689287.db2.gz GCEAKQPHKXEBKG-OXQOHEQNSA-N 1 1 308.425 4.065 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299134 1046691468 /nfs/dbraw/zinc/69/14/68/1046691468.db2.gz CIFKNNLHTSFYII-JKSUJKDBSA-N 1 1 302.462 4.425 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299131 1046691678 /nfs/dbraw/zinc/69/16/78/1046691678.db2.gz CIFKNNLHTSFYII-CVEARBPZSA-N 1 1 302.462 4.425 20 30 DIEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000784507895 1046693397 /nfs/dbraw/zinc/69/33/97/1046693397.db2.gz BDIFSPAESRJOTK-CQSZACIVSA-N 1 1 306.837 4.110 20 30 DIEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1O ZINC000834878472 1046695482 /nfs/dbraw/zinc/69/54/82/1046695482.db2.gz DJTXVEVRLHEDSH-SRVKXCTJSA-N 1 1 312.335 4.144 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140419874 1046708538 /nfs/dbraw/zinc/70/85/38/1046708538.db2.gz OPBQTNOVEDXVTM-ZDUSSCGKSA-N 1 1 315.417 4.075 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)CC1 ZINC001140419873 1046709091 /nfs/dbraw/zinc/70/90/91/1046709091.db2.gz OPBQTNOVEDXVTM-CYBMUJFWSA-N 1 1 315.417 4.075 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140419998 1046710381 /nfs/dbraw/zinc/71/03/81/1046710381.db2.gz PZZPOOMBCYJDBT-CYBMUJFWSA-N 1 1 315.417 4.075 20 30 DIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000533417839 1046718507 /nfs/dbraw/zinc/71/85/07/1046718507.db2.gz NWMNACZRMPEOBE-IRXDYDNUSA-N 1 1 322.452 4.058 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000533436900 1046722873 /nfs/dbraw/zinc/72/28/73/1046722873.db2.gz QPWJYDNYZHSELM-NSHDSACASA-N 1 1 315.244 4.218 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]c2ncc(Br)cc12)C(C)(C)C ZINC001140461139 1046735370 /nfs/dbraw/zinc/73/53/70/1046735370.db2.gz GLWIPIZXZUXRGZ-UHFFFAOYSA-N 1 1 322.250 4.112 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccc(C)s2)C(C)C)cc1C#N ZINC000533538435 1046745888 /nfs/dbraw/zinc/74/58/88/1046745888.db2.gz VROWYPAGMDNCKF-UHFFFAOYSA-N 1 1 314.454 4.347 20 30 DIEDMO C=CCC(C)(C)C(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000796895793 1046754709 /nfs/dbraw/zinc/75/47/09/1046754709.db2.gz AIRGUCVBCJMYKZ-SFHVURJKSA-N 1 1 315.457 4.044 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC001140507629 1046758506 /nfs/dbraw/zinc/75/85/06/1046758506.db2.gz LHOSTELMFQWAIL-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001140510371 1046759260 /nfs/dbraw/zinc/75/92/60/1046759260.db2.gz OCIQKAKYRUQPQA-KAUXGEHWSA-N 1 1 308.510 4.236 20 30 DIEDMO C=CCC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC001140527061 1046766020 /nfs/dbraw/zinc/76/60/20/1046766020.db2.gz JHSGCMIFKPEFGC-UHFFFAOYSA-N 1 1 317.436 4.451 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1O ZINC000796991337 1046766660 /nfs/dbraw/zinc/76/66/60/1046766660.db2.gz WXGDYBRNQMNBNG-MRXNPFEDSA-N 1 1 318.779 4.297 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1O ZINC000796991330 1046766915 /nfs/dbraw/zinc/76/69/15/1046766915.db2.gz WXGDYBRNQMNBNG-INIZCTEOSA-N 1 1 318.779 4.297 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccc(F)cc2O)cc1 ZINC000797007945 1046771013 /nfs/dbraw/zinc/77/10/13/1046771013.db2.gz SBGCWOHIEBTPMR-GOSISDBHSA-N 1 1 315.388 4.337 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cccnc2Cl)cc1 ZINC000797007868 1046771810 /nfs/dbraw/zinc/77/18/10/1046771810.db2.gz QORWZZCSIXPUDI-CYBMUJFWSA-N 1 1 302.805 4.151 20 30 DIEDMO C=CCC(C)(C)C(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000797047926 1046780321 /nfs/dbraw/zinc/78/03/21/1046780321.db2.gz HUXSQLOAPAUGEG-WMZOPIPTSA-N 1 1 315.457 4.043 20 30 DIEDMO C=CCC(C)(C)C(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000797047917 1046780343 /nfs/dbraw/zinc/78/03/43/1046780343.db2.gz HUXSQLOAPAUGEG-AEFFLSMTSA-N 1 1 315.457 4.043 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558981 1046781245 /nfs/dbraw/zinc/78/12/45/1046781245.db2.gz LFYAPPLGBUEJLQ-LLVKDONJSA-N 1 1 317.738 4.084 20 30 DIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1Cl ZINC001140602986 1046805292 /nfs/dbraw/zinc/80/52/92/1046805292.db2.gz VNXDABMVUPUYSJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1Cl ZINC001140602986 1046805306 /nfs/dbraw/zinc/80/53/06/1046805306.db2.gz VNXDABMVUPUYSJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO COc1ccc([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2Cl)cc1 ZINC001140602994 1046806741 /nfs/dbraw/zinc/80/67/41/1046806741.db2.gz VXGYWLOQQGHOAO-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2Cl)cc1 ZINC001140602994 1046806764 /nfs/dbraw/zinc/80/67/64/1046806764.db2.gz VXGYWLOQQGHOAO-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO CCCCCCCCC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000302949747 1046828226 /nfs/dbraw/zinc/82/82/26/1046828226.db2.gz MFRZYCKXKQTKLG-UHFFFAOYSA-N 1 1 323.506 4.210 20 30 DIEDMO CCCCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000302949747 1046828248 /nfs/dbraw/zinc/82/82/48/1046828248.db2.gz MFRZYCKXKQTKLG-UHFFFAOYSA-N 1 1 323.506 4.210 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCc2ccccc21 ZINC001203054876 1046829962 /nfs/dbraw/zinc/82/99/62/1046829962.db2.gz HRUOXEBINNJPRM-GOSISDBHSA-N 1 1 311.812 4.129 20 30 DIEDMO C#CC[N@@H+](Cc1cccc2ccncc21)[C@@H]1CCc2ccccc21 ZINC001140644006 1046831490 /nfs/dbraw/zinc/83/14/90/1046831490.db2.gz UQCHYYZSPMLDCI-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(Cl)n1 ZINC000797589296 1046854395 /nfs/dbraw/zinc/85/43/95/1046854395.db2.gz DRMZARNEFDGAJY-UHFFFAOYSA-N 1 1 311.816 4.080 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1cscc1Br)c1ccncc1 ZINC000796307421 1046872472 /nfs/dbraw/zinc/87/24/72/1046872472.db2.gz KHWWMGZDURQOMP-AWEZNQCLSA-N 1 1 323.259 4.313 20 30 DIEDMO N#Cc1c(F)cc(C[NH+]2CCC(c3cccs3)CC2)cc1F ZINC001140753798 1046886098 /nfs/dbraw/zinc/88/60/98/1046886098.db2.gz MPLCNAZHVRLQEX-UHFFFAOYSA-N 1 1 318.392 4.278 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000614963245 1046891810 /nfs/dbraw/zinc/89/18/10/1046891810.db2.gz ZCAGDYBSVFDZDP-KXBFYZLASA-N 1 1 308.450 4.409 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001140781956 1046895727 /nfs/dbraw/zinc/89/57/27/1046895727.db2.gz WHUXUKDOUIFICP-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cccc(C#N)c1Cl ZINC001140812699 1046911183 /nfs/dbraw/zinc/91/11/83/1046911183.db2.gz HCCVVWKXUPEFIY-QHHAFSJGSA-N 1 1 311.816 4.142 20 30 DIEDMO N#CCC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000611622797 1046965908 /nfs/dbraw/zinc/96/59/08/1046965908.db2.gz MBCNTIYHBBJVAO-UHFFFAOYSA-N 1 1 314.763 4.067 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccn2)s1)Cc1cccc(C#N)c1 ZINC001141006606 1046976571 /nfs/dbraw/zinc/97/65/71/1046976571.db2.gz BUYUAVNQNIQKRX-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO CC#CC[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000680434807 1046982109 /nfs/dbraw/zinc/98/21/09/1046982109.db2.gz SRVRLUNCFFXKDN-LBPRGKRZSA-N 1 1 320.152 4.056 20 30 DIEDMO N#CCC[N@@H+](Cc1ccn2ccnc2c1)C1CCCCCCC1 ZINC001141044552 1046989072 /nfs/dbraw/zinc/98/90/72/1046989072.db2.gz NUYZXDVLOAZYQB-UHFFFAOYSA-N 1 1 310.445 4.163 20 30 DIEDMO CCc1ccc(C[N@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1 ZINC001141112507 1047018634 /nfs/dbraw/zinc/01/86/34/1047018634.db2.gz DDAWIKRWTLMRGX-UHFFFAOYSA-N 1 1 319.861 4.050 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1 ZINC001141112507 1047018644 /nfs/dbraw/zinc/01/86/44/1047018644.db2.gz DDAWIKRWTLMRGX-UHFFFAOYSA-N 1 1 319.861 4.050 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc2ccc(OC)cc12 ZINC001141151813 1047029956 /nfs/dbraw/zinc/02/99/56/1047029956.db2.gz XRTFGCYZSYLSKL-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141207969 1047045796 /nfs/dbraw/zinc/04/57/96/1047045796.db2.gz VVUSBPWZCCXBEQ-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(-c2ccccc2)n1 ZINC001141214369 1047048971 /nfs/dbraw/zinc/04/89/71/1047048971.db2.gz QDOFZSFNSZSFKW-FFGGFLGDSA-N 1 1 309.438 4.077 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccccc2)n1 ZINC001141214369 1047048985 /nfs/dbraw/zinc/04/89/85/1047048985.db2.gz QDOFZSFNSZSFKW-FFGGFLGDSA-N 1 1 309.438 4.077 20 30 DIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)cs2)o1 ZINC000536666941 1047056745 /nfs/dbraw/zinc/05/67/45/1047056745.db2.gz VAUUTPKCXCTXIA-BLLLJJGKSA-N 1 1 300.427 4.494 20 30 DIEDMO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cc(C#N)cs2)cc1 ZINC000536678334 1047067322 /nfs/dbraw/zinc/06/73/22/1047067322.db2.gz ROXGDYAOXGIRDP-KRWDZBQOSA-N 1 1 314.479 4.218 20 30 DIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cc(C#N)cs2)cc1 ZINC000536678334 1047067337 /nfs/dbraw/zinc/06/73/37/1047067337.db2.gz ROXGDYAOXGIRDP-KRWDZBQOSA-N 1 1 314.479 4.218 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H](F)C3)cc2)cc1 ZINC001141293974 1047078737 /nfs/dbraw/zinc/07/87/37/1047078737.db2.gz QQJOFVOHCOJZCB-KRWDZBQOSA-N 1 1 310.372 4.284 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H](F)C3)cc2)cc1 ZINC001141293974 1047078749 /nfs/dbraw/zinc/07/87/49/1047078749.db2.gz QQJOFVOHCOJZCB-KRWDZBQOSA-N 1 1 310.372 4.284 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000536709250 1047085103 /nfs/dbraw/zinc/08/51/03/1047085103.db2.gz FNMYXXKJXPBTHL-SFHVURJKSA-N 1 1 317.392 4.427 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000536709250 1047085116 /nfs/dbraw/zinc/08/51/16/1047085116.db2.gz FNMYXXKJXPBTHL-SFHVURJKSA-N 1 1 317.392 4.427 20 30 DIEDMO C=CC[NH+](CC=C)Cc1ccc(OC(F)F)cc1OC(F)F ZINC001116433761 1047139761 /nfs/dbraw/zinc/13/97/61/1047139761.db2.gz JJAYWQUOZICMMM-UHFFFAOYSA-N 1 1 319.298 4.063 20 30 DIEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(Cl)ccc2OCC#N)c(C)o1 ZINC001116577741 1047158536 /nfs/dbraw/zinc/15/85/36/1047158536.db2.gz KVEZKHCPQKBWRT-LBPRGKRZSA-N 1 1 318.804 4.303 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Oc2cccc(F)c2)o1 ZINC000537301077 1047161130 /nfs/dbraw/zinc/16/11/30/1047161130.db2.gz AMUIDSBEEDVVKO-UHFFFAOYSA-N 1 1 322.339 4.372 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001116724342 1047171853 /nfs/dbraw/zinc/17/18/53/1047171853.db2.gz QRUYDJLGRWXVTN-AWEZNQCLSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001116724342 1047171859 /nfs/dbraw/zinc/17/18/59/1047171859.db2.gz QRUYDJLGRWXVTN-AWEZNQCLSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001116724343 1047172402 /nfs/dbraw/zinc/17/24/02/1047172402.db2.gz QRUYDJLGRWXVTN-CQSZACIVSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC001116724343 1047172405 /nfs/dbraw/zinc/17/24/05/1047172405.db2.gz QRUYDJLGRWXVTN-CQSZACIVSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168278364 1047187083 /nfs/dbraw/zinc/18/70/83/1047187083.db2.gz CPOGIGKUCJICLS-HXUWFJFHSA-N 1 1 307.437 4.241 20 30 DIEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C)cc1C ZINC000612065861 1047199012 /nfs/dbraw/zinc/19/90/12/1047199012.db2.gz LFWVSPVSWYKRCL-UHFFFAOYSA-N 1 1 322.452 4.018 20 30 DIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)CCC2 ZINC000152569635 1047219780 /nfs/dbraw/zinc/21/97/80/1047219780.db2.gz WUKODZKFGCCCRY-MRXNPFEDSA-N 1 1 311.454 4.087 20 30 DIEDMO C=CC[N@H+](Cc1cc(F)c(OC)c(OC)c1)C1CCCCC1 ZINC001137511118 1047240481 /nfs/dbraw/zinc/24/04/81/1047240481.db2.gz YDGLSTLZNMOYDB-UHFFFAOYSA-N 1 1 307.409 4.164 20 30 DIEDMO Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@@H+]1[C@@H](C)CCC#N ZINC000839503549 1047242165 /nfs/dbraw/zinc/24/21/65/1047242165.db2.gz ALHYWINHWJDPEX-DZGCQCFKSA-N 1 1 322.884 4.330 20 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ZFYIZXKADDSJAZ-IBGZPJMESA-N 1 1 320.436 4.125 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+][C@@H](c1nccn1C)c1ccc(F)cc1F ZINC000898105283 1047321215 /nfs/dbraw/zinc/32/12/15/1047321215.db2.gz KAAWQWNTBQKLJR-RHSMWYFYSA-N 1 1 319.399 4.122 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898105282 1047321642 /nfs/dbraw/zinc/32/16/42/1047321642.db2.gz KAAWQWNTBQKLJR-PBHICJAKSA-N 1 1 319.399 4.122 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc2cnccc2o1 ZINC000651805658 1047329311 /nfs/dbraw/zinc/32/93/11/1047329311.db2.gz YFUHNODCTRCQIL-UHFFFAOYSA-N 1 1 324.428 4.184 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc2cnccc2o1 ZINC000651805658 1047329325 /nfs/dbraw/zinc/32/93/25/1047329325.db2.gz YFUHNODCTRCQIL-UHFFFAOYSA-N 1 1 324.428 4.184 20 30 DIEDMO C=C(Cl)C[N@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000726070972 1047332415 /nfs/dbraw/zinc/33/24/15/1047332415.db2.gz DJLGIWJJUKPOSP-UHFFFAOYSA-N 1 1 308.784 4.098 20 30 DIEDMO C=C(Cl)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000726070972 1047332427 /nfs/dbraw/zinc/33/24/27/1047332427.db2.gz DJLGIWJJUKPOSP-UHFFFAOYSA-N 1 1 308.784 4.098 20 30 DIEDMO Cn1c2ccc(NCc3ccc(C#N)s3)cc2[nH+]c1C(C)(C)C ZINC000537508249 1047349221 /nfs/dbraw/zinc/34/92/21/1047349221.db2.gz DHEKCAGPWRQXAM-UHFFFAOYSA-N 1 1 324.453 4.416 20 30 DIEDMO C=C(Br)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000749224183 1047401753 /nfs/dbraw/zinc/40/17/53/1047401753.db2.gz XDUPBZRLRWLHEX-UHFFFAOYSA-N 1 1 320.152 4.193 20 30 DIEDMO C=CCCn1cc(C[NH2+][C@H](c2cccc(C)c2)C(C)(C)C)nn1 ZINC000653606392 1047406648 /nfs/dbraw/zinc/40/66/48/1047406648.db2.gz GRQYZDRNQQGSAD-GOSISDBHSA-N 1 1 312.461 4.040 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCCO2 ZINC001142266705 1047419625 /nfs/dbraw/zinc/41/96/25/1047419625.db2.gz HQLLKAJXFHSROR-UHFFFAOYSA-N 1 1 323.436 4.426 20 30 DIEDMO C=CC[N@@H+](Cc1ccc2c(c1)OCCCO2)C1CCCCC1 ZINC001142274630 1047421570 /nfs/dbraw/zinc/42/15/70/1047421570.db2.gz ZAEXVVIVPAYQTK-UHFFFAOYSA-N 1 1 301.430 4.169 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)c1=S ZINC000841688040 1047441590 /nfs/dbraw/zinc/44/15/90/1047441590.db2.gz BUDOFTCXWIWBIZ-CABCVRRESA-N 1 1 322.522 4.013 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)c1=S ZINC000841688040 1047441595 /nfs/dbraw/zinc/44/15/95/1047441595.db2.gz BUDOFTCXWIWBIZ-CABCVRRESA-N 1 1 322.522 4.013 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(OCc3ccccc3F)cc2)CCC1 ZINC000841898601 1047461415 /nfs/dbraw/zinc/46/14/15/1047461415.db2.gz OSLGDKCGHZTPHW-UHFFFAOYSA-N 1 1 324.399 4.188 20 30 DIEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000537628354 1047484592 /nfs/dbraw/zinc/48/45/92/1047484592.db2.gz FORCZWRVKJFDID-GOSISDBHSA-N 1 1 300.446 4.237 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCCCC2 ZINC000537633044 1047511068 /nfs/dbraw/zinc/51/10/68/1047511068.db2.gz GKHJLIYRXXFPGY-IRXDYDNUSA-N 1 1 306.494 4.376 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121124897 1047512275 /nfs/dbraw/zinc/51/22/75/1047512275.db2.gz DUXFBMXGMVZWIC-OAHLLOKOSA-N 1 1 302.462 4.036 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+]3CCc4ccc(Cl)cc4C3)c[nH]c2c1 ZINC001142912270 1047513313 /nfs/dbraw/zinc/51/33/13/1047513313.db2.gz ZWNSPTKLEJVYKE-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2c[nH]c3cc(C#N)ccc23)cn1 ZINC001142922614 1047514399 /nfs/dbraw/zinc/51/43/99/1047514399.db2.gz NVYTWQILIHCXCG-HXUWFJFHSA-N 1 1 316.408 4.080 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cc1 ZINC001142922548 1047514520 /nfs/dbraw/zinc/51/45/20/1047514520.db2.gz LZPYTCTXJCHAOT-AWEZNQCLSA-N 1 1 319.408 4.241 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)c[nH]c2c1 ZINC001142922452 1047514735 /nfs/dbraw/zinc/51/47/35/1047514735.db2.gz IHCZRAVWJNETND-INIZCTEOSA-N 1 1 319.383 4.168 20 30 DIEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3cccs3)c[nH]c2c1 ZINC001142920822 1047514855 /nfs/dbraw/zinc/51/48/55/1047514855.db2.gz CXFQLVCKGDVRCN-QGZVFWFLSA-N 1 1 307.422 4.438 20 30 DIEDMO N#Cc1ccc2c(C[N@H+]3CC[C@H](C4CCCCC4)C3)c[nH]c2c1 ZINC001142922713 1047515157 /nfs/dbraw/zinc/51/51/57/1047515157.db2.gz RNLLTSPTSUGMIE-KRWDZBQOSA-N 1 1 307.441 4.442 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1CCCC1 ZINC000060211406 1047536021 /nfs/dbraw/zinc/53/60/21/1047536021.db2.gz MPZZSUIAKBEANS-UHFFFAOYSA-N 1 1 318.486 4.025 20 30 DIEDMO C[N@H+](CCc1ccccc1Cl)Cc1c(F)ccc(C#N)c1F ZINC001143173193 1047537213 /nfs/dbraw/zinc/53/72/13/1047537213.db2.gz QQOKIWOHWOWNBM-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1c(F)ccc(C#N)c1F ZINC001143173193 1047537218 /nfs/dbraw/zinc/53/72/18/1047537218.db2.gz QQOKIWOHWOWNBM-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCCC1 ZINC000092667182 1047537696 /nfs/dbraw/zinc/53/76/96/1047537696.db2.gz HIHBHFFPFACLPV-UHFFFAOYSA-N 1 1 322.456 4.086 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143173225 1047537977 /nfs/dbraw/zinc/53/79/77/1047537977.db2.gz 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Cc1ccc(CC#N)c(N[C@H](c2ccccc2)c2ccncc2)[nH+]1 ZINC001156095278 1047699689 /nfs/dbraw/zinc/69/96/89/1047699689.db2.gz JFPZFUOXZVLBPI-LJQANCHMSA-N 1 1 314.392 4.053 20 30 DIEDMO COc1ccc2[nH+]c(NCc3ccccc3C#N)cc(C)c2c1 ZINC001156786070 1047722814 /nfs/dbraw/zinc/72/28/14/1047722814.db2.gz VTVMCOAEDQKJPH-UHFFFAOYSA-N 1 1 303.365 4.036 20 30 DIEDMO CCCC[C@@H](CC)COCCCNc1ccc(CC#N)c(C)[nH+]1 ZINC001157340786 1047739468 /nfs/dbraw/zinc/73/94/68/1047739468.db2.gz HOMFOWPEQJBTKI-QGZVFWFLSA-N 1 1 317.477 4.491 20 30 DIEDMO C(#CC1CCN(c2cc(C3CC3)cc[nH+]2)CC1)c1ccccc1 ZINC001157528462 1047745300 /nfs/dbraw/zinc/74/53/00/1047745300.db2.gz OIBIUIDPOSLOLI-UHFFFAOYSA-N 1 1 302.421 4.227 20 30 DIEDMO C=CCN(c1[nH+]cnc2c1ccn2Cc1ccccc1)C(C)(C)C ZINC001157585176 1047746554 /nfs/dbraw/zinc/74/65/54/1047746554.db2.gz ZKJHIISSGYYRBP-UHFFFAOYSA-N 1 1 320.440 4.271 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(F)c1F ZINC000539330962 1047746814 /nfs/dbraw/zinc/74/68/14/1047746814.db2.gz 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N#Cc1ccc(F)cc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001185262213 1048154098 /nfs/dbraw/zinc/15/40/98/1048154098.db2.gz AKDVBCOISVXSFB-SFHVURJKSA-N 1 1 315.436 4.154 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001200942363 1048167623 /nfs/dbraw/zinc/16/76/23/1048167623.db2.gz OULCICDDXKPJCX-NSHGMRRFSA-N 1 1 300.490 4.231 20 30 DIEDMO Cc1ccccc1SC[C@H](C)C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC001175252031 1048194306 /nfs/dbraw/zinc/19/43/06/1048194306.db2.gz ZYTUNMCLNUOXLB-PVAVHDDUSA-N 1 1 302.487 4.347 20 30 DIEDMO CO[C@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000554820915 1048196169 /nfs/dbraw/zinc/19/61/69/1048196169.db2.gz RCDBGAQRYMYVDV-MRXNPFEDSA-N 1 1 308.853 4.289 20 30 DIEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000554820915 1048196175 /nfs/dbraw/zinc/19/61/75/1048196175.db2.gz RCDBGAQRYMYVDV-MRXNPFEDSA-N 1 1 308.853 4.289 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1Cl ZINC000554883704 1048221376 /nfs/dbraw/zinc/22/13/76/1048221376.db2.gz 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CCCCCCC[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001201777247 1048377359 /nfs/dbraw/zinc/37/73/59/1048377359.db2.gz UNZHIIWRNMCTOI-INIZCTEOSA-N 1 1 319.493 4.157 20 30 DIEDMO CCCCCCC[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001201777247 1048377370 /nfs/dbraw/zinc/37/73/70/1048377370.db2.gz UNZHIIWRNMCTOI-INIZCTEOSA-N 1 1 319.493 4.157 20 30 DIEDMO CCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001201776810 1048377410 /nfs/dbraw/zinc/37/74/10/1048377410.db2.gz MEFVWDXVBRXEBM-KRWDZBQOSA-N 1 1 320.525 4.070 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001201814256 1048377520 /nfs/dbraw/zinc/37/75/20/1048377520.db2.gz MZPZQGJFMCWOBC-QGZVFWFLSA-N 1 1 321.509 4.199 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001201814998 1048378283 /nfs/dbraw/zinc/37/82/83/1048378283.db2.gz VORVOSMXAFQILE-HXUWFJFHSA-N 1 1 320.521 4.071 20 30 DIEDMO CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001201788106 1048381279 /nfs/dbraw/zinc/38/12/79/1048381279.db2.gz 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/nfs/dbraw/zinc/44/28/26/1050442826.db2.gz IKUVSLOUGJQSHQ-LJQANCHMSA-N 1 1 324.553 4.312 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC001144073700 1050454288 /nfs/dbraw/zinc/45/42/88/1050454288.db2.gz BTQBOTDVDOALRM-UHFFFAOYSA-N 1 1 313.404 4.175 20 30 DIEDMO C=CCCC[N@@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000736583605 1050482580 /nfs/dbraw/zinc/48/25/80/1050482580.db2.gz MWQAWEPBAUCAFW-UHFFFAOYSA-N 1 1 301.459 4.079 20 30 DIEDMO C=CCCC[N@H+](C)Cn1cc(-c2ccccc2)n(C)c1=S ZINC000736583605 1050482590 /nfs/dbraw/zinc/48/25/90/1050482590.db2.gz MWQAWEPBAUCAFW-UHFFFAOYSA-N 1 1 301.459 4.079 20 30 DIEDMO Cc1nc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)c(C)s1 ZINC000594518893 1050528318 /nfs/dbraw/zinc/52/83/18/1050528318.db2.gz QKSJKRHOIAGYRT-LBPRGKRZSA-N 1 1 311.454 4.362 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000594609178 1050539717 /nfs/dbraw/zinc/53/97/17/1050539717.db2.gz HAIIEAZFVJXSJK-LJQANCHMSA-N 1 1 319.452 4.466 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)c(F)cc1[O-])C(C)(C)C ZINC001144307584 1050540318 /nfs/dbraw/zinc/54/03/18/1050540318.db2.gz ASPKKBDXEBWDHX-UHFFFAOYSA-N 1 1 316.214 4.080 20 30 DIEDMO C=CC[N@H+](Cc1cc(Br)c(F)cc1O)C(C)(C)C ZINC001144307584 1050540328 /nfs/dbraw/zinc/54/03/28/1050540328.db2.gz ASPKKBDXEBWDHX-UHFFFAOYSA-N 1 1 316.214 4.080 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)c(F)cc1O)C(C)(C)C ZINC001144307584 1050540340 /nfs/dbraw/zinc/54/03/40/1050540340.db2.gz ASPKKBDXEBWDHX-UHFFFAOYSA-N 1 1 316.214 4.080 20 30 DIEDMO Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CCC3)s2)cc1C ZINC000594605933 1050540938 /nfs/dbraw/zinc/54/09/38/1050540938.db2.gz HAWTWAOVVNMSCA-UHFFFAOYSA-N 1 1 311.454 4.210 20 30 DIEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)c(Cl)cc3C2)CC1 ZINC001171165175 1050548034 /nfs/dbraw/zinc/54/80/34/1050548034.db2.gz QVLNKJIWVGVMRB-IUODEOHRSA-N 1 1 323.267 4.476 20 30 DIEDMO C=CCCCCC[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000739885953 1050589219 /nfs/dbraw/zinc/58/92/19/1050589219.db2.gz 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C#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001144568337 1050621698 /nfs/dbraw/zinc/62/16/98/1050621698.db2.gz RIERQVDYSKMYGO-UHFFFAOYSA-N 1 1 312.416 4.265 20 30 DIEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595350268 1050623485 /nfs/dbraw/zinc/62/34/85/1050623485.db2.gz GIMCOCSZKPHRFC-CQSZACIVSA-N 1 1 321.449 4.403 20 30 DIEDMO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740840778 1050632639 /nfs/dbraw/zinc/63/26/39/1050632639.db2.gz FBSJCJBMOZTGKH-QZTJIDSGSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000740873576 1050634314 /nfs/dbraw/zinc/63/43/14/1050634314.db2.gz MLEOXKQVIZSFRX-KRWDZBQOSA-N 1 1 318.509 4.154 20 30 DIEDMO C[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622764 1050652810 /nfs/dbraw/zinc/65/28/10/1050652810.db2.gz CNPDAWORSGXIQK-KGLIPLIRSA-N 1 1 310.363 4.435 20 30 DIEDMO C[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614925 1050657374 /nfs/dbraw/zinc/65/73/74/1050657374.db2.gz 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C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001171220650 1050710787 /nfs/dbraw/zinc/71/07/87/1050710787.db2.gz DCAZCJCZUSSBPH-UTKZUKDTSA-N 1 1 304.437 4.369 20 30 DIEDMO CCCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000741592236 1050712554 /nfs/dbraw/zinc/71/25/54/1050712554.db2.gz XVGCXIJCLVZOQZ-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000741592230 1050712583 /nfs/dbraw/zinc/71/25/83/1050712583.db2.gz XVGCXIJCLVZOQZ-MSOLQXFVSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000741585233 1050713477 /nfs/dbraw/zinc/71/34/77/1050713477.db2.gz PAJNCXPJKIGTHK-ROUUACIJSA-N 1 1 310.526 4.316 20 30 DIEDMO C#CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001171222353 1050714324 /nfs/dbraw/zinc/71/43/24/1050714324.db2.gz GFPAKKSAZJVUFF-VGOFRKELSA-N 1 1 314.432 4.112 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001171224041 1050714358 /nfs/dbraw/zinc/71/43/58/1050714358.db2.gz PAROHSZLFSCNQI-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001171222372 1050714794 /nfs/dbraw/zinc/71/47/94/1050714794.db2.gz GPSFWAMEJOCHMU-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO C=CCCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1 ZINC001144797688 1050716236 /nfs/dbraw/zinc/71/62/36/1050716236.db2.gz IWIOKAHDALIOCF-KDURUIRLSA-N 1 1 320.521 4.093 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@H]1c1ccccc1 ZINC000741807987 1050742522 /nfs/dbraw/zinc/74/25/22/1050742522.db2.gz OZKKVQIEAXQXQL-LAUBAEHRSA-N 1 1 320.436 4.215 20 30 DIEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000741793858 1050743510 /nfs/dbraw/zinc/74/35/10/1050743510.db2.gz BZCHSADIFURZIQ-KBPBESRZSA-N 1 1 306.837 4.253 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000741807988 1050745460 /nfs/dbraw/zinc/74/54/60/1050745460.db2.gz OZKKVQIEAXQXQL-UTKZUKDTSA-N 1 1 320.436 4.215 20 30 DIEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000788797955 1050746775 /nfs/dbraw/zinc/74/67/75/1050746775.db2.gz ZUYFQTNILPURFV-MSOLQXFVSA-N 1 1 324.811 4.060 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246635568 1050772275 /nfs/dbraw/zinc/77/22/75/1050772275.db2.gz CQBDZAKPUGAXJT-HZPDHXFCSA-N 1 1 302.453 4.056 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246635568 1050772284 /nfs/dbraw/zinc/77/22/84/1050772284.db2.gz CQBDZAKPUGAXJT-HZPDHXFCSA-N 1 1 302.453 4.056 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000596977913 1050791460 /nfs/dbraw/zinc/79/14/60/1050791460.db2.gz PHYSZQHTXJQSGN-UHFFFAOYSA-N 1 1 320.436 4.272 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000846990970 1050792641 /nfs/dbraw/zinc/79/26/41/1050792641.db2.gz GKAWEMVJRGDRHO-HNNXBMFYSA-N 1 1 312.413 4.007 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000846995938 1050794381 /nfs/dbraw/zinc/79/43/81/1050794381.db2.gz VBAMBEWXWGCWIZ-NSHDSACASA-N 1 1 318.364 4.089 20 30 DIEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027398 1050797355 /nfs/dbraw/zinc/79/73/55/1050797355.db2.gz VGSZMHYVMNYDEO-FQEVSTJZSA-N 1 1 319.452 4.307 20 30 DIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025838 1050797735 /nfs/dbraw/zinc/79/77/35/1050797735.db2.gz DUHWEMVTFKAROS-OAHLLOKOSA-N 1 1 302.487 4.205 20 30 DIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597085177 1050807085 /nfs/dbraw/zinc/80/70/85/1050807085.db2.gz SIPKLNLJGPTFLY-BBRMVZONSA-N 1 1 322.374 4.405 20 30 DIEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088525 1050808789 /nfs/dbraw/zinc/80/87/89/1050808789.db2.gz OZVXAYGDGGJOPY-CZUORRHYSA-N 1 1 322.374 4.405 20 30 DIEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597137365 1050812084 /nfs/dbraw/zinc/81/20/84/1050812084.db2.gz GFHJQCRIIODATA-BBRMVZONSA-N 1 1 322.374 4.405 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597152960 1050813929 /nfs/dbraw/zinc/81/39/29/1050813929.db2.gz FBPUYUDAGVVCGC-OAHLLOKOSA-N 1 1 322.374 4.406 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Oc1cccnc1 ZINC000597172505 1050814645 /nfs/dbraw/zinc/81/46/45/1050814645.db2.gz BOMDMPAGIUMXQF-KRWDZBQOSA-N 1 1 321.424 4.308 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(F)F)cc1 ZINC000060467847 1050815533 /nfs/dbraw/zinc/81/55/33/1050815533.db2.gz WWGNBHVYFGVIOU-UHFFFAOYSA-N 1 1 303.352 4.476 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477394 1050816946 /nfs/dbraw/zinc/81/69/46/1050816946.db2.gz FSHCZBWYNOIYDK-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1ccc(F)cc1 ZINC000060478108 1050817739 /nfs/dbraw/zinc/81/77/39/1050817739.db2.gz RASRVTCAKATXDN-OAHLLOKOSA-N 1 1 312.388 4.159 20 30 DIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000060478804 1050818105 /nfs/dbraw/zinc/81/81/05/1050818105.db2.gz DZSCDYOCKCMHEV-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO CC(C)CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597174363 1050818783 /nfs/dbraw/zinc/81/87/83/1050818783.db2.gz PKMIIHZXJPLQSC-QGZVFWFLSA-N 1 1 300.446 4.237 20 30 DIEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000597228852 1050826081 /nfs/dbraw/zinc/82/60/81/1050826081.db2.gz HHTXHDMMKQQLBQ-HXUWFJFHSA-N 1 1 324.399 4.140 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OCc3cccc(F)c3)cc2)C1 ZINC000597228852 1050826088 /nfs/dbraw/zinc/82/60/88/1050826088.db2.gz HHTXHDMMKQQLBQ-HXUWFJFHSA-N 1 1 324.399 4.140 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1cccc(Cl)c1 ZINC000743257536 1051002111 /nfs/dbraw/zinc/00/21/11/1051002111.db2.gz HCJFHVQLJGOQKR-INIZCTEOSA-N 1 1 307.846 4.123 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743261206 1051007994 /nfs/dbraw/zinc/00/79/94/1051007994.db2.gz PXYFIPQZWAXDQB-NRFANRHFSA-N 1 1 322.452 4.121 20 30 DIEDMO Oc1ccc2ccccc2c1/C=[NH+]\CCc1nc2ccccc2[nH]1 ZINC000743334238 1051014509 /nfs/dbraw/zinc/01/45/09/1051014509.db2.gz RMMOSXFBGBFILZ-BKUYFWCQSA-N 1 1 315.376 4.083 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000773005091 1051017578 /nfs/dbraw/zinc/01/75/78/1051017578.db2.gz ODRUPUUSDSOEKD-VIFPVBQESA-N 1 1 307.793 4.413 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc(NC(C)C)cc[nH+]1 ZINC001171369407 1051019138 /nfs/dbraw/zinc/01/91/38/1051019138.db2.gz MIGXGUFOZULXCZ-CQSZACIVSA-N 1 1 312.417 4.035 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1F ZINC000791570126 1051059187 /nfs/dbraw/zinc/05/91/87/1051059187.db2.gz YSFAWRPJWWUBGH-IBGZPJMESA-N 1 1 317.379 4.077 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000743849913 1051075399 /nfs/dbraw/zinc/07/53/99/1051075399.db2.gz AZRDWUSUKGUVHK-BBRMVZONSA-N 1 1 304.821 4.007 20 30 DIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000743855212 1051076927 /nfs/dbraw/zinc/07/69/27/1051076927.db2.gz GLCUIXRYTVVREW-UHFFFAOYSA-N 1 1 322.452 4.307 20 30 DIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872204 1051084749 /nfs/dbraw/zinc/08/47/49/1051084749.db2.gz QRSIZXCIHXJROS-KXBFYZLASA-N 1 1 324.424 4.464 20 30 DIEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C1CCCCC1 ZINC000744212544 1051131898 /nfs/dbraw/zinc/13/18/98/1051131898.db2.gz HRWQYFYBUZEZKU-UHFFFAOYSA-N 1 1 312.457 4.016 20 30 DIEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(C)C)C1CCCCC1 ZINC000744212544 1051131904 /nfs/dbraw/zinc/13/19/04/1051131904.db2.gz HRWQYFYBUZEZKU-UHFFFAOYSA-N 1 1 312.457 4.016 20 30 DIEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171540931 1051153756 /nfs/dbraw/zinc/15/37/56/1051153756.db2.gz DUAVZYIVCWXZRS-CQSZACIVSA-N 1 1 322.374 4.119 20 30 DIEDMO CC[C@@H]1C[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231372 1051157665 /nfs/dbraw/zinc/15/76/65/1051157665.db2.gz AZJWUUWEUYPGQO-DLBZAZTESA-N 1 1 306.837 4.013 20 30 DIEDMO CC[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231372 1051157671 /nfs/dbraw/zinc/15/76/71/1051157671.db2.gz AZJWUUWEUYPGQO-DLBZAZTESA-N 1 1 306.837 4.013 20 30 DIEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000744427467 1051174008 /nfs/dbraw/zinc/17/40/08/1051174008.db2.gz XBGUGIWDTZBLOE-UHFFFAOYSA-N 1 1 312.461 4.121 20 30 DIEDMO CCCCCCCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000744427467 1051174014 /nfs/dbraw/zinc/17/40/14/1051174014.db2.gz XBGUGIWDTZBLOE-UHFFFAOYSA-N 1 1 312.461 4.121 20 30 DIEDMO CC(C)(S)CNc1[nH+]ccc2ccn(Cc3ccccc3)c21 ZINC001170304845 1051179911 /nfs/dbraw/zinc/17/99/11/1051179911.db2.gz DXYIDNVPDSIGAK-UHFFFAOYSA-N 1 1 311.454 4.205 20 30 DIEDMO C[C@H](Cc1ccccc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001170277214 1051181886 /nfs/dbraw/zinc/18/18/86/1051181886.db2.gz QXJWEXUVUOVIEK-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC001170308308 1051187286 /nfs/dbraw/zinc/18/72/86/1051187286.db2.gz OGXUWDBRPHGRKI-HXUWFJFHSA-N 1 1 301.540 4.360 20 30 DIEDMO C[C@]1(F)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379166 1051199321 /nfs/dbraw/zinc/19/93/21/1051199321.db2.gz RVYIJYVJSOETSG-IAFLDTSXSA-N 1 1 318.411 4.163 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001170379431 1051199350 /nfs/dbraw/zinc/19/93/50/1051199350.db2.gz YBNBBDNAFBDVDO-VIQWUECVSA-N 1 1 300.421 4.215 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001170379174 1051199510 /nfs/dbraw/zinc/19/95/10/1051199510.db2.gz RYVJODVXHQNJPL-VIQWUECVSA-N 1 1 300.421 4.215 20 30 DIEDMO C[C@H]1C[C@@H](CF)[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379369 1051200014 /nfs/dbraw/zinc/20/00/14/1051200014.db2.gz VVBLTAQBLCATOB-BARLLCKDSA-N 1 1 300.421 4.070 20 30 DIEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccccc1Cl ZINC000792927706 1051232103 /nfs/dbraw/zinc/23/21/03/1051232103.db2.gz RXIOIKVHHWKXIG-HUUCEWRRSA-N 1 1 308.853 4.288 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@H](C)COC ZINC001171917056 1051241000 /nfs/dbraw/zinc/24/10/00/1051241000.db2.gz TUDXDMXVCKQVBY-GFCCVEGCSA-N 1 1 319.392 4.321 20 30 DIEDMO C[C@@H](N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F)C(C)(C)C ZINC000793114530 1051248022 /nfs/dbraw/zinc/24/80/22/1051248022.db2.gz HQTRRMRWWKBUGP-LLVKDONJSA-N 1 1 315.383 4.130 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1 ZINC000793369112 1051290147 /nfs/dbraw/zinc/29/01/47/1051290147.db2.gz CIQKGVQMGKTURL-RDJZCZTQSA-N 1 1 300.446 4.236 20 30 DIEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946808 1051295552 /nfs/dbraw/zinc/29/55/52/1051295552.db2.gz KMLZZWXCNMTZKK-CQSZACIVSA-N 1 1 306.837 4.110 20 30 DIEDMO C=CCCCCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001170434668 1051317340 /nfs/dbraw/zinc/31/73/40/1051317340.db2.gz KZEZABXMNIMMQZ-UHFFFAOYSA-N 1 1 310.482 4.112 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+](CCC(C)C)C2CCCC2)c1=S ZINC000746065498 1051317347 /nfs/dbraw/zinc/31/73/47/1051317347.db2.gz YCIRINPBDXMKBO-UHFFFAOYSA-N 1 1 322.522 4.157 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+](CCC(C)C)C2CCCC2)c1=S ZINC000746065498 1051317361 /nfs/dbraw/zinc/31/73/61/1051317361.db2.gz YCIRINPBDXMKBO-UHFFFAOYSA-N 1 1 322.522 4.157 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000065433082 1051331111 /nfs/dbraw/zinc/33/11/11/1051331111.db2.gz FRQJZJKJXCDXEV-QGZVFWFLSA-N 1 1 308.425 4.329 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001172307627 1051335041 /nfs/dbraw/zinc/33/50/41/1051335041.db2.gz PHNVAZFYHFKJDX-GSEWJITGSA-N 1 1 308.469 4.390 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccccc1F ZINC001172307969 1051335570 /nfs/dbraw/zinc/33/55/70/1051335570.db2.gz RSJCQSUNDKPGTM-QRWLVFNGSA-N 1 1 308.400 4.465 20 30 DIEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312978 1051337829 /nfs/dbraw/zinc/33/78/29/1051337829.db2.gz NCIHMTPOSQOYFQ-KRWDZBQOSA-N 1 1 322.452 4.062 20 30 DIEDMO CC(C)c1nc(C[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172318812 1051339120 /nfs/dbraw/zinc/33/91/20/1051339120.db2.gz JGBOESFNQDNHSE-AWEZNQCLSA-N 1 1 313.470 4.201 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172317434 1051339674 /nfs/dbraw/zinc/33/96/74/1051339674.db2.gz RHBLKPADQZGKME-KKSFZXQISA-N 1 1 322.427 4.335 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001172355369 1051369555 /nfs/dbraw/zinc/36/95/55/1051369555.db2.gz NYLXWGQPRDZBOS-MRXNPFEDSA-N 1 1 306.498 4.356 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001172355369 1051369563 /nfs/dbraw/zinc/36/95/63/1051369563.db2.gz NYLXWGQPRDZBOS-MRXNPFEDSA-N 1 1 306.498 4.356 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172354519 1051370240 /nfs/dbraw/zinc/37/02/40/1051370240.db2.gz IUNIQIGZAZUOPZ-INIZCTEOSA-N 1 1 304.482 4.110 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172354519 1051370245 /nfs/dbraw/zinc/37/02/45/1051370245.db2.gz IUNIQIGZAZUOPZ-INIZCTEOSA-N 1 1 304.482 4.110 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362111 1051374835 /nfs/dbraw/zinc/37/48/35/1051374835.db2.gz SNAONYMLODRANX-FGTMMUONSA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCC[C@](CC)([NH2+][C@H](C)CCCC#N)C(=O)OCC ZINC001172487484 1051410115 /nfs/dbraw/zinc/41/01/15/1051410115.db2.gz BQNIQLZVZNOOBV-AEFFLSMTSA-N 1 1 310.482 4.341 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001172506696 1051424650 /nfs/dbraw/zinc/42/46/50/1051424650.db2.gz ZMPMQCDFVLEGES-QWHCGFSZSA-N 1 1 321.262 4.278 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501778 1051420421 /nfs/dbraw/zinc/42/04/21/1051420421.db2.gz JZCPYQZRZYQJBD-IPMKNSEASA-N 1 1 322.537 4.458 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001172503581 1051422324 /nfs/dbraw/zinc/42/23/24/1051422324.db2.gz AZJCKSFDVQNIOX-QAPCUYQASA-N 1 1 320.864 4.403 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172505061 1051422732 /nfs/dbraw/zinc/42/27/32/1051422732.db2.gz JGOODNIHTCPEPG-IEBWSBKVSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001172504537 1051423122 /nfs/dbraw/zinc/42/31/22/1051423122.db2.gz FZGAFQNCZYGLDY-ROUUACIJSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172505062 1051423985 /nfs/dbraw/zinc/42/39/85/1051423985.db2.gz JGOODNIHTCPEPG-MJGOQNOKSA-N 1 1 308.510 4.118 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001172506719 1051424077 /nfs/dbraw/zinc/42/40/77/1051424077.db2.gz ZVVRJJNJFIQLIY-KXBFYZLASA-N 1 1 300.421 4.188 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC001172506694 1051424988 /nfs/dbraw/zinc/42/49/88/1051424988.db2.gz ZMPMQCDFVLEGES-CHWSQXEVSA-N 1 1 321.262 4.278 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172508836 1051426801 /nfs/dbraw/zinc/42/68/01/1051426801.db2.gz HQNLLWUEYQRRQV-SJLPKXTDSA-N 1 1 300.446 4.032 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001168798818 1051439894 /nfs/dbraw/zinc/43/98/94/1051439894.db2.gz ITYIWTWWUHUNAN-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO Cc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)cc1C#N ZINC001168982918 1051476966 /nfs/dbraw/zinc/47/69/66/1051476966.db2.gz UKXJRPHIPUIVOM-CYBMUJFWSA-N 1 1 307.422 4.327 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001168957871 1051478864 /nfs/dbraw/zinc/47/88/64/1051478864.db2.gz JPJSNBBMLMOWLK-LJQANCHMSA-N 1 1 306.409 4.294 20 30 DIEDMO C=C(Br)C[NH2+][C@@H](CC(F)(F)F)c1ccc(C)cc1 ZINC001168969966 1051481745 /nfs/dbraw/zinc/48/17/45/1051481745.db2.gz YSOLPPBCEJCKSP-LBPRGKRZSA-N 1 1 322.168 4.487 20 30 DIEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC001169013510 1051487010 /nfs/dbraw/zinc/48/70/10/1051487010.db2.gz GSLHDHWYFYRHBX-HXUWFJFHSA-N 1 1 320.436 4.164 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172715317 1051497228 /nfs/dbraw/zinc/49/72/28/1051497228.db2.gz KBIUITIIJLVVKS-LJQANCHMSA-N 1 1 310.828 4.223 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172715317 1051497236 /nfs/dbraw/zinc/49/72/36/1051497236.db2.gz KBIUITIIJLVVKS-LJQANCHMSA-N 1 1 310.828 4.223 20 30 DIEDMO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172856122 1051541855 /nfs/dbraw/zinc/54/18/55/1051541855.db2.gz IWRBTGZOXLKNLV-XDQVBPFNSA-N 1 1 306.812 4.177 20 30 DIEDMO N#Cc1ccc(CC[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC001169223855 1051556000 /nfs/dbraw/zinc/55/60/00/1051556000.db2.gz DPTXAKLEVJRAHJ-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO N#Cc1ccc(CC[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC001169223855 1051556018 /nfs/dbraw/zinc/55/60/18/1051556018.db2.gz DPTXAKLEVJRAHJ-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C)c(C#N)c2)cc1 ZINC001216075787 1051566327 /nfs/dbraw/zinc/56/63/27/1051566327.db2.gz DNJWABXGHYZYTK-UHFFFAOYSA-N 1 1 302.381 4.164 20 30 DIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC001169285901 1051572259 /nfs/dbraw/zinc/57/22/59/1051572259.db2.gz ZQLIXJTWNFEADT-LPHOPBHVSA-N 1 1 300.446 4.228 20 30 DIEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178510125 1051577475 /nfs/dbraw/zinc/57/74/75/1051577475.db2.gz HNVJUSOPDZXAIT-LJQANCHMSA-N 1 1 307.441 4.163 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC001169451335 1051616996 /nfs/dbraw/zinc/61/69/96/1051616996.db2.gz HPKDYWBOYYBVIM-MSOLQXFVSA-N 1 1 309.494 4.197 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001169865053 1051721622 /nfs/dbraw/zinc/72/16/22/1051721622.db2.gz XFDBACITBSUHFZ-WFASDCNBSA-N 1 1 300.229 4.067 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(NC23CCC(C#N)(CC2)CC3)nc1 ZINC001169747820 1051685697 /nfs/dbraw/zinc/68/56/97/1051685697.db2.gz GCUMQUAGVNYJJA-KKXNLOMOSA-N 1 1 324.472 4.267 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)C2CCC(CC#N)CC2)c1 ZINC001173337543 1051697644 /nfs/dbraw/zinc/69/76/44/1051697644.db2.gz NYQYIYBYMQQXIQ-UHFFFAOYSA-N 1 1 300.446 4.032 20 30 DIEDMO N#CCC1CCC([N@@H+]2Cc3cccc(Br)c3C2)CC1 ZINC001173338700 1051698530 /nfs/dbraw/zinc/69/85/30/1051698530.db2.gz HMCFSIPZUWXWGK-UHFFFAOYSA-N 1 1 319.246 4.237 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1ccc(C#N)cc1 ZINC000766844178 1051706053 /nfs/dbraw/zinc/70/60/53/1051706053.db2.gz OOKOLWGOWCVMPT-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843499 1051711134 /nfs/dbraw/zinc/71/11/34/1051711134.db2.gz FKETYCBAIJXPSD-MOPGFXCFSA-N 1 1 301.474 4.047 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845157 1051710748 /nfs/dbraw/zinc/71/07/48/1051710748.db2.gz SOZMBWMQENENDO-HNNXBMFYSA-N 1 1 307.459 4.101 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Oc3ccccc3)C2)CC1 ZINC001173319897 1051712329 /nfs/dbraw/zinc/71/23/29/1051712329.db2.gz AEEGJWINZIMYMT-AFMYVXGZSA-N 1 1 315.457 4.044 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152547202 1051722920 /nfs/dbraw/zinc/72/29/20/1051722920.db2.gz JVQNEASBTTWAHA-CYBMUJFWSA-N 1 1 319.836 4.273 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000152547202 1051722930 /nfs/dbraw/zinc/72/29/30/1051722930.db2.gz JVQNEASBTTWAHA-CYBMUJFWSA-N 1 1 319.836 4.273 20 30 DIEDMO N#CCC[N@@H+]([C@H]1CCCC2(C1)OCCO2)C1CCCCCCC1 ZINC001169949230 1051733999 /nfs/dbraw/zinc/73/39/99/1051733999.db2.gz MIGRDZQEGFMQDG-SFHVURJKSA-N 1 1 320.477 4.001 20 30 DIEDMO C#CCCC[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21 ZINC000766901531 1051734734 /nfs/dbraw/zinc/73/47/34/1051734734.db2.gz ZZCGZTYPEUNDIH-CQSZACIVSA-N 1 1 324.287 4.331 20 30 DIEDMO C#CCCC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000766896621 1051738827 /nfs/dbraw/zinc/73/88/27/1051738827.db2.gz VLGUMZZZKRYUTA-CQSZACIVSA-N 1 1 313.363 4.128 20 30 DIEDMO Cc1ccc(O[C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)cc1 ZINC001173596110 1051757356 /nfs/dbraw/zinc/75/73/56/1051757356.db2.gz JYQXRUFHJCIHTG-SYYJFZTOSA-N 1 1 312.457 4.311 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186339499 1051809965 /nfs/dbraw/zinc/80/99/65/1051809965.db2.gz OLVWANNPKAUEPO-UHFFFAOYSA-N 1 1 316.445 4.093 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186339499 1051809973 /nfs/dbraw/zinc/80/99/73/1051809973.db2.gz OLVWANNPKAUEPO-UHFFFAOYSA-N 1 1 316.445 4.093 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000187368991 1051842591 /nfs/dbraw/zinc/84/25/91/1051842591.db2.gz QLOONYCRANIINP-QGZVFWFLSA-N 1 1 318.323 4.280 20 30 DIEDMO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)CCc1ccccc1 ZINC000767827918 1051856295 /nfs/dbraw/zinc/85/62/95/1051856295.db2.gz JRUZKRIDSLZAGH-UHFFFAOYSA-N 1 1 321.424 4.119 20 30 DIEDMO CCCC[C@H](C)[N@@H+](CCCC)C[C@@H](O)c1ccc(C#N)cc1 ZINC001170520620 1051886335 /nfs/dbraw/zinc/88/63/35/1051886335.db2.gz YGBRTDWPGBYLHS-QFBILLFUSA-N 1 1 302.462 4.272 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000768162787 1051890313 /nfs/dbraw/zinc/89/03/13/1051890313.db2.gz ILGBSYNFRPLDKX-MRXNPFEDSA-N 1 1 308.425 4.172 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1 ZINC000768194120 1051902212 /nfs/dbraw/zinc/90/22/12/1051902212.db2.gz ZZTNBFMPGLAJRN-KKSFZXQISA-N 1 1 320.436 4.487 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OCC)cc1O ZINC000768197039 1051904267 /nfs/dbraw/zinc/90/42/67/1051904267.db2.gz HSXGSVTZNSTIJF-UHFFFAOYSA-N 1 1 303.427 4.041 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768335282 1051919354 /nfs/dbraw/zinc/91/93/54/1051919354.db2.gz LDYKUTGQFKNTLT-QGZVFWFLSA-N 1 1 308.425 4.308 20 30 DIEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1C)C(C)C ZINC000768547758 1051945095 /nfs/dbraw/zinc/94/50/95/1051945095.db2.gz OHQYOTXIAJSFHY-UHFFFAOYSA-N 1 1 301.409 4.025 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768661982 1051950136 /nfs/dbraw/zinc/95/01/36/1051950136.db2.gz NECBTYZBJQJAKM-UHFFFAOYSA-N 1 1 320.436 4.247 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC000768765473 1051957753 /nfs/dbraw/zinc/95/77/53/1051957753.db2.gz SWQMCIHDJTVGOH-UHFFFAOYSA-N 1 1 302.365 4.423 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(SC(F)(F)F)cc1 ZINC000768765473 1051957762 /nfs/dbraw/zinc/95/77/62/1051957762.db2.gz SWQMCIHDJTVGOH-UHFFFAOYSA-N 1 1 302.365 4.423 20 30 DIEDMO N#Cc1c(Br)cccc1Nc1cc[nH+]c2ccccc12 ZINC001174040029 1051961785 /nfs/dbraw/zinc/96/17/85/1051961785.db2.gz OJROVAMMSMVEDD-UHFFFAOYSA-N 1 1 324.181 4.034 20 30 DIEDMO C=C(C)C[NH2+][C@H](c1cccc(OC)c1)c1cc(F)ccc1OC ZINC000747475476 1051998984 /nfs/dbraw/zinc/99/89/84/1051998984.db2.gz DLHJYWHIAYMUQW-LJQANCHMSA-N 1 1 315.388 4.098 20 30 DIEDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769234540 1052010694 /nfs/dbraw/zinc/01/06/94/1052010694.db2.gz UKAKFIJEUIFXHE-MJGOQNOKSA-N 1 1 320.436 4.275 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000769379143 1052035016 /nfs/dbraw/zinc/03/50/16/1052035016.db2.gz JPTJAIAEIDKLRG-WBVHZDCISA-N 1 1 324.399 4.106 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000769428992 1052047511 /nfs/dbraw/zinc/04/75/11/1052047511.db2.gz XWQQBKZDAFXVHL-OAQYLSRUSA-N 1 1 323.484 4.359 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC000769427281 1052048027 /nfs/dbraw/zinc/04/80/27/1052048027.db2.gz XGPMBXQXTIAIPJ-CABCVRRESA-N 1 1 324.399 4.236 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc1 ZINC000769427281 1052048039 /nfs/dbraw/zinc/04/80/39/1052048039.db2.gz XGPMBXQXTIAIPJ-CABCVRRESA-N 1 1 324.399 4.236 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000769394735 1052050113 /nfs/dbraw/zinc/05/01/13/1052050113.db2.gz CJFUFZXSIBZOAH-MAUKXSAKSA-N 1 1 324.399 4.106 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCC(C)(C)CC2)cc1 ZINC000769448477 1052055289 /nfs/dbraw/zinc/05/52/89/1052055289.db2.gz RYZWJODKUPVDBB-OAHLLOKOSA-N 1 1 300.446 4.378 20 30 DIEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000769505714 1052068061 /nfs/dbraw/zinc/06/80/61/1052068061.db2.gz LVEFVJWQDZLQEH-FUHWJXTLSA-N 1 1 300.446 4.236 20 30 DIEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769506265 1052069984 /nfs/dbraw/zinc/06/99/84/1052069984.db2.gz GHCWSMMMHUETDB-JTDSTZFVSA-N 1 1 300.446 4.378 20 30 DIEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769536612 1052076859 /nfs/dbraw/zinc/07/68/59/1052076859.db2.gz BXCXUXSQCHUEQT-WMZOPIPTSA-N 1 1 300.446 4.378 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(-c2ccco2)on1 ZINC000195725154 1052084781 /nfs/dbraw/zinc/08/47/81/1052084781.db2.gz LUXNADOAOVSQRN-UHFFFAOYSA-N 1 1 308.381 4.165 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(-c2ccco2)on1 ZINC000195725154 1052084792 /nfs/dbraw/zinc/08/47/92/1052084792.db2.gz LUXNADOAOVSQRN-UHFFFAOYSA-N 1 1 308.381 4.165 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000769952217 1052128497 /nfs/dbraw/zinc/12/84/97/1052128497.db2.gz DLDLHWGABLDLKF-LSDHHAIUSA-N 1 1 324.399 4.236 20 30 DIEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(-c3ccccc3)cc2)o1 ZINC001217757273 1052134155 /nfs/dbraw/zinc/13/41/55/1052134155.db2.gz IIRKXFVFLKLUNT-SFHVURJKSA-N 1 1 317.392 4.207 20 30 DIEDMO Cc1cccc([C@H](C)[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761762970 1052158160 /nfs/dbraw/zinc/15/81/60/1052158160.db2.gz YQEVIPILAIBHQP-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1cccc([C@H](C)[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000761762970 1052158170 /nfs/dbraw/zinc/15/81/70/1052158170.db2.gz YQEVIPILAIBHQP-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO CCCCCCC[C@H](CCC)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217897223 1052167603 /nfs/dbraw/zinc/16/76/03/1052167603.db2.gz OFCGBJLDULRWSZ-IRXDYDNUSA-N 1 1 315.498 4.203 20 30 DIEDMO CCCCCCC[C@@H](CCC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217897221 1052167968 /nfs/dbraw/zinc/16/79/68/1052167968.db2.gz OFCGBJLDULRWSZ-IAGOWNOFSA-N 1 1 315.498 4.203 20 30 DIEDMO Cc1[nH+]c(C=NNc2cccc(C(F)(F)F)c2)c2ccccn12 ZINC000914601071 1052188379 /nfs/dbraw/zinc/18/83/79/1052188379.db2.gz HLWJBSOOOSTTAG-UHFFFAOYSA-N 1 1 318.302 4.108 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2scnc2C2CC2)C2CC2)cc1 ZINC000495078626 1052211407 /nfs/dbraw/zinc/21/14/07/1052211407.db2.gz KODXVGMHCFHOLE-UHFFFAOYSA-N 1 1 309.438 4.057 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2scnc2C2CC2)C2CC2)cc1 ZINC000495078626 1052211412 /nfs/dbraw/zinc/21/14/12/1052211412.db2.gz KODXVGMHCFHOLE-UHFFFAOYSA-N 1 1 309.438 4.057 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)cc1 ZINC000780399329 1052216163 /nfs/dbraw/zinc/21/61/63/1052216163.db2.gz JGPLACBTUNNXEN-OJLWIZQOSA-N 1 1 318.420 4.267 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000495147240 1052234802 /nfs/dbraw/zinc/23/48/02/1052234802.db2.gz JDCNZILBMVVSPW-UHFFFAOYSA-N 1 1 321.424 4.209 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000495204398 1052252175 /nfs/dbraw/zinc/25/21/75/1052252175.db2.gz YTCYMLXLKRWICV-CQSZACIVSA-N 1 1 316.470 4.092 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000495204398 1052252187 /nfs/dbraw/zinc/25/21/87/1052252187.db2.gz YTCYMLXLKRWICV-CQSZACIVSA-N 1 1 316.470 4.092 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)Cc1ccsc1 ZINC000495191624 1052253258 /nfs/dbraw/zinc/25/32/58/1052253258.db2.gz HJCKRYYIMUZXKA-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000495244820 1052269756 /nfs/dbraw/zinc/26/97/56/1052269756.db2.gz XQJOWXTVGXMYGZ-AWEZNQCLSA-N 1 1 314.454 4.081 20 30 DIEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000495433673 1052345840 /nfs/dbraw/zinc/34/58/40/1052345840.db2.gz PEVWTZYATOHJOV-JPLJXNOCSA-N 1 1 300.490 4.087 20 30 DIEDMO CC(C)(C)[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccc(F)cc1F ZINC001168497090 1052460529 /nfs/dbraw/zinc/46/05/29/1052460529.db2.gz KZWWIKDUKSOCBB-QGZVFWFLSA-N 1 1 315.367 4.108 20 30 DIEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000153697675 1052469919 /nfs/dbraw/zinc/46/99/19/1052469919.db2.gz FHZCJRKLZJJMDO-QGZVFWFLSA-N 1 1 308.425 4.042 20 30 DIEDMO 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CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2OC)nc1 ZINC001236535922 1055166760 /nfs/dbraw/zinc/16/67/60/1055166760.db2.gz HOZMNEXSGYEAIU-IBGZPJMESA-N 1 1 321.424 4.176 20 30 DIEDMO CCCCCCCOc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1 ZINC001236605851 1055203679 /nfs/dbraw/zinc/20/36/79/1055203679.db2.gz VSLHZOQQVJEEKF-HXUWFJFHSA-N 1 1 318.505 4.207 20 30 DIEDMO C=CC[N@@H+](Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC001236671135 1055222960 /nfs/dbraw/zinc/22/29/60/1055222960.db2.gz SLHWCGDLQXYJCM-UHFFFAOYSA-N 1 1 312.251 4.250 20 30 DIEDMO C=CC[N@H+](Cc1cc(C)cc(Br)c1O)C(C)(C)C ZINC001236671135 1055222969 /nfs/dbraw/zinc/22/29/69/1055222969.db2.gz SLHWCGDLQXYJCM-UHFFFAOYSA-N 1 1 312.251 4.250 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236756709 1055250685 /nfs/dbraw/zinc/25/06/85/1055250685.db2.gz PIDYXTDIMNPFMY-UHFFFAOYSA-N 1 1 309.450 4.202 20 30 DIEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000764941034 1055295273 /nfs/dbraw/zinc/29/52/73/1055295273.db2.gz 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CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237466203 1055455794 /nfs/dbraw/zinc/45/57/94/1055455794.db2.gz KXFYWFDQRWSIGM-UHFFFAOYSA-N 1 1 303.409 4.072 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)Cc2ccccc21 ZINC001237466999 1055455982 /nfs/dbraw/zinc/45/59/82/1055455982.db2.gz QIQCVLLLQNVFLI-OAHLLOKOSA-N 1 1 315.420 4.169 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc1C ZINC001237473278 1055459454 /nfs/dbraw/zinc/45/94/54/1055459454.db2.gz VJUARJMLIWVEIT-UHFFFAOYSA-N 1 1 317.436 4.299 20 30 DIEDMO CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1cccc(F)c1 ZINC001237473774 1055459585 /nfs/dbraw/zinc/45/95/85/1055459585.db2.gz UZQCWUGLEGNPLC-UHFFFAOYSA-N 1 1 321.399 4.211 20 30 DIEDMO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c2cc(C#N)ccc21 ZINC001237470076 1055459715 /nfs/dbraw/zinc/45/97/15/1055459715.db2.gz UAFQBRFBGPRRJE-UHFFFAOYSA-N 1 1 323.827 4.335 20 30 DIEDMO N#Cc1cc(C[NH+]2CCC(c3cccs3)CC2)c(F)cc1F ZINC001237525768 1055466351 /nfs/dbraw/zinc/46/63/51/1055466351.db2.gz 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N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000311631995 1056743233 /nfs/dbraw/zinc/74/32/33/1056743233.db2.gz PBAJGRCFBVLLCE-MLGOLLRUSA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000311631995 1056743247 /nfs/dbraw/zinc/74/32/47/1056743247.db2.gz PBAJGRCFBVLLCE-MLGOLLRUSA-N 1 1 319.246 4.085 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001617282925 1056807312 /nfs/dbraw/zinc/80/73/12/1056807312.db2.gz GOLYLGMUMAWBSU-MRXNPFEDSA-N 1 1 312.498 4.192 20 30 DIEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001617302888 1056809801 /nfs/dbraw/zinc/80/98/01/1056809801.db2.gz PGYBUVKWLNAFOE-UHFFFAOYSA-N 1 1 310.828 4.387 20 30 DIEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(C#N)cc1Cl)CC2 ZINC001617302888 1056809812 /nfs/dbraw/zinc/80/98/12/1056809812.db2.gz PGYBUVKWLNAFOE-UHFFFAOYSA-N 1 1 310.828 4.387 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCC1(C)C ZINC001617604209 1056856111 /nfs/dbraw/zinc/85/61/11/1056856111.db2.gz 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DIEDMO N#CC1CC[NH+](Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000123654966 1057026501 /nfs/dbraw/zinc/02/65/01/1057026501.db2.gz XCXOGFJZYDQPDR-UHFFFAOYSA-N 1 1 323.421 4.292 20 30 DIEDMO COc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1CC#N ZINC001241503905 1057072774 /nfs/dbraw/zinc/07/27/74/1057072774.db2.gz IKWVZMMVUISYCC-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO N#Cc1c[nH]c2cc(C3=CC[N@@H+](Cc4ccccc4)CC3)ccc12 ZINC001241504215 1057073195 /nfs/dbraw/zinc/07/31/95/1057073195.db2.gz BWIZMPAAQNCQBI-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#CCCc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241503878 1057073294 /nfs/dbraw/zinc/07/32/94/1057073294.db2.gz HTDXIVHSKGCNDC-UHFFFAOYSA-N 1 1 302.421 4.432 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000156310310 1057076608 /nfs/dbraw/zinc/07/66/08/1057076608.db2.gz DGGMQYIEXUIGPB-OAHLLOKOSA-N 1 1 319.408 4.022 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241654942 1057123555 /nfs/dbraw/zinc/12/35/55/1057123555.db2.gz IOCLCAMMRJIBJY-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO Cc1ccc(CCC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000028802154 1057126427 /nfs/dbraw/zinc/12/64/27/1057126427.db2.gz SZZBADJPQHXNNH-HXUWFJFHSA-N 1 1 309.457 4.083 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000625700506 1057192407 /nfs/dbraw/zinc/19/24/07/1057192407.db2.gz JFEXRXBZDXPJSP-KRWDZBQOSA-N 1 1 308.425 4.059 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(-c3ccccc3OC)n2)C1 ZINC000625702166 1057192840 /nfs/dbraw/zinc/19/28/40/1057192840.db2.gz DOHCAXYNSUWDDQ-CQSZACIVSA-N 1 1 314.454 4.217 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 ZINC000171982745 1057245419 /nfs/dbraw/zinc/24/54/19/1057245419.db2.gz PJTYJOZZUJYVOC-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C#Cc1ccc(-c2ncc(C3=CC[N@@H+](CC)CC3)cc2C)cc1 ZINC001242293291 1057324021 /nfs/dbraw/zinc/32/40/21/1057324021.db2.gz DFPCJNBGOZCKSN-UHFFFAOYSA-N 1 1 302.421 4.147 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(C3=CC(=O)CC(C)(C)C3)c(C)c2)CC1 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CC(C)c1csc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611393766 1057596335 /nfs/dbraw/zinc/59/63/35/1057596335.db2.gz WGIKFQJDUFSFCI-INIZCTEOSA-N 1 1 311.454 4.305 20 30 DIEDMO C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000611483525 1057604009 /nfs/dbraw/zinc/60/40/09/1057604009.db2.gz IKNNJFHMEVWRAZ-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO CCCC[N@H+]1Cc2cccc(N=Cc3cc(OC)ccc3O)c2C1 ZINC000727265504 1057645321 /nfs/dbraw/zinc/64/53/21/1057645321.db2.gz RUBYFLAGGLKDJM-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212045 1057737088 /nfs/dbraw/zinc/73/70/88/1057737088.db2.gz PHRGBOYJQZUGJS-UHFFFAOYSA-N 1 1 312.388 4.140 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211874 1057737350 /nfs/dbraw/zinc/73/73/50/1057737350.db2.gz GEHQECYMPKUXRW-UHFFFAOYSA-N 1 1 314.816 4.264 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000731210541 1057737432 /nfs/dbraw/zinc/73/74/32/1057737432.db2.gz 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C=CC[N@H+](C[C@H](O)c1c(F)cccc1F)CC1CCCCC1 ZINC000732668342 1057782789 /nfs/dbraw/zinc/78/27/89/1057782789.db2.gz YQZVWKPBUUCFBA-KRWDZBQOSA-N 1 1 309.400 4.067 20 30 DIEDMO CC(C)C[N@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000733308489 1057811268 /nfs/dbraw/zinc/81/12/68/1057811268.db2.gz KPHJSFXLHNSKHE-UHFFFAOYSA-N 1 1 311.429 4.328 20 30 DIEDMO CC(C)C[N@@H+](Cc1ncc(C(C)C)o1)Cc1ccc(C#N)cc1 ZINC000733308489 1057811273 /nfs/dbraw/zinc/81/12/73/1057811273.db2.gz KPHJSFXLHNSKHE-UHFFFAOYSA-N 1 1 311.429 4.328 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244084721 1057863918 /nfs/dbraw/zinc/86/39/18/1057863918.db2.gz LDQKCHWGFDIINJ-HXUWFJFHSA-N 1 1 320.440 4.139 20 30 DIEDMO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)cc1C#N ZINC001244481315 1057971529 /nfs/dbraw/zinc/97/15/29/1057971529.db2.gz AHPMTERILIAPAU-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO CCc1cc(-c2ccc([C@@H]3CCCC[N@H+]3C)cn2)ccc1C#N ZINC001244952313 1058079960 /nfs/dbraw/zinc/07/99/60/1058079960.db2.gz 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ZINC001557476015 1058754109 /nfs/dbraw/zinc/75/41/09/1058754109.db2.gz SNKUDUXHHDEKEE-SFHVURJKSA-N 1 1 318.505 4.036 20 30 DIEDMO C=C[C@@H]([NH2+][C@H]1CCN[C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485923 1058962956 /nfs/dbraw/zinc/96/29/56/1058962956.db2.gz BSUZRYPUCNPNIJ-TYPHKJRUSA-N 1 1 324.443 4.444 20 30 DIEDMO C[NH2+]CC[C@@H](C)N(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888031 1059156385 /nfs/dbraw/zinc/15/63/85/1059156385.db2.gz QIRSZTLCXJZBJE-MSOLQXFVSA-N 1 1 321.468 4.119 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922070 1059175891 /nfs/dbraw/zinc/17/58/91/1059175891.db2.gz UXRAVSUBOOUNQG-SJLPKXTDSA-N 1 1 304.453 4.214 20 30 DIEDMO N#Cc1c(F)cccc1S[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001559419019 1059221106 /nfs/dbraw/zinc/22/11/06/1059221106.db2.gz RMBWFWQNJHUNIX-OAHLLOKOSA-N 1 1 312.413 4.064 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](OC)C1CCCCC1 ZINC001559493153 1059270942 /nfs/dbraw/zinc/27/09/42/1059270942.db2.gz 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Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC001559527689 1059323826 /nfs/dbraw/zinc/32/38/26/1059323826.db2.gz KILXACUKAJXLGL-IBGZPJMESA-N 1 1 304.437 4.321 20 30 DIEDMO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)CC1CCCCC1 ZINC001559538079 1059339653 /nfs/dbraw/zinc/33/96/53/1059339653.db2.gz OUFQBGPFEXIXTH-UHFFFAOYSA-N 1 1 312.457 4.395 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1C[C@H](OCC)C1(C)C ZINC001559550791 1059360763 /nfs/dbraw/zinc/36/07/63/1059360763.db2.gz RKZFGFFHFKRVLQ-OALUTQOASA-N 1 1 314.473 4.016 20 30 DIEDMO CC[C@H](OCC[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC001559553262 1059363201 /nfs/dbraw/zinc/36/32/01/1059363201.db2.gz AGOXAQYCKFXDLM-SFHVURJKSA-N 1 1 302.462 4.416 20 30 DIEDMO CC[C@H](OCC[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC001559553262 1059363222 /nfs/dbraw/zinc/36/32/22/1059363222.db2.gz AGOXAQYCKFXDLM-SFHVURJKSA-N 1 1 302.462 4.416 20 30 DIEDMO Cc1c(Br)cccc1C[N@@H+](CCC#N)CC(C)C ZINC001559553565 1059366090 /nfs/dbraw/zinc/36/60/90/1059366090.db2.gz GYBFRDSVVOBLFF-UHFFFAOYSA-N 1 1 309.251 4.129 20 30 DIEDMO Cc1c(Br)cccc1C[N@H+](CCC#N)CC(C)C ZINC001559553565 1059366111 /nfs/dbraw/zinc/36/61/11/1059366111.db2.gz GYBFRDSVVOBLFF-UHFFFAOYSA-N 1 1 309.251 4.129 20 30 DIEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC001559571813 1059402534 /nfs/dbraw/zinc/40/25/34/1059402534.db2.gz DMIOFNAPUYKVIE-UHFFFAOYSA-N 1 1 308.372 4.172 20 30 DIEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001559576683 1059409071 /nfs/dbraw/zinc/40/90/71/1059409071.db2.gz ITJHUAHKRWLKIU-LJQANCHMSA-N 1 1 312.457 4.028 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001559577222 1059412501 /nfs/dbraw/zinc/41/25/01/1059412501.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 1 1 312.501 4.331 20 30 DIEDMO C=CCCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001559577222 1059412503 /nfs/dbraw/zinc/41/25/03/1059412503.db2.gz ARFDXCPDVJJCPA-NRFANRHFSA-N 1 1 312.501 4.331 20 30 DIEDMO COc1ccc(C[C@@H]2CC[N@H+]2CCCCC2(C#N)CCC2)cc1 ZINC001559593263 1059427461 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CC[N@@H+](CCC#N)Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001249442545 1060251310 /nfs/dbraw/zinc/25/13/10/1060251310.db2.gz SQRINIFJDYQYRP-UHFFFAOYSA-N 1 1 307.441 4.155 20 30 DIEDMO CCSc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001249437951 1060251748 /nfs/dbraw/zinc/25/17/48/1060251748.db2.gz KTRHLSCOVVPPGD-UHFFFAOYSA-N 1 1 308.450 4.229 20 30 DIEDMO C=CC(C)(C)CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001526549827 1060253703 /nfs/dbraw/zinc/25/37/03/1060253703.db2.gz ZZYPXULDKKKHKH-MRXNPFEDSA-N 1 1 314.473 4.459 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]c2nc(Cl)nc(Cl)c12)C(C)(C)C ZINC001249471168 1060255843 /nfs/dbraw/zinc/25/58/43/1060255843.db2.gz CAVVCWCYMCCIKG-UHFFFAOYSA-N 1 1 313.232 4.003 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC001249519499 1060272228 /nfs/dbraw/zinc/27/22/28/1060272228.db2.gz IQEPPAPMRWWICY-UHFFFAOYSA-N 1 1 322.250 4.114 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2csc(-c3ccc(C)cc3)n2)cc1 ZINC001560478187 1060269405 /nfs/dbraw/zinc/26/94/05/1060269405.db2.gz 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C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC001462160203 1060982057 /nfs/dbraw/zinc/98/20/57/1060982057.db2.gz CCMFWWFXKUNULC-MRXNPFEDSA-N 1 1 302.418 4.490 20 30 DIEDMO CCC#C[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234997 1061011225 /nfs/dbraw/zinc/01/12/25/1061011225.db2.gz ZXDDPASZKAQRHG-ZBFHGGJFSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234997 1061011244 /nfs/dbraw/zinc/01/12/44/1061011244.db2.gz ZXDDPASZKAQRHG-ZBFHGGJFSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001473258177 1061034208 /nfs/dbraw/zinc/03/42/08/1061034208.db2.gz DETIEIIKZFSVFE-ZDUSSCGKSA-N 1 1 321.262 4.333 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260048 1061035185 /nfs/dbraw/zinc/03/51/85/1061035185.db2.gz PRPYIWGAZUACPU-RBUKOAKNSA-N 1 1 317.448 4.093 20 30 DIEDMO CCC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001473258176 1061035502 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CCC[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252789588 1061717774 /nfs/dbraw/zinc/71/77/74/1061717774.db2.gz MWRSOEWAQNNRDA-DYESRHJHSA-N 1 1 322.452 4.282 20 30 DIEDMO CCC[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252789599 1061719548 /nfs/dbraw/zinc/71/95/48/1061719548.db2.gz MWRSOEWAQNNRDA-LAUBAEHRSA-N 1 1 322.452 4.282 20 30 DIEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCCCCC1 ZINC001252846539 1061740754 /nfs/dbraw/zinc/74/07/54/1061740754.db2.gz OSCCKMWPRVSUPZ-LJQANCHMSA-N 1 1 318.436 4.188 20 30 DIEDMO C=CC[C@@H](Cc1ccccc1)Nc1[nH+]cnc2[nH]cc(CC)c21 ZINC001458437270 1061762839 /nfs/dbraw/zinc/76/28/39/1061762839.db2.gz XIQIZGCTPUMPPP-INIZCTEOSA-N 1 1 306.413 4.120 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252980170 1061768487 /nfs/dbraw/zinc/76/84/87/1061768487.db2.gz QSALEKLMLMCZKT-KSZLIROESA-N 1 1 309.494 4.074 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252980169 1061770482 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C=CCCCCCC[C@@H](O)C[N@@H+](CCC)CCc1ccccn1 ZINC001253240996 1061840312 /nfs/dbraw/zinc/84/03/12/1061840312.db2.gz QKDVWNRFVSHTTO-HXUWFJFHSA-N 1 1 318.505 4.224 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001253241275 1061840597 /nfs/dbraw/zinc/84/05/97/1061840597.db2.gz SPPSUAGCUJKKEA-PMACEKPBSA-N 1 1 316.489 4.414 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001253243292 1061840655 /nfs/dbraw/zinc/84/06/55/1061840655.db2.gz UDRXQGLSINYGSX-QZTJIDSGSA-N 1 1 321.505 4.098 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCC(=O)c1cccs1 ZINC001253241691 1061842419 /nfs/dbraw/zinc/84/24/19/1061842419.db2.gz ZQBSWHPTYIFHJP-MRXNPFEDSA-N 1 1 323.502 4.140 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)cc1 ZINC001474311101 1061882173 /nfs/dbraw/zinc/88/21/73/1061882173.db2.gz STJHEVRLADYLOX-QGZVFWFLSA-N 1 1 310.466 4.383 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2CC)cc1OC ZINC001474310994 1061883765 /nfs/dbraw/zinc/88/37/65/1061883765.db2.gz 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ZINC001474385412 1062033117 /nfs/dbraw/zinc/03/31/17/1062033117.db2.gz DMQHFQZMXYTWMV-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)c(F)c1 ZINC001254144484 1062034319 /nfs/dbraw/zinc/03/43/19/1062034319.db2.gz DKJDMJKDFTUZOJ-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO N#Cc1ccc(C[N@H+](C/C=C\c2ccc(F)cc2)C2CC2)cc1 ZINC001474390240 1062042196 /nfs/dbraw/zinc/04/21/96/1062042196.db2.gz UBPQEPLHYGQDGJ-UPHRSURJSA-N 1 1 306.384 4.375 20 30 DIEDMO Cc1cc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)ccc1C#N ZINC001474415135 1062080889 /nfs/dbraw/zinc/08/08/89/1062080889.db2.gz URXOHQOIUSGCJM-UHFFFAOYSA-N 1 1 319.452 4.097 20 30 DIEDMO CCC[N@@H+](CCc1c(F)cccc1F)Cc1ccc(C#N)cc1 ZINC001459309346 1062082207 /nfs/dbraw/zinc/08/22/07/1062082207.db2.gz KORLAVWXOSTFRM-UHFFFAOYSA-N 1 1 314.379 4.291 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001254353254 1062085071 /nfs/dbraw/zinc/08/50/71/1062085071.db2.gz XZHZJTWPQSSAAR-IVMQYODDSA-N 1 1 318.411 4.354 20 30 DIEDMO C[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353291 1062085429 /nfs/dbraw/zinc/08/54/29/1062085429.db2.gz YSQNMQYZWZCILK-VNCLNFNDSA-N 1 1 300.421 4.262 20 30 DIEDMO CC[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356316 1062085798 /nfs/dbraw/zinc/08/57/98/1062085798.db2.gz OLEVKSSYGYTINS-LMDPOFIKSA-N 1 1 300.421 4.404 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001254353070 1062085875 /nfs/dbraw/zinc/08/58/75/1062085875.db2.gz OZXVPTFLMJQNJN-LMDPOFIKSA-N 1 1 318.411 4.354 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC001254388779 1062092248 /nfs/dbraw/zinc/09/22/48/1062092248.db2.gz IKMVAHHVHOYDLN-DYESRHJHSA-N 1 1 320.436 4.300 20 30 DIEDMO C#CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC001459342847 1062097774 /nfs/dbraw/zinc/09/77/74/1062097774.db2.gz GMAFAEIMOGIHFW-NRFANRHFSA-N 1 1 319.835 4.314 20 30 DIEDMO C#CC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCc2ccccc21 ZINC001459342847 1062097791 /nfs/dbraw/zinc/09/77/91/1062097791.db2.gz GMAFAEIMOGIHFW-NRFANRHFSA-N 1 1 319.835 4.314 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC001459339716 1062099093 /nfs/dbraw/zinc/09/90/93/1062099093.db2.gz AEQZARQLVHDIKR-LJQANCHMSA-N 1 1 315.457 4.175 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459345214 1062100951 /nfs/dbraw/zinc/10/09/51/1062100951.db2.gz DPNDTTOYJBWTBV-QAPCUYQASA-N 1 1 300.446 4.289 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCCC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459345229 1062101902 /nfs/dbraw/zinc/10/19/02/1062101902.db2.gz DPNDTTOYJBWTBV-YJBOKZPZSA-N 1 1 300.446 4.289 20 30 DIEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](C3CCC4(CC4)CC3)C2)c1 ZINC001254444875 1062105671 /nfs/dbraw/zinc/10/56/71/1062105671.db2.gz BHEWPGGORYCLMD-IBGZPJMESA-N 1 1 310.441 4.124 20 30 DIEDMO CC[N@@H+](CCN(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355530 1062108156 /nfs/dbraw/zinc/10/81/56/1062108156.db2.gz XDHUSYOGTGLICD-QGZVFWFLSA-N 1 1 307.441 4.078 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC001459355262 1062108353 /nfs/dbraw/zinc/10/83/53/1062108353.db2.gz WOIFSRBVPOOJEJ-APWZRJJASA-N 1 1 312.457 4.433 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Cl)c1Br)C(C)C ZINC001459364990 1062113964 /nfs/dbraw/zinc/11/39/64/1062113964.db2.gz XCOBPAUHMUMNNV-UHFFFAOYSA-N 1 1 302.643 4.499 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(Cl)c1Br)C(C)C ZINC001459364990 1062113975 /nfs/dbraw/zinc/11/39/75/1062113975.db2.gz XCOBPAUHMUMNNV-UHFFFAOYSA-N 1 1 302.643 4.499 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cccc(C#N)c1 ZINC001459394678 1062128293 /nfs/dbraw/zinc/12/82/93/1062128293.db2.gz FCPBPPSGYCHWHB-INIZCTEOSA-N 1 1 301.393 4.179 20 30 DIEDMO C=CC[N@H+](CCN(C)Cc1ccccc1)CC1CCCCC1 ZINC001459475977 1062157728 /nfs/dbraw/zinc/15/77/28/1062157728.db2.gz BXEDQPLRRVTXJK-UHFFFAOYSA-N 1 1 300.490 4.187 20 30 DIEDMO C=CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC001459479655 1062163044 /nfs/dbraw/zinc/16/30/44/1062163044.db2.gz FXDLNRLPZUDFPN-UHFFFAOYSA-N 1 1 318.417 4.042 20 30 DIEDMO Fc1ccccc1-c1csc(C[NH2+]CC#Cc2ccccc2)n1 ZINC001474492489 1062171133 /nfs/dbraw/zinc/17/11/33/1062171133.db2.gz SJDPAOWVZLXKAK-UHFFFAOYSA-N 1 1 322.408 4.091 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001467648332 1062172672 /nfs/dbraw/zinc/17/26/72/1062172672.db2.gz PIZSPSIHZFPOAR-GBESFXJTSA-N 1 1 322.537 4.173 20 30 DIEDMO CC[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001459526372 1062182391 /nfs/dbraw/zinc/18/23/91/1062182391.db2.gz DMMIBYSOQWLZDQ-OAHLLOKOSA-N 1 1 321.262 4.475 20 30 DIEDMO C=CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001254569691 1062183172 /nfs/dbraw/zinc/18/31/72/1062183172.db2.gz JUIGJGGWXZVHOJ-OAHLLOKOSA-N 1 1 302.418 4.347 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC001459537839 1062191422 /nfs/dbraw/zinc/19/14/22/1062191422.db2.gz FPNOIJLEKWGTCY-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC001459537839 1062191445 /nfs/dbraw/zinc/19/14/45/1062191445.db2.gz FPNOIJLEKWGTCY-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001459539207 1062191632 /nfs/dbraw/zinc/19/16/32/1062191632.db2.gz KDOBSSVKBJVKEN-ROUUACIJSA-N 1 1 300.446 4.168 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001459539207 1062191647 /nfs/dbraw/zinc/19/16/47/1062191647.db2.gz KDOBSSVKBJVKEN-ROUUACIJSA-N 1 1 300.446 4.168 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001459539206 1062193284 /nfs/dbraw/zinc/19/32/84/1062193284.db2.gz KDOBSSVKBJVKEN-QZTJIDSGSA-N 1 1 300.446 4.168 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001459539206 1062193296 /nfs/dbraw/zinc/19/32/96/1062193296.db2.gz KDOBSSVKBJVKEN-QZTJIDSGSA-N 1 1 300.446 4.168 20 30 DIEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001459538839 1062193324 /nfs/dbraw/zinc/19/33/24/1062193324.db2.gz SRNZSDUBKJIXGV-IAGOWNOFSA-N 1 1 306.494 4.376 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1OCC(C)C ZINC001474512531 1062194462 /nfs/dbraw/zinc/19/44/62/1062194462.db2.gz MJYRRWDFISMDLG-UHFFFAOYSA-N 1 1 307.437 4.357 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1OCC(C)C ZINC001474512531 1062194471 /nfs/dbraw/zinc/19/44/71/1062194471.db2.gz MJYRRWDFISMDLG-UHFFFAOYSA-N 1 1 307.437 4.357 20 30 DIEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254674964 1062227283 /nfs/dbraw/zinc/22/72/83/1062227283.db2.gz BFDQWHFVERREKT-TYNCELHUSA-N 1 1 307.235 4.134 20 30 DIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001459570562 1062218027 /nfs/dbraw/zinc/21/80/27/1062218027.db2.gz RZEUXOUVWPYTRE-IBGZPJMESA-N 1 1 323.396 4.296 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568353 1062218451 /nfs/dbraw/zinc/21/84/51/1062218451.db2.gz AHQLLBKKSJTNHR-YJYMSZOUSA-N 1 1 312.363 4.420 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668623 1062221978 /nfs/dbraw/zinc/22/19/78/1062221978.db2.gz GXCMQHBRTASVPF-MRVWCRGKSA-N 1 1 309.240 4.475 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670564 1062222270 /nfs/dbraw/zinc/22/22/70/1062222270.db2.gz JOYLLQYBHIFUNT-UPJWGTAASA-N 1 1 309.240 4.475 20 30 DIEDMO Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254669117 1062222599 /nfs/dbraw/zinc/22/25/99/1062222599.db2.gz OMGBGEZQLYRNRV-BZUAXINKSA-N 1 1 318.848 4.184 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667428 1062223192 /nfs/dbraw/zinc/22/31/92/1062223192.db2.gz BZRQTZVLGVGQKM-KBAYOESNSA-N 1 1 318.848 4.013 20 30 DIEDMO Cc1ccc(Cl)c(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254669116 1062223637 /nfs/dbraw/zinc/22/36/37/1062223637.db2.gz OMGBGEZQLYRNRV-ARFHVFGLSA-N 1 1 318.848 4.184 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC001254672062 1062226137 /nfs/dbraw/zinc/22/61/37/1062226137.db2.gz XEBVJPVRIVGSRO-UHOFOFEASA-N 1 1 319.246 4.278 20 30 DIEDMO Cc1ccccc1C1CC([N@@H+](Cc2cncc(C#N)c2)C2CC2)C1 ZINC001459584206 1062226922 /nfs/dbraw/zinc/22/69/22/1062226922.db2.gz FJNGCMRMQLEAOK-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459586054 1062227140 /nfs/dbraw/zinc/22/71/40/1062227140.db2.gz AHECQOBYDROZEA-CQSZACIVSA-N 1 1 310.363 4.445 20 30 DIEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001459589974 1062227880 /nfs/dbraw/zinc/22/78/80/1062227880.db2.gz KKWJGIGCAGFPKA-KRWDZBQOSA-N 1 1 314.473 4.422 20 30 DIEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254674958 1062228203 /nfs/dbraw/zinc/22/82/03/1062228203.db2.gz BFDQWHFVERREKT-JMSVASOKSA-N 1 1 307.235 4.134 20 30 DIEDMO C[N@@H+](CC(C)(C)C#N)CC(C)(C)c1ccc(Br)cc1 ZINC001474540203 1062228354 /nfs/dbraw/zinc/22/83/54/1062228354.db2.gz BPBNFZBPJPBNQQ-UHFFFAOYSA-N 1 1 323.278 4.208 20 30 DIEDMO CCCCCCC[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC001474545428 1062239608 /nfs/dbraw/zinc/23/96/08/1062239608.db2.gz DVTCJSKTAHOHLN-MRXNPFEDSA-N 1 1 300.450 4.106 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1csc(C)c1)c1ccc(Br)cc1 ZINC001474547393 1062241821 /nfs/dbraw/zinc/24/18/21/1062241821.db2.gz ZIUJTPGMMOEANK-OAHLLOKOSA-N 1 1 320.255 4.283 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001474547892 1062242118 /nfs/dbraw/zinc/24/21/18/1062242118.db2.gz NVKWRKQZZGUBQX-OAHLLOKOSA-N 1 1 319.880 4.180 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459611586 1062243250 /nfs/dbraw/zinc/24/32/50/1062243250.db2.gz FSQRONMSIGYJTO-SJORKVTESA-N 1 1 324.509 4.431 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)Cc2ccccc2O1 ZINC001474555193 1062254507 /nfs/dbraw/zinc/25/45/07/1062254507.db2.gz SGKVQRJNSSBCIP-MRXNPFEDSA-N 1 1 318.420 4.025 20 30 DIEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC001459669757 1062287159 /nfs/dbraw/zinc/28/71/59/1062287159.db2.gz JFARANBWPCEFOZ-OAHLLOKOSA-N 1 1 319.246 4.280 20 30 DIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001459644795 1062277728 /nfs/dbraw/zinc/27/77/28/1062277728.db2.gz CZMZEELRBYPCRF-OAQYLSRUSA-N 1 1 307.412 4.433 20 30 DIEDMO N#CCC[N@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)C1CCCCCCC1 ZINC001254950333 1062290742 /nfs/dbraw/zinc/29/07/42/1062290742.db2.gz FBIUTCITOWAPSG-HZPDHXFCSA-N 1 1 302.462 4.073 20 30 DIEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1OC ZINC001459696660 1062313798 /nfs/dbraw/zinc/31/37/98/1062313798.db2.gz UYMGFBLZVWYCKY-MOPGFXCFSA-N 1 1 314.473 4.201 20 30 DIEDMO CC(C)(C)c1ccc(CC[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC001474608215 1062320471 /nfs/dbraw/zinc/32/04/71/1062320471.db2.gz NLRYWXCVNFVURJ-UHFFFAOYSA-N 1 1 304.437 4.414 20 30 DIEDMO CC(C)(C)c1ccc(CC[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC001474608215 1062320491 /nfs/dbraw/zinc/32/04/91/1062320491.db2.gz NLRYWXCVNFVURJ-UHFFFAOYSA-N 1 1 304.437 4.414 20 30 DIEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710962 1062325286 /nfs/dbraw/zinc/32/52/86/1062325286.db2.gz SLTCOAIWMUYVND-APWZRJJASA-N 1 1 300.446 4.228 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001474615864 1062335693 /nfs/dbraw/zinc/33/56/93/1062335693.db2.gz JKLGKQWGPUVKPB-UHFFFAOYSA-N 1 1 300.421 4.490 20 30 DIEDMO C=CCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255148640 1062341221 /nfs/dbraw/zinc/34/12/21/1062341221.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 1 1 312.501 4.470 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255148640 1062341252 /nfs/dbraw/zinc/34/12/52/1062341252.db2.gz YAQQOQAQDKRHPO-AERCQKQUSA-N 1 1 312.501 4.470 20 30 DIEDMO N#Cc1ccnc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC001459734628 1062345410 /nfs/dbraw/zinc/34/54/10/1062345410.db2.gz LZJSMDDGGVRELI-FQEVSTJZSA-N 1 1 316.408 4.162 20 30 DIEDMO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC001459734628 1062345435 /nfs/dbraw/zinc/34/54/35/1062345435.db2.gz LZJSMDDGGVRELI-FQEVSTJZSA-N 1 1 316.408 4.162 20 30 DIEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001255164560 1062350877 /nfs/dbraw/zinc/35/08/77/1062350877.db2.gz OGBSLLIXQJVGMB-HIFRSBDPSA-N 1 1 317.433 4.376 20 30 DIEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001255179291 1062351835 /nfs/dbraw/zinc/35/18/35/1062351835.db2.gz NKDUPIKODWTVMD-UKRRQHHQSA-N 1 1 312.335 4.414 20 30 DIEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001255179291 1062351848 /nfs/dbraw/zinc/35/18/48/1062351848.db2.gz NKDUPIKODWTVMD-UKRRQHHQSA-N 1 1 312.335 4.414 20 30 DIEDMO CC[C@@H](CC#N)[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175570 1062352128 /nfs/dbraw/zinc/35/21/28/1062352128.db2.gz RBHWFZIWONYIGI-VQTJNVASSA-N 1 1 310.441 4.276 20 30 DIEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001255179289 1062352967 /nfs/dbraw/zinc/35/29/67/1062352967.db2.gz NKDUPIKODWTVMD-DZGCQCFKSA-N 1 1 312.335 4.414 20 30 DIEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC001255179289 1062352988 /nfs/dbraw/zinc/35/29/88/1062352988.db2.gz NKDUPIKODWTVMD-DZGCQCFKSA-N 1 1 312.335 4.414 20 30 DIEDMO C#CCCCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001459750218 1062360648 /nfs/dbraw/zinc/36/06/48/1062360648.db2.gz OOLUCBHTCOLHHT-UHFFFAOYSA-N 1 1 308.809 4.264 20 30 DIEDMO Fc1ccc(C#CC[N@H+](Cc2ccccc2F)C2CCC2)cc1 ZINC001459762167 1062372083 /nfs/dbraw/zinc/37/20/83/1062372083.db2.gz IBGAITWBRLIZND-UHFFFAOYSA-N 1 1 311.375 4.371 20 30 DIEDMO Fc1ccc(C#CC[N@@H+](Cc2ccccc2F)C2CCC2)cc1 ZINC001459762167 1062372106 /nfs/dbraw/zinc/37/21/06/1062372106.db2.gz IBGAITWBRLIZND-UHFFFAOYSA-N 1 1 311.375 4.371 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001474647977 1062373547 /nfs/dbraw/zinc/37/35/47/1062373547.db2.gz WSNNHGOGVOMDAY-QGZVFWFLSA-N 1 1 307.441 4.248 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC001474662621 1062395343 /nfs/dbraw/zinc/39/53/43/1062395343.db2.gz HOTAYFCBYMNSME-GOSISDBHSA-N 1 1 300.352 4.251 20 30 DIEDMO C#CC[N@H+](Cc1sc2c(cccc2Cl)c1C)C1CSC1 ZINC001474673977 1062406020 /nfs/dbraw/zinc/40/60/20/1062406020.db2.gz AQDZMKCYEUSWKM-UHFFFAOYSA-N 1 1 321.898 4.414 20 30 DIEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(C)(C)C)CC1)C(=O)OCC ZINC001474686258 1062417308 /nfs/dbraw/zinc/41/73/08/1062417308.db2.gz QDUQFSANFVLYDJ-IKGGRYGDSA-N 1 1 309.494 4.469 20 30 DIEDMO C=CC[N@@H+](CCOc1ccc(Cl)c(F)c1)CCc1ccco1 ZINC001459835725 1062436005 /nfs/dbraw/zinc/43/60/05/1062436005.db2.gz OXHCQWPOSRIVTM-UHFFFAOYSA-N 1 1 323.795 4.182 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)o1)c1ccccc1 ZINC001459852764 1062450252 /nfs/dbraw/zinc/45/02/52/1062450252.db2.gz YYHXWALEOQAWIL-LJQANCHMSA-N 1 1 302.377 4.196 20 30 DIEDMO C#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001474743386 1062459486 /nfs/dbraw/zinc/45/94/86/1062459486.db2.gz KOLPBNNQDCEHER-LAUBAEHRSA-N 1 1 304.437 4.133 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1 ZINC001459872321 1062463215 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C[C@@H](CSc1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255748519 1062568603 /nfs/dbraw/zinc/56/86/03/1062568603.db2.gz QYIFGQHBEPCFJZ-AWEZNQCLSA-N 1 1 314.429 4.310 20 30 DIEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028876 1062584013 /nfs/dbraw/zinc/58/40/13/1062584013.db2.gz JPRJTBCBBHOEGX-PXNSSMCTSA-N 1 1 307.412 4.364 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001460032203 1062587958 /nfs/dbraw/zinc/58/79/58/1062587958.db2.gz LVLZEFZWNQQXQO-GOSISDBHSA-N 1 1 308.400 4.304 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1Br ZINC001460038750 1062590579 /nfs/dbraw/zinc/59/05/79/1062590579.db2.gz AIMBMLXMHHIGNH-OAHLLOKOSA-N 1 1 308.263 4.422 20 30 DIEDMO C=C(C)C[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccccc1 ZINC001460054278 1062603534 /nfs/dbraw/zinc/60/35/34/1062603534.db2.gz KBFYTNNRITZMSZ-UHFFFAOYSA-N 1 1 322.452 4.320 20 30 DIEDMO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1ccccc1 ZINC001460054278 1062603546 /nfs/dbraw/zinc/60/35/46/1062603546.db2.gz 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C=CC[N@@H+](C1CCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC001256612427 1062917875 /nfs/dbraw/zinc/91/78/75/1062917875.db2.gz IKETYSFGDKKYDD-UHFFFAOYSA-N 1 1 312.501 4.472 20 30 DIEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC001460599407 1062926390 /nfs/dbraw/zinc/92/63/90/1062926390.db2.gz PKRWIOWEPCCUBS-AWEZNQCLSA-N 1 1 312.226 4.302 20 30 DIEDMO C=C(Cl)C[N@@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC001460602071 1062930270 /nfs/dbraw/zinc/93/02/70/1062930270.db2.gz CSZAWYOICNBRJE-YPMHNXCESA-N 1 1 314.654 4.379 20 30 DIEDMO C[C@@]1(c2ccc(C(F)(F)F)cc2)CCC[N@H+]1CC1(C#N)CC1 ZINC001460635784 1062954775 /nfs/dbraw/zinc/95/47/75/1062954775.db2.gz HJVFTXCEMQHTBB-HNNXBMFYSA-N 1 1 308.347 4.320 20 30 DIEDMO C[C@]1(C2CCCCC2)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001460677838 1062982482 /nfs/dbraw/zinc/98/24/82/1062982482.db2.gz XEWQCYBMHZPJJE-HXUWFJFHSA-N 1 1 312.457 4.372 20 30 DIEDMO C[C@@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001256845171 1063012263 /nfs/dbraw/zinc/01/22/63/1063012263.db2.gz 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CC(C)[N@@H+](C1CCC(c2ccc(C#N)cc2)CC1)C(C)(C)CN ZINC001257016064 1063082197 /nfs/dbraw/zinc/08/21/97/1063082197.db2.gz UHJQGDHSXNBMNB-UHFFFAOYSA-N 1 1 313.489 4.032 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@]4(C3)CCCCO4)CC2)cc1 ZINC001257016952 1063082624 /nfs/dbraw/zinc/08/26/24/1063082624.db2.gz LFYZZQQUZKLSGD-CBNMVNINSA-N 1 1 324.468 4.229 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021499 1063084661 /nfs/dbraw/zinc/08/46/61/1063084661.db2.gz VEVKUUFJNFYNHB-KKXNLOMOSA-N 1 1 307.441 4.210 20 30 DIEDMO Cc1ccc(C[N@H+](C)C2CCC(c3ccc(C#N)cc3)CC2)cn1 ZINC001257022166 1063085345 /nfs/dbraw/zinc/08/53/45/1063085345.db2.gz HTCDTLNFCORKIV-UHFFFAOYSA-N 1 1 319.452 4.420 20 30 DIEDMO Cc1ncccc1C[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257023164 1063087061 /nfs/dbraw/zinc/08/70/61/1063087061.db2.gz WSNMKXNGCMSMRS-UHFFFAOYSA-N 1 1 319.452 4.420 20 30 DIEDMO C#CC[N@@H+](Cc1c(C)noc1CC)[C@H]1CCCc2ccccc21 ZINC001460836449 1063090007 /nfs/dbraw/zinc/09/00/07/1063090007.db2.gz 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C=CC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccncc1 ZINC001461221108 1063344478 /nfs/dbraw/zinc/34/44/78/1063344478.db2.gz VUAODXBUTMGJJJ-SFHVURJKSA-N 1 1 305.381 4.144 20 30 DIEDMO CCC[N@@H+](CCC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257833503 1063398703 /nfs/dbraw/zinc/39/87/03/1063398703.db2.gz WXDDGXQNKRJIRW-UHFFFAOYSA-N 1 1 300.446 4.140 20 30 DIEDMO COC(=O)C1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001257865046 1063408602 /nfs/dbraw/zinc/40/86/02/1063408602.db2.gz FUJSGPRZZADTOD-UHFFFAOYSA-N 1 1 320.477 4.047 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1F ZINC001473113094 1063413639 /nfs/dbraw/zinc/41/36/39/1063413639.db2.gz WMHLMPDVVJWYKK-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO N#Cc1cccc(OCC[N@H+](Cc2ccccc2)CC2CCC2)c1 ZINC001473119962 1063422730 /nfs/dbraw/zinc/42/27/30/1063422730.db2.gz ZNPYKUFYWDEWNS-UHFFFAOYSA-N 1 1 320.436 4.239 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](Cc1ccccc1)OC ZINC001473118846 1063423896 /nfs/dbraw/zinc/42/38/96/1063423896.db2.gz XJPGVEFRQBQLFF-LJQANCHMSA-N 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CCCCCCCCC[C@@H](C)[NH+]1CCN(C2CCOCC2)CC1 ZINC001258228429 1063568582 /nfs/dbraw/zinc/56/85/82/1063568582.db2.gz GZEXRXPODPZYDK-LJQANCHMSA-N 1 1 324.553 4.312 20 30 DIEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCCCCCC1)C2 ZINC001258240882 1063578575 /nfs/dbraw/zinc/57/85/75/1063578575.db2.gz UPBVPVRJKLFQGM-WOJBJXKFSA-N 1 1 321.505 4.173 20 30 DIEDMO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@@H](C#N)C1 ZINC001258313609 1063603094 /nfs/dbraw/zinc/60/30/94/1063603094.db2.gz FSCSIGDWFMJQRW-CABCVRRESA-N 1 1 306.475 4.306 20 30 DIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](CC)CCCCC)C2 ZINC001258439377 1063654309 /nfs/dbraw/zinc/65/43/09/1063654309.db2.gz JCIPOGDIHAZNKA-ICSRJNTNSA-N 1 1 320.521 4.378 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)CCCCC)CC2 ZINC001258441398 1063655787 /nfs/dbraw/zinc/65/57/87/1063655787.db2.gz KBJQSZOEVSHATL-QUCCMNQESA-N 1 1 320.521 4.378 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)C1CCN(c2ccccc2)CC1 ZINC001258515594 1063680858 /nfs/dbraw/zinc/68/08/58/1063680858.db2.gz 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C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001258725330 1063779937 /nfs/dbraw/zinc/77/99/37/1063779937.db2.gz KFWHIGCDPMUOJV-APWZRJJASA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001258731900 1063781516 /nfs/dbraw/zinc/78/15/16/1063781516.db2.gz FEEBMFSZPHYSFZ-NEWSRXKRSA-N 1 1 315.457 4.010 20 30 DIEDMO CCOc1ccc(C[N@H+](CCC#N)CC(CC)CC)cc1F ZINC001461893448 1063781524 /nfs/dbraw/zinc/78/15/24/1063781524.db2.gz BVISREUESDPTOO-UHFFFAOYSA-N 1 1 306.425 4.376 20 30 DIEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(CC)CC)cc1F ZINC001461893448 1063781532 /nfs/dbraw/zinc/78/15/32/1063781532.db2.gz BVISREUESDPTOO-UHFFFAOYSA-N 1 1 306.425 4.376 20 30 DIEDMO C=CCC[C@H](C)[N@@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001258731242 1063781763 /nfs/dbraw/zinc/78/17/63/1063781763.db2.gz BTYZXHWQOICAAS-WDSOQIARSA-N 1 1 315.457 4.152 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731012 1063782427 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/nfs/dbraw/zinc/24/29/03/1066242903.db2.gz RSZUNWXKJAWOEM-GFCCVEGCSA-N 1 1 309.837 4.144 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308829073 1066303717 /nfs/dbraw/zinc/30/37/17/1066303717.db2.gz AVZJDUIKHRCZTI-CQSZACIVSA-N 1 1 314.379 4.462 20 30 DIEDMO C[C@H](CC1CCCCC1)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001308851416 1066330422 /nfs/dbraw/zinc/33/04/22/1066330422.db2.gz KTXFZEVTUNMEKA-OXQOHEQNSA-N 1 1 314.473 4.130 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)C1 ZINC001308880354 1066359280 /nfs/dbraw/zinc/35/92/80/1066359280.db2.gz KSOJCOZKWBVIKP-CQSZACIVSA-N 1 1 300.427 4.224 20 30 DIEDMO C=CCCCCCCCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001310808181 1066564338 /nfs/dbraw/zinc/56/43/38/1066564338.db2.gz FKFRQHPEAWGLSC-UHFFFAOYSA-N 1 1 314.433 4.291 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1OCC(F)F)c1ccco1 ZINC000286220603 335030762 /nfs/dbraw/zinc/03/07/62/335030762.db2.gz SHNAULOQLGXUJU-CQSZACIVSA-N 1 1 322.355 4.116 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1OC(F)F ZINC000425542540 335035991 /nfs/dbraw/zinc/03/59/91/335035991.db2.gz YGUQXYXMAGWYBX-CYBMUJFWSA-N 1 1 316.351 4.353 20 30 DIEDMO COc1ccc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000272322896 130020784 /nfs/dbraw/zinc/02/07/84/130020784.db2.gz WJBUKQWDGSTMDZ-CYBMUJFWSA-N 1 1 310.372 4.046 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273557079 130137065 /nfs/dbraw/zinc/13/70/65/130137065.db2.gz WALARZKMSNELTK-VQTJNVASSA-N 1 1 324.399 4.049 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000275701877 130366481 /nfs/dbraw/zinc/36/64/81/130366481.db2.gz QNAGJQRJGAKXAS-YJBOKZPZSA-N 1 1 306.409 4.117 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2cc(C#N)c3ccccc3n2)C1 ZINC000522902717 434934751 /nfs/dbraw/zinc/93/47/51/434934751.db2.gz DPKAJZPJQDWURV-INIZCTEOSA-N 1 1 322.456 4.030 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(OC(F)F)cc1 ZINC000409447318 332031469 /nfs/dbraw/zinc/03/14/69/332031469.db2.gz 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C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000181287136 332190064 /nfs/dbraw/zinc/19/00/64/332190064.db2.gz JQIYDDUIALRKJN-INIZCTEOSA-N 1 1 308.425 4.189 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000181287136 332190065 /nfs/dbraw/zinc/19/00/65/332190065.db2.gz JQIYDDUIALRKJN-INIZCTEOSA-N 1 1 308.425 4.189 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000387527885 332329497 /nfs/dbraw/zinc/32/94/97/332329497.db2.gz PKDGVQZGYFNRAA-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1C(F)(F)F ZINC000125453784 332330918 /nfs/dbraw/zinc/33/09/18/332330918.db2.gz GEUKVEITZCANLP-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1C(F)(F)F ZINC000125453784 332330920 /nfs/dbraw/zinc/33/09/20/332330920.db2.gz GEUKVEITZCANLP-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000152960872 332332343 /nfs/dbraw/zinc/33/23/43/332332343.db2.gz 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ZINC000120558389 332387265 /nfs/dbraw/zinc/38/72/65/332387265.db2.gz XGMRONHIAWHKRH-OAHLLOKOSA-N 1 1 306.475 4.059 20 30 DIEDMO COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(CC#N)CC1 ZINC000561599204 332468764 /nfs/dbraw/zinc/46/87/64/332468764.db2.gz SFZBNSLSNCWUDS-UHFFFAOYSA-N 1 1 313.228 4.128 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cncnc1C)c1ccc(F)c(F)c1 ZINC000566749633 332557393 /nfs/dbraw/zinc/55/73/93/332557393.db2.gz XOUJANIBOWECQG-SJCJKPOMSA-N 1 1 303.356 4.031 20 30 DIEDMO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000110596384 333036852 /nfs/dbraw/zinc/03/68/52/333036852.db2.gz VLFMTUZPHDLKIL-SEJPIABJSA-N 1 1 317.436 4.166 20 30 DIEDMO N#CCC1(CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000362361053 333052433 /nfs/dbraw/zinc/05/24/33/333052433.db2.gz XAPCPOKQVYXPHR-UHFFFAOYSA-N 1 1 316.202 4.103 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000174812902 333091011 /nfs/dbraw/zinc/09/10/11/333091011.db2.gz TYBBBQYXGCLTFF-UHFFFAOYSA-N 1 1 309.797 4.010 20 30 DIEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000174857431 333091849 /nfs/dbraw/zinc/09/18/49/333091849.db2.gz YVFDUZNQLZQMTB-RYRKJORJSA-N 1 1 300.446 4.167 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1OC ZINC000174863197 333092004 /nfs/dbraw/zinc/09/20/04/333092004.db2.gz IERGFKWSDVSZAY-INIZCTEOSA-N 1 1 316.445 4.171 20 30 DIEDMO COc1ccc2c(c1)C[N@H+](CCCC#N)[C@H](c1ccccc1)C2 ZINC000177463274 333129245 /nfs/dbraw/zinc/12/92/45/333129245.db2.gz DFDGIOBXUIOYDZ-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1Cl ZINC000182062540 333149066 /nfs/dbraw/zinc/14/90/66/333149066.db2.gz WYQLHSXBCFJZIY-AWEZNQCLSA-N 1 1 316.832 4.493 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000181738304 333171819 /nfs/dbraw/zinc/17/18/19/333171819.db2.gz VAZLGLOCVXOPPG-QWHCGFSZSA-N 1 1 315.442 4.020 20 30 DIEDMO CC(C)c1csc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000181910314 333173305 /nfs/dbraw/zinc/17/33/05/333173305.db2.gz CSVXAJQRDCXSBU-CYBMUJFWSA-N 1 1 315.442 4.020 20 30 DIEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCOc1ccccc1C#N ZINC000497584584 333265954 /nfs/dbraw/zinc/26/59/54/333265954.db2.gz HPSZJEYMYTZXLP-OAHLLOKOSA-N 1 1 320.392 4.376 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCCO1 ZINC000497728240 333283947 /nfs/dbraw/zinc/28/39/47/333283947.db2.gz SUOIAGVDNFJNON-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000414563302 334020718 /nfs/dbraw/zinc/02/07/18/334020718.db2.gz WFMFCVFWNVBTBD-MRXNPFEDSA-N 1 1 322.493 4.150 20 30 DIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273476938 334047915 /nfs/dbraw/zinc/04/79/15/334047915.db2.gz KLLLGCYSOAPEBP-ZWKOTPCHSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000277628662 334089474 /nfs/dbraw/zinc/08/94/74/334089474.db2.gz GRFHWUOPNQVYDN-SJLPKXTDSA-N 1 1 300.446 4.168 20 30 DIEDMO COc1cc(C[N@@H+](CCCCC(C)(C)C#N)C2CC2)ccc1O ZINC000277619325 334089632 /nfs/dbraw/zinc/08/96/32/334089632.db2.gz GGLBVHYGFJICTH-UHFFFAOYSA-N 1 1 316.445 4.085 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1Cl ZINC000282082403 334131105 /nfs/dbraw/zinc/13/11/05/334131105.db2.gz UOBFCZBAYDOFFM-UHFFFAOYSA-N 1 1 320.864 4.262 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(Cl)c1 ZINC000282101340 334131288 /nfs/dbraw/zinc/13/12/88/334131288.db2.gz WBWNBWMAPAFCLB-UHFFFAOYSA-N 1 1 320.864 4.262 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Cl)cc1 ZINC000282112864 334131370 /nfs/dbraw/zinc/13/13/70/334131370.db2.gz XDTLEQRNCUGWQG-UHFFFAOYSA-N 1 1 320.864 4.262 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289439475 334165371 /nfs/dbraw/zinc/16/53/71/334165371.db2.gz DOHWRAXXMIKUND-RTBURBONSA-N 1 1 324.468 4.021 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827695 334192910 /nfs/dbraw/zinc/19/29/10/334192910.db2.gz ONQVFEZDTCPABT-CJNGLKHVSA-N 1 1 309.388 4.088 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562548 334199173 /nfs/dbraw/zinc/19/91/73/334199173.db2.gz MGGZYVUIHDSKOP-XNRPHZJLSA-N 1 1 306.862 4.199 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296307567 334231736 /nfs/dbraw/zinc/23/17/36/334231736.db2.gz NVXLCRKXGRTCHQ-INIZCTEOSA-N 1 1 308.853 4.025 20 30 DIEDMO C[N@H+]1CCC[C@@H]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000534608364 334299506 /nfs/dbraw/zinc/29/95/06/334299506.db2.gz GNZADNUWKPFAAZ-QGZVFWFLSA-N 1 1 323.465 4.197 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000345028582 335293110 /nfs/dbraw/zinc/29/31/10/335293110.db2.gz MHLWNGWJQFAVQF-OAHLLOKOSA-N 1 1 309.335 4.226 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000519695551 335888384 /nfs/dbraw/zinc/88/83/84/335888384.db2.gz AXLRSEKPOJDWMC-UHFFFAOYSA-N 1 1 314.335 4.150 20 30 DIEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)C ZINC000351603246 336049162 /nfs/dbraw/zinc/04/91/62/336049162.db2.gz OUZUUYYPPHNUEN-UHFFFAOYSA-N 1 1 324.472 4.332 20 30 DIEDMO N#CCC1CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000526113183 336165485 /nfs/dbraw/zinc/16/54/85/336165485.db2.gz SOUPIKIEUNKVIY-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330358282 336177189 /nfs/dbraw/zinc/17/71/89/336177189.db2.gz UQGMGGOXEZNDAS-OAHLLOKOSA-N 1 1 322.836 4.431 20 30 DIEDMO O=C(Nc1cccc(Cl)c1O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330358282 336177190 /nfs/dbraw/zinc/17/71/90/336177190.db2.gz UQGMGGOXEZNDAS-OAHLLOKOSA-N 1 1 322.836 4.431 20 30 DIEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)C#N ZINC000103469590 336241103 /nfs/dbraw/zinc/24/11/03/336241103.db2.gz MITHOFWTPWXPJD-MRXNPFEDSA-N 1 1 303.409 4.207 20 30 DIEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)C#N ZINC000103469590 336241104 /nfs/dbraw/zinc/24/11/04/336241104.db2.gz MITHOFWTPWXPJD-MRXNPFEDSA-N 1 1 303.409 4.207 20 30 DIEDMO CC1(C)CC[C@@H]2C[C@@H]([NH2+]Cc3nc(C#N)cs3)c3cccc1c32 ZINC000352820406 336255301 /nfs/dbraw/zinc/25/53/01/336255301.db2.gz AJOQOMOTKVBJIJ-MLGOLLRUSA-N 1 1 323.465 4.404 20 30 DIEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(Cl)ccc2C#N)c1 ZINC000301168463 336293063 /nfs/dbraw/zinc/29/30/63/336293063.db2.gz FQGAGKPNRWKIJM-UHFFFAOYSA-N 1 1 313.832 4.275 20 30 DIEDMO CCCC[N@@H+](C)CC1CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000301559978 336314998 /nfs/dbraw/zinc/31/49/98/336314998.db2.gz XRHRAFMDFKAKJL-UHFFFAOYSA-N 1 1 319.880 4.160 20 30 DIEDMO C=C(C)COCCNc1cc[nH+]c2c(Br)cccc12 ZINC000301642352 336320267 /nfs/dbraw/zinc/32/02/67/336320267.db2.gz BTFHTPWHVCWIKO-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc2cc(C#N)ccc2n1 ZINC000301957071 336339899 /nfs/dbraw/zinc/33/98/99/336339899.db2.gz ACQQCFOCNSWJTF-MRXNPFEDSA-N 1 1 322.456 4.173 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000301998741 336342375 /nfs/dbraw/zinc/34/23/75/336342375.db2.gz QVWBEQXQCCOIQE-HNNXBMFYSA-N 1 1 306.413 4.071 20 30 DIEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000302836986 336371559 /nfs/dbraw/zinc/37/15/59/336371559.db2.gz XAWMMTGKUMXJFF-MSOLQXFVSA-N 1 1 311.816 4.069 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(C(C)(C)C)c1C ZINC000352928135 336377761 /nfs/dbraw/zinc/37/77/61/336377761.db2.gz BYFFFNPRONIFKT-UHFFFAOYSA-N 1 1 315.461 4.079 20 30 DIEDMO C=CCC[C@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccco1 ZINC000353670365 336433561 /nfs/dbraw/zinc/43/35/61/336433561.db2.gz GZUUWUPGTQKZIP-IRXDYDNUSA-N 1 1 313.397 4.409 20 30 DIEDMO COC[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000360659665 336718030 /nfs/dbraw/zinc/71/80/30/336718030.db2.gz ZUKUGXPNQXCJTG-RBUKOAKNSA-N 1 1 324.424 4.205 20 30 DIEDMO C[C@H]([NH2+][C@H]1CCOc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000361181918 336742623 /nfs/dbraw/zinc/74/26/23/336742623.db2.gz SQFWNAPPTCQQRV-ZBEGNZNMSA-N 1 1 314.335 4.011 20 30 DIEDMO Cc1ccc([C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccn2)cc1 ZINC000369283447 336861783 /nfs/dbraw/zinc/86/17/83/336861783.db2.gz NJYCDGOIYWHDGI-NRFANRHFSA-N 1 1 313.404 4.141 20 30 DIEDMO COc1ccc(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418143592 336896598 /nfs/dbraw/zinc/89/65/98/336896598.db2.gz QRPSXOKGMNXGKM-UHFFFAOYSA-N 1 1 306.409 4.146 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000582693521 337123330 /nfs/dbraw/zinc/12/33/30/337123330.db2.gz SMLXIJNNIKPCTA-QGZVFWFLSA-N 1 1 300.427 4.211 20 30 DIEDMO C=CCC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000177212371 337154778 /nfs/dbraw/zinc/15/47/78/337154778.db2.gz QELRDERIOICVAB-UHFFFAOYSA-N 1 1 305.809 4.178 20 30 DIEDMO COc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1OCCCC#N ZINC000179703580 337169145 /nfs/dbraw/zinc/16/91/45/337169145.db2.gz INDCVZAGJZFBSH-UHFFFAOYSA-N 1 1 318.461 4.244 20 30 DIEDMO C=CCC1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCC1 ZINC000189013894 337276571 /nfs/dbraw/zinc/27/65/71/337276571.db2.gz HXMWZZMQUXASKY-OAHLLOKOSA-N 1 1 323.440 4.104 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCc2cc(Br)ccc2C1 ZINC000191614583 337297817 /nfs/dbraw/zinc/29/78/17/337297817.db2.gz XRFRWGYSDYNAEK-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192358057 337304758 /nfs/dbraw/zinc/30/47/58/337304758.db2.gz GIBOANNOPVOAGM-QGZVFWFLSA-N 1 1 312.800 4.084 20 30 DIEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000583839259 337340704 /nfs/dbraw/zinc/34/07/04/337340704.db2.gz ASWYLNMJXLDQAC-HXUWFJFHSA-N 1 1 323.440 4.347 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000532926434 337393013 /nfs/dbraw/zinc/39/30/13/337393013.db2.gz BEVXRXFGPUTRQW-INIZCTEOSA-N 1 1 318.486 4.024 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000421343116 337527649 /nfs/dbraw/zinc/52/76/49/337527649.db2.gz PNRXNQRICXWAIM-HNNXBMFYSA-N 1 1 303.837 4.179 20 30 DIEDMO CC(C)COC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000572447294 337649520 /nfs/dbraw/zinc/64/95/20/337649520.db2.gz DFOUQLCGSTZKKO-MOPGFXCFSA-N 1 1 324.424 4.142 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000532990368 337804225 /nfs/dbraw/zinc/80/42/25/337804225.db2.gz UMWHOUMNMWOBHT-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO Cc1cccc(NC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC000533071747 337808666 /nfs/dbraw/zinc/80/86/66/337808666.db2.gz KRXSGBNAIUKLEY-UHFFFAOYSA-N 1 1 323.415 4.082 20 30 DIEDMO C=CCn1cc(C[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)nn1 ZINC000424292865 337816441 /nfs/dbraw/zinc/81/64/41/337816441.db2.gz HTDYWMCKYPGBLE-GOSISDBHSA-N 1 1 324.428 4.087 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(OC(C)C)c1 ZINC000533309829 337840546 /nfs/dbraw/zinc/84/05/46/337840546.db2.gz XVCXYXIRPCVDKF-UHFFFAOYSA-N 1 1 312.388 4.083 20 30 DIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)c1ccc(F)cc1 ZINC000516197580 338007161 /nfs/dbraw/zinc/00/71/61/338007161.db2.gz ITTABEVWLUXSMJ-OAHLLOKOSA-N 1 1 312.388 4.159 20 30 DIEDMO CCCc1csc(C[N@@H+](CCC)Cc2ccc(C#N)cc2)n1 ZINC000426020856 338019474 /nfs/dbraw/zinc/01/94/74/338019474.db2.gz MEQKFTCINRSQLP-UHFFFAOYSA-N 1 1 313.470 4.379 20 30 DIEDMO CCCc1csc(C[N@H+](CCC)Cc2ccc(C#N)cc2)n1 ZINC000426020856 338019475 /nfs/dbraw/zinc/01/94/75/338019475.db2.gz MEQKFTCINRSQLP-UHFFFAOYSA-N 1 1 313.470 4.379 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(-c2ccco2)s1 ZINC000426164657 338021853 /nfs/dbraw/zinc/02/18/53/338021853.db2.gz ZHGMDICRZLSBMV-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC(F)F)c1 ZINC000428333768 338047647 /nfs/dbraw/zinc/04/76/47/338047647.db2.gz VRPJYSNSWIFULN-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000428366402 338048989 /nfs/dbraw/zinc/04/89/89/338048989.db2.gz GMYWPKHTOVDYPN-UHFFFAOYSA-N 1 1 312.363 4.396 20 30 DIEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000428391902 338050017 /nfs/dbraw/zinc/05/00/17/338050017.db2.gz XVJZTYMALPOHRS-IBGZPJMESA-N 1 1 312.363 4.467 20 30 DIEDMO CC(C)[N@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428466641 338053762 /nfs/dbraw/zinc/05/37/62/338053762.db2.gz WHJJPOGDQWWSNF-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cccc(F)c1C#N ZINC000428466641 338053763 /nfs/dbraw/zinc/05/37/63/338053763.db2.gz WHJJPOGDQWWSNF-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000429256068 338074967 /nfs/dbraw/zinc/07/49/67/338074967.db2.gz OWXHCYZGVWSMIS-INIZCTEOSA-N 1 1 317.452 4.056 20 30 DIEDMO CSC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000429291620 338076877 /nfs/dbraw/zinc/07/68/77/338076877.db2.gz GZZGMRZMCDTUBT-HNNXBMFYSA-N 1 1 302.487 4.063 20 30 DIEDMO CC(C)(C)c1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000433016570 338176437 /nfs/dbraw/zinc/17/64/37/338176437.db2.gz RWIIWIILERJKOH-QGZVFWFLSA-N 1 1 311.429 4.497 20 30 DIEDMO CC(C)(C)c1cnc(C[NH2+][C@H](CCCC#N)c2ccccc2)o1 ZINC000433019047 338176622 /nfs/dbraw/zinc/17/66/22/338176622.db2.gz KUIBVTMJDLSSIX-MRXNPFEDSA-N 1 1 311.429 4.497 20 30 DIEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000433242630 338187519 /nfs/dbraw/zinc/18/75/19/338187519.db2.gz BIHKGUUVAAGGII-LBPRGKRZSA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1cccc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1F ZINC000434495306 338218409 /nfs/dbraw/zinc/21/84/09/338218409.db2.gz ULLHFQPBEXQPBL-UHFFFAOYSA-N 1 1 312.363 4.158 20 30 DIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434504594 338218864 /nfs/dbraw/zinc/21/88/64/338218864.db2.gz VESOTZLENZHCBT-UHFFFAOYSA-N 1 1 312.363 4.158 20 30 DIEDMO CC1(C)CC[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000435043199 338230569 /nfs/dbraw/zinc/23/05/69/338230569.db2.gz ABBKLXVEQNLACB-UHFFFAOYSA-N 1 1 318.486 4.087 20 30 DIEDMO CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000435126621 338232703 /nfs/dbraw/zinc/23/27/03/338232703.db2.gz OTGXCJJOYYCBLI-CQSZACIVSA-N 1 1 320.396 4.124 20 30 DIEDMO C[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291074 338266640 /nfs/dbraw/zinc/26/66/40/338266640.db2.gz KPHDBFQKXCKRTF-UZLBHIALSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291074 338266641 /nfs/dbraw/zinc/26/66/41/338266641.db2.gz KPHDBFQKXCKRTF-UZLBHIALSA-N 1 1 311.473 4.006 20 30 DIEDMO Cc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437421466 338309633 /nfs/dbraw/zinc/30/96/33/338309633.db2.gz VTTBYJTXDNIOAU-UHFFFAOYSA-N 1 1 316.351 4.100 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437428439 338309806 /nfs/dbraw/zinc/30/98/06/338309806.db2.gz SEMWGKBBXWDQMF-ZDUSSCGKSA-N 1 1 316.351 4.353 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000438112269 338332530 /nfs/dbraw/zinc/33/25/30/338332530.db2.gz FBVLXCGBGNMPAH-QGZVFWFLSA-N 1 1 310.397 4.277 20 30 DIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1F ZINC000439445861 338369641 /nfs/dbraw/zinc/36/96/41/338369641.db2.gz YNLDJLJIALTUKP-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO CC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000439465557 338370366 /nfs/dbraw/zinc/37/03/66/338370366.db2.gz FOCHPTABFQSRHN-FQEVSTJZSA-N 1 1 320.436 4.226 20 30 DIEDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCCO1 ZINC000439465561 338370453 /nfs/dbraw/zinc/37/04/53/338370453.db2.gz FOCHPTABFQSRHN-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1ccccc1Cl)c1nc(C)cs1 ZINC000441255402 338406841 /nfs/dbraw/zinc/40/68/41/338406841.db2.gz OCWZCTUZOBYGMK-KRWDZBQOSA-N 1 1 318.873 4.371 20 30 DIEDMO C=CC[C@@H](CC)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449306353 338611359 /nfs/dbraw/zinc/61/13/59/338611359.db2.gz WFRUDOJOEAWJDL-PKOBYXMFSA-N 1 1 300.490 4.026 20 30 DIEDMO C=CC[C@@H](CC)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449306351 338611405 /nfs/dbraw/zinc/61/14/05/338611405.db2.gz WFRUDOJOEAWJDL-IEBWSBKVSA-N 1 1 300.490 4.026 20 30 DIEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccccc3C(C)(C)C#N)c2C[C@@H]1C ZINC000450995272 338716287 /nfs/dbraw/zinc/71/62/87/338716287.db2.gz DWAQGIYWLGRKAA-CABCVRRESA-N 1 1 307.441 4.103 20 30 DIEDMO Cc1ccccc1[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459387453 339026413 /nfs/dbraw/zinc/02/64/13/339026413.db2.gz JNVQOORIUWXINB-LJQANCHMSA-N 1 1 321.380 4.016 20 30 DIEDMO C[C@@H](CNc1c(Cl)cccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000462838206 339093644 /nfs/dbraw/zinc/09/36/44/339093644.db2.gz JIHUUHQFZVHYFS-AWEZNQCLSA-N 1 1 313.832 4.144 20 30 DIEDMO Cc1nc2ccccc2n1CCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000463111938 339106080 /nfs/dbraw/zinc/10/60/80/339106080.db2.gz HYRONRNOFZVAPD-MRXNPFEDSA-N 1 1 324.472 4.139 20 30 DIEDMO Cn1c2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000463245814 339111697 /nfs/dbraw/zinc/11/16/97/339111697.db2.gz DWZNKQCFSANFLX-ZIAGYGMSSA-N 1 1 310.445 4.365 20 30 DIEDMO CC[N@@H+](CCCC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000463303623 339114327 /nfs/dbraw/zinc/11/43/27/339114327.db2.gz TZAZAHZPHAWXCN-INIZCTEOSA-N 1 1 300.446 4.148 20 30 DIEDMO COc1ccc(CC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000464816134 339155104 /nfs/dbraw/zinc/15/51/04/339155104.db2.gz SAILBDNKWRDXIP-RTWAWAEBSA-N 1 1 320.436 4.009 20 30 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340310894 /nfs/dbraw/zinc/31/08/94/340310894.db2.gz LQVKCWQREWZQFE-UHFFFAOYSA-N 1 1 308.400 4.500 20 30 DIEDMO C=CC[N@H+](C/C=C\c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000512067342 340347311 /nfs/dbraw/zinc/34/73/11/340347311.db2.gz LEVVJYISFWJEKN-XFFZJAGNSA-N 1 1 318.420 4.268 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1F ZINC000512151025 340350090 /nfs/dbraw/zinc/35/00/90/340350090.db2.gz BGGWSALXVBENCJ-CQSZACIVSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccc1F ZINC000512151025 340350091 /nfs/dbraw/zinc/35/00/91/340350091.db2.gz BGGWSALXVBENCJ-CQSZACIVSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](CC)c1ccc(F)cc1 ZINC000512164472 340350470 /nfs/dbraw/zinc/35/04/70/340350470.db2.gz CPYWRNWGOAANLI-LJQANCHMSA-N 1 1 317.404 4.440 20 30 DIEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1C(C)(C)C#N)CCO2 ZINC000512274235 340355006 /nfs/dbraw/zinc/35/50/06/340355006.db2.gz BCUUCZJKYRNFRA-UHFFFAOYSA-N 1 1 320.436 4.191 20 30 DIEDMO N#Cc1cccc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1F ZINC000512405428 340360774 /nfs/dbraw/zinc/36/07/74/340360774.db2.gz ZZICWSXDHADJON-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)c1F ZINC000512434199 340361702 /nfs/dbraw/zinc/36/17/02/340361702.db2.gz VDPBGIRJQWOAMB-GUYCJALGSA-N 1 1 312.363 4.214 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000512449290 340362319 /nfs/dbraw/zinc/36/23/19/340362319.db2.gz DZFMSLJYMMKPQN-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512461137 340362670 /nfs/dbraw/zinc/36/26/70/340362670.db2.gz ADFYFGOZHRPGGN-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000512461137 340362671 /nfs/dbraw/zinc/36/26/71/340362671.db2.gz ADFYFGOZHRPGGN-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO Cc1cccc(NC2CC[NH+](Cc3cccc(C#N)c3F)CC2)c1 ZINC000512470081 340363025 /nfs/dbraw/zinc/36/30/25/340363025.db2.gz VSPKLONYXFRGPT-UHFFFAOYSA-N 1 1 323.415 4.082 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1c(F)cccc1SC ZINC000512501079 340364456 /nfs/dbraw/zinc/36/44/56/340364456.db2.gz DAQCUPBWDODNER-UHFFFAOYSA-N 1 1 317.429 4.402 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)c(F)c1 ZINC000512522047 340365369 /nfs/dbraw/zinc/36/53/69/340365369.db2.gz NNEUZOURELSVHT-UHFFFAOYSA-N 1 1 319.399 4.321 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)c(F)c1 ZINC000512522047 340365370 /nfs/dbraw/zinc/36/53/70/340365370.db2.gz NNEUZOURELSVHT-UHFFFAOYSA-N 1 1 319.399 4.321 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512625107 340369695 /nfs/dbraw/zinc/36/96/95/340369695.db2.gz LQJLDAALVNCZDT-GHMZBOCLSA-N 1 1 304.315 4.387 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512642785 340370623 /nfs/dbraw/zinc/37/06/23/340370623.db2.gz SNTPRWDVDSVBTQ-CQSZACIVSA-N 1 1 310.372 4.113 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(F)c(F)c1 ZINC000512653666 340371174 /nfs/dbraw/zinc/37/11/74/340371174.db2.gz GHBUVOKPSWHPIM-MNOVXSKESA-N 1 1 304.315 4.387 20 30 DIEDMO CCc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512667066 340371979 /nfs/dbraw/zinc/37/19/79/340371979.db2.gz NXVAOLLWBRESCD-ORAYPTAESA-N 1 1 324.399 4.434 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1ccc(C#N)cc1F ZINC000512667888 340371994 /nfs/dbraw/zinc/37/19/94/340371994.db2.gz RRKLQJUOVKQUJT-AWEZNQCLSA-N 1 1 324.399 4.479 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000174838153 340397302 /nfs/dbraw/zinc/39/73/02/340397302.db2.gz WKDLHLICUGLBJH-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccc(Br)cc1 ZINC000174852192 340397350 /nfs/dbraw/zinc/39/73/50/340397350.db2.gz CNHVBOVTITXBCB-UHFFFAOYSA-N 1 1 323.278 4.253 20 30 DIEDMO Fc1ccc([C@@H](CC(F)(F)F)[NH2+]CC#Cc2ccccc2)cc1 ZINC000192152761 340563209 /nfs/dbraw/zinc/56/32/09/340563209.db2.gz NBEVUINYIAFELJ-QGZVFWFLSA-N 1 1 321.317 4.461 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1Cl ZINC000192157724 340563531 /nfs/dbraw/zinc/56/35/31/340563531.db2.gz PONUYELROKJUKT-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C=CC[C@@H](C)[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124229814 340797850 /nfs/dbraw/zinc/79/78/50/340797850.db2.gz JWKYPQQCWAODIB-QAPCUYQASA-N 1 1 319.408 4.380 20 30 DIEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1cccc(F)c1F ZINC000539330963 340881355 /nfs/dbraw/zinc/88/13/55/340881355.db2.gz TZUDHGHGYGZLQP-LBPRGKRZSA-N 1 1 305.755 4.321 20 30 DIEDMO N#CC1(C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 ZINC000539490852 340886706 /nfs/dbraw/zinc/88/67/06/340886706.db2.gz HIDFJSMGDSOSFN-GOSISDBHSA-N 1 1 312.363 4.142 20 30 DIEDMO COc1ccc([C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccco2)cc1 ZINC000564250031 340987987 /nfs/dbraw/zinc/98/79/87/340987987.db2.gz NNGZNOHHONOJFJ-HXUWFJFHSA-N 1 1 318.376 4.039 20 30 DIEDMO N#CCc1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000542209995 341000253 /nfs/dbraw/zinc/00/02/53/341000253.db2.gz RGGMPZHQMMTEGM-OAQYLSRUSA-N 1 1 302.421 4.405 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(CC#N)cc1)[C@@H]2C ZINC000542256932 341002225 /nfs/dbraw/zinc/00/22/25/341002225.db2.gz CIVFASBJLUPBMR-JKSUJKDBSA-N 1 1 320.436 4.269 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542277320 341003165 /nfs/dbraw/zinc/00/31/65/341003165.db2.gz NRBJOQOWXBREEJ-BEFAXECRSA-N 1 1 308.400 4.270 20 30 DIEDMO C=CCC[C@@H](C)[NH2+]Cc1ccccc1CN(C)Cc1ccco1 ZINC000542664508 341016108 /nfs/dbraw/zinc/01/61/08/341016108.db2.gz YWHWINVKNKGNHO-QGZVFWFLSA-N 1 1 312.457 4.356 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(C#N)c1F ZINC000542773963 341019892 /nfs/dbraw/zinc/01/98/92/341019892.db2.gz IDSRCFYNLMBAKQ-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172737 341035154 /nfs/dbraw/zinc/03/51/54/341035154.db2.gz LVSKEYFBOYOWOZ-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182021 341035716 /nfs/dbraw/zinc/03/57/16/341035716.db2.gz MKJWYEPLRNUWKU-AUUYWEPGSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000543193089 341036232 /nfs/dbraw/zinc/03/62/32/341036232.db2.gz YJIWYWIOYJSNSL-KRWDZBQOSA-N 1 1 322.452 4.072 20 30 DIEDMO N#CCc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)cc1 ZINC000543206534 341036690 /nfs/dbraw/zinc/03/66/90/341036690.db2.gz VKSKZXYCMFSNGM-UHFFFAOYSA-N 1 1 308.400 4.304 20 30 DIEDMO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1nc(C)cs1 ZINC000543485052 341046952 /nfs/dbraw/zinc/04/69/52/341046952.db2.gz HIZAVYMCAMRIEB-HNNXBMFYSA-N 1 1 304.846 4.197 20 30 DIEDMO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000543513408 341048252 /nfs/dbraw/zinc/04/82/52/341048252.db2.gz UPMXPEAJOCRNSH-LLVKDONJSA-N 1 1 315.417 4.212 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915509 341063363 /nfs/dbraw/zinc/06/33/63/341063363.db2.gz AJTQAWMZSRHYFV-KGLIPLIRSA-N 1 1 315.383 4.284 20 30 DIEDMO COc1ccc(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000544110035 341070458 /nfs/dbraw/zinc/07/04/58/341070458.db2.gz HODFJKULCWGFJB-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000544144049 341071872 /nfs/dbraw/zinc/07/18/72/341071872.db2.gz OEUCWQUYZHADCQ-DYESRHJHSA-N 1 1 304.437 4.206 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000545869959 341143600 /nfs/dbraw/zinc/14/36/00/341143600.db2.gz IBMMWTOTAOWKRG-LJQANCHMSA-N 1 1 308.425 4.356 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000132964676 341150725 /nfs/dbraw/zinc/15/07/25/341150725.db2.gz CHXOKCRDLFEUND-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000074989666 341159203 /nfs/dbraw/zinc/15/92/03/341159203.db2.gz IEUHBXPVTLXJAU-MSOLQXFVSA-N 1 1 302.487 4.291 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134324789 341213057 /nfs/dbraw/zinc/21/30/57/341213057.db2.gz JTVINLIOVPTABF-UHFFFAOYSA-N 1 1 314.473 4.124 20 30 DIEDMO C[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccc(C#N)c1 ZINC000078519173 341243333 /nfs/dbraw/zinc/24/33/33/341243333.db2.gz UDSZMTNDTPIQKC-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO C[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1cccc(C#N)c1 ZINC000078519173 341243334 /nfs/dbraw/zinc/24/33/34/341243334.db2.gz UDSZMTNDTPIQKC-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO Cc1cc(Br)c2c(c1)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000548622884 341267578 /nfs/dbraw/zinc/26/75/78/341267578.db2.gz COBIJDOCKKPVBV-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO Cc1cc(Br)c2c(c1)C[N@H+](CCC(C)(C)C#N)CC2 ZINC000548622884 341267579 /nfs/dbraw/zinc/26/75/79/341267579.db2.gz COBIJDOCKKPVBV-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO N#CCSCCC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000080626557 341274320 /nfs/dbraw/zinc/27/43/20/341274320.db2.gz QUFQGCQYEKZSEU-HXUWFJFHSA-N 1 1 322.477 4.281 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000548788345 341275652 /nfs/dbraw/zinc/27/56/52/341275652.db2.gz LULMCUNPNBQUGM-QGZVFWFLSA-N 1 1 305.381 4.012 20 30 DIEDMO CC(C)COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000549377320 341292663 /nfs/dbraw/zinc/29/26/63/341292663.db2.gz KTYOWQRBPYPQEL-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527943 341296376 /nfs/dbraw/zinc/29/63/76/341296376.db2.gz YNHKDIPNYYDUKC-WBVHZDCISA-N 1 1 305.425 4.258 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551404896 341340723 /nfs/dbraw/zinc/34/07/23/341340723.db2.gz DHSPQQXFXOLKPR-QGZVFWFLSA-N 1 1 310.363 4.165 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551404896 341340724 /nfs/dbraw/zinc/34/07/24/341340724.db2.gz DHSPQQXFXOLKPR-QGZVFWFLSA-N 1 1 310.363 4.165 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000552129647 341371670 /nfs/dbraw/zinc/37/16/70/341371670.db2.gz CGOPKCAZAFUIAV-INIZCTEOSA-N 1 1 306.837 4.123 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000552290909 341384512 /nfs/dbraw/zinc/38/45/12/341384512.db2.gz YVYCTOKYHDJEIP-SJKOYZFVSA-N 1 1 300.402 4.342 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N[C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248740486 341385644 /nfs/dbraw/zinc/38/56/44/341385644.db2.gz FAHVPMNUMSMDHH-YVWKXTFCSA-N 1 1 311.473 4.413 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249444322 341397625 /nfs/dbraw/zinc/39/76/25/341397625.db2.gz KRHHOWQLAJQAFN-JXXFODFXSA-N 1 1 306.409 4.081 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000249444322 341397626 /nfs/dbraw/zinc/39/76/26/341397626.db2.gz KRHHOWQLAJQAFN-JXXFODFXSA-N 1 1 306.409 4.081 20 30 DIEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000131303864 523024651 /nfs/dbraw/zinc/02/46/51/523024651.db2.gz ATELKDJSJAYAMK-KBXCAEBGSA-N 1 1 310.397 4.196 20 30 DIEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC(C)(C)CC1 ZINC000127673382 523607576 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4.063 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](CC(CC)(CC)CNC(=O)OC(C)(C)C)C1 ZINC001206800043 1035882705 /nfs/dbraw/zinc/88/27/05/1035882705.db2.gz HPFCEEBIFQUGBM-MRXNPFEDSA-N 1 1 324.509 4.216 20 30 DIEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2c2cc(F)ccc2F)cc1 ZINC001208926239 1035947838 /nfs/dbraw/zinc/94/78/38/1035947838.db2.gz LZRQMFNHGVDFAP-IBGZPJMESA-N 1 1 312.363 4.216 20 30 DIEDMO C=CCCCCC[NH+]1CCC(N(C)Cc2ccccc2)CC1 ZINC001209427435 1036163054 /nfs/dbraw/zinc/16/30/54/1036163054.db2.gz QNHVXMNLFNHIJL-UHFFFAOYSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCCN1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC001209427435 1036163058 /nfs/dbraw/zinc/16/30/58/1036163058.db2.gz QNHVXMNLFNHIJL-UHFFFAOYSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCCN1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC001209427435 1036163067 /nfs/dbraw/zinc/16/30/67/1036163067.db2.gz QNHVXMNLFNHIJL-UHFFFAOYSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCCCC[N@H+]1CCC[C@]2(C[C@H](OCC=C)CO2)C1 ZINC001209439459 1036185487 /nfs/dbraw/zinc/18/54/87/1036185487.db2.gz 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4.451 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000068751522 1038589258 /nfs/dbraw/zinc/58/92/58/1038589258.db2.gz BNPGLZXBVIYTQE-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000119871352 1038591020 /nfs/dbraw/zinc/59/10/20/1038591020.db2.gz PUYQLCMNHNENDK-CQSZACIVSA-N 1 1 310.445 4.162 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168422190 1038621402 /nfs/dbraw/zinc/62/14/02/1038621402.db2.gz WHDCLGBVVLYEJI-HXUWFJFHSA-N 1 1 308.400 4.099 20 30 DIEDMO N#CCC[N@@H+](CCCOc1cccc2ccccc21)CC1CC1 ZINC001167558955 1038624115 /nfs/dbraw/zinc/62/41/15/1038624115.db2.gz VGCLKELFFCJUTA-UHFFFAOYSA-N 1 1 308.425 4.234 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1ccc(C#N)cc1F ZINC000611586164 1038631636 /nfs/dbraw/zinc/63/16/36/1038631636.db2.gz HBDPPJLNKUZMCW-MNOVXSKESA-N 1 1 304.315 4.387 20 30 DIEDMO C=CCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000606896521 1038636182 /nfs/dbraw/zinc/63/61/82/1038636182.db2.gz XREGPLNTGUDSMW-UHFFFAOYSA-N 1 1 317.864 4.210 20 30 DIEDMO Cc1cc([NH+]2CCCCC2)ccc1Nc1ccc(C#N)cc1N ZINC001213365357 1038651073 /nfs/dbraw/zinc/65/10/73/1038651073.db2.gz KMLBHYFKCBOWOA-UHFFFAOYSA-N 1 1 306.413 4.183 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000934469315 1038669248 /nfs/dbraw/zinc/66/92/48/1038669248.db2.gz APZRQBUYTVLBEB-LLVKDONJSA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000934469315 1038669252 /nfs/dbraw/zinc/66/92/52/1038669252.db2.gz APZRQBUYTVLBEB-LLVKDONJSA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297676 1038691074 /nfs/dbraw/zinc/69/10/74/1038691074.db2.gz TXLHHIYKWHQOJF-UHFFFAOYSA-N 1 1 316.788 4.436 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297676 1038691078 /nfs/dbraw/zinc/69/10/78/1038691078.db2.gz TXLHHIYKWHQOJF-UHFFFAOYSA-N 1 1 316.788 4.436 20 30 DIEDMO CCCC[N@H+]1Cc2cccc(N=Cc3cccc(OC)c3O)c2C1 ZINC000255515172 1038708023 /nfs/dbraw/zinc/70/80/23/1038708023.db2.gz QNQHCWIGMOSFJR-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000607749967 1038722841 /nfs/dbraw/zinc/72/28/41/1038722841.db2.gz ACEDDFSJBWVYEK-IBGZPJMESA-N 1 1 309.409 4.207 20 30 DIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736722 1038751794 /nfs/dbraw/zinc/75/17/94/1038751794.db2.gz QLTWMEVFRJUARN-QGZVFWFLSA-N 1 1 311.454 4.027 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597876 1038754540 /nfs/dbraw/zinc/75/45/40/1038754540.db2.gz APCXIZGWAGAGMY-KRWDZBQOSA-N 1 1 309.400 4.037 20 30 DIEDMO N#C[C@H]1CCC[N@H+](CCCc2ccc(Br)cc2)CC1 ZINC001207321822 1038770653 /nfs/dbraw/zinc/77/06/53/1038770653.db2.gz ATOKBPFZKLFQIX-HNNXBMFYSA-N 1 1 321.262 4.007 20 30 DIEDMO COc1ccc(F)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751082 1038840817 /nfs/dbraw/zinc/84/08/17/1038840817.db2.gz LSYJIZGLANXURI-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)[N@@H+](CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063750960 1038840949 /nfs/dbraw/zinc/84/09/49/1038840949.db2.gz IVAPZQWIRXYFFD-UHFFFAOYSA-N 1 1 308.425 4.238 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000534126894 1038989425 /nfs/dbraw/zinc/98/94/25/1038989425.db2.gz USVHKCKCJYUEMO-UHFFFAOYSA-N 1 1 321.367 4.177 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000534126894 1038989436 /nfs/dbraw/zinc/98/94/36/1038989436.db2.gz USVHKCKCJYUEMO-UHFFFAOYSA-N 1 1 321.367 4.177 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC000534342251 1039030767 /nfs/dbraw/zinc/03/07/67/1039030767.db2.gz ZLHNECCKVBYECI-UHFFFAOYSA-N 1 1 308.425 4.390 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC000534342251 1039030787 /nfs/dbraw/zinc/03/07/87/1039030787.db2.gz ZLHNECCKVBYECI-UHFFFAOYSA-N 1 1 308.425 4.390 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000534336450 1039041689 /nfs/dbraw/zinc/04/16/89/1039041689.db2.gz SMAHIXWXNSREHV-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000534336450 1039041710 /nfs/dbraw/zinc/04/17/10/1039041710.db2.gz SMAHIXWXNSREHV-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000534336450 1039041725 /nfs/dbraw/zinc/04/17/25/1039041725.db2.gz SMAHIXWXNSREHV-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO C=CCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646786 1039079433 /nfs/dbraw/zinc/07/94/33/1039079433.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 1 1 312.501 4.329 20 30 DIEDMO C=CCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646786 1039079449 /nfs/dbraw/zinc/07/94/49/1039079449.db2.gz GSKJDLNHYOJYMF-LEWJYISDSA-N 1 1 312.501 4.329 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)c1cccc(C#N)c1 ZINC000442670682 1039101833 /nfs/dbraw/zinc/10/18/33/1039101833.db2.gz DSEOONAMZKSKCW-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO CCCCCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC001127225809 1039132327 /nfs/dbraw/zinc/13/23/27/1039132327.db2.gz ATTKEJKTPDZGTC-HDICACEKSA-N 1 1 310.526 4.458 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)cc1OC ZINC000124690110 1039215398 /nfs/dbraw/zinc/21/53/98/1039215398.db2.gz QMDCWTNDSKWBTH-MRXNPFEDSA-N 1 1 316.445 4.171 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000442889686 1039242089 /nfs/dbraw/zinc/24/20/89/1039242089.db2.gz FVFWWEKTVWSBHW-IERDGZPVSA-N 1 1 318.420 4.141 20 30 DIEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000064140928 1039313428 /nfs/dbraw/zinc/31/34/28/1039313428.db2.gz WLYFLTXXQIIPQR-CYBMUJFWSA-N 1 1 316.351 4.353 20 30 DIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000080346621 1039321392 /nfs/dbraw/zinc/32/13/92/1039321392.db2.gz WDPBVXNZRJXVQJ-UHFFFAOYSA-N 1 1 302.443 4.041 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cc1 ZINC000539818274 1039344920 /nfs/dbraw/zinc/34/49/20/1039344920.db2.gz OPOVEROGDLIWQP-GOSISDBHSA-N 1 1 323.436 4.250 20 30 DIEDMO COc1ccc(OC)c(C[N@@H+](CCC(C)(C)C#N)C(C)(C)C)c1 ZINC000540665847 1039539746 /nfs/dbraw/zinc/53/97/46/1039539746.db2.gz UPAYNLPJQWBIDP-UHFFFAOYSA-N 1 1 318.461 4.244 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000584076799 1039593769 /nfs/dbraw/zinc/59/37/69/1039593769.db2.gz PCDSTPSFHVRVNS-LJQANCHMSA-N 1 1 324.424 4.159 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2ccccc2C)o1 ZINC000540915446 1039595566 /nfs/dbraw/zinc/59/55/66/1039595566.db2.gz ASUJLZIOGTUYBL-UHFFFAOYSA-N 1 1 322.408 4.474 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2ccccc2C)o1 ZINC000540915446 1039595584 /nfs/dbraw/zinc/59/55/84/1039595584.db2.gz ASUJLZIOGTUYBL-UHFFFAOYSA-N 1 1 322.408 4.474 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccccc2)C(C)(C)C)c(C#N)c1 ZINC001137698188 1039628103 /nfs/dbraw/zinc/62/81/03/1039628103.db2.gz NEOOQQUNJGOMJJ-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000541316845 1039662221 /nfs/dbraw/zinc/66/22/21/1039662221.db2.gz JUDLJOKVBWFHNS-MGPUTAFESA-N 1 1 306.409 4.150 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC(C)(C)C1 ZINC000541553492 1039702563 /nfs/dbraw/zinc/70/25/63/1039702563.db2.gz QSROVWZMEJWUQZ-INIZCTEOSA-N 1 1 300.446 4.237 20 30 DIEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000464786067 1039757635 /nfs/dbraw/zinc/75/76/35/1039757635.db2.gz KBJPYYMZJJEVQD-HXUWFJFHSA-N 1 1 310.416 4.396 20 30 DIEDMO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000542164606 1039804863 /nfs/dbraw/zinc/80/48/63/1039804863.db2.gz AFTDHPKKCXFTOM-ATZDWAIDSA-N 1 1 310.466 4.451 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000542202724 1039814315 /nfs/dbraw/zinc/81/43/15/1039814315.db2.gz WZQRJENCGHPHMN-UHFFFAOYSA-N 1 1 303.409 4.035 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2cccs2)o1 ZINC000491406622 1039842476 /nfs/dbraw/zinc/84/24/76/1039842476.db2.gz AFBSORVXONGRCB-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2cccs2)o1 ZINC000491406622 1039842504 /nfs/dbraw/zinc/84/25/04/1039842504.db2.gz AFBSORVXONGRCB-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000492140477 1039923632 /nfs/dbraw/zinc/92/36/32/1039923632.db2.gz HEAGMSDWXXOGQX-INIZCTEOSA-N 1 1 300.377 4.026 20 30 DIEDMO Cc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)ccc1C#N ZINC000443976886 1039991340 /nfs/dbraw/zinc/99/13/40/1039991340.db2.gz BMWOLYIPUUGSGM-FQEVSTJZSA-N 1 1 302.377 4.339 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](CC)c1ccccc1 ZINC000685442380 1040048620 /nfs/dbraw/zinc/04/86/20/1040048620.db2.gz YKUDOOAQCDYZAU-KRWDZBQOSA-N 1 1 313.441 4.344 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000480579966 1040111847 /nfs/dbraw/zinc/11/18/47/1040111847.db2.gz QGEKHZAXUKURDQ-CVEARBPZSA-N 1 1 306.862 4.072 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000480579966 1040111850 /nfs/dbraw/zinc/11/18/50/1040111850.db2.gz QGEKHZAXUKURDQ-CVEARBPZSA-N 1 1 306.862 4.072 20 30 DIEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC001167684442 1040397125 /nfs/dbraw/zinc/39/71/25/1040397125.db2.gz GNUGRFLOUHQMOH-IAGOWNOFSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCCC[C@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217894893 1040450678 /nfs/dbraw/zinc/45/06/78/1040450678.db2.gz GTZDPBDHSJBPFG-IRXDYDNUSA-N 1 1 315.498 4.203 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463755 1040464301 /nfs/dbraw/zinc/46/43/01/1040464301.db2.gz UAWMMBIETZAUTF-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)c1cccc(OC)c1 ZINC000179470645 1040464339 /nfs/dbraw/zinc/46/43/39/1040464339.db2.gz BREHIPKPKDHBDX-CYBMUJFWSA-N 1 1 300.427 4.211 20 30 DIEDMO CC[N@@H+](Cc1cnc2ccc(C)cn12)[C@H](C)c1ccc(C#N)cc1 ZINC000179464727 1040465181 /nfs/dbraw/zinc/46/51/81/1040465181.db2.gz JVXCMNPSLUHKES-MRXNPFEDSA-N 1 1 318.424 4.098 20 30 DIEDMO Cc1ccccc1C1CC([N@H+](Cc2nc(C#N)cs2)C2CC2)C1 ZINC000356116257 1040539669 /nfs/dbraw/zinc/53/96/69/1040539669.db2.gz UPQJDIUDKQDMDL-UHFFFAOYSA-N 1 1 323.465 4.234 20 30 DIEDMO Cc1ccccc1C1CC([N@@H+](Cc2nc(C#N)cs2)C2CC2)C1 ZINC000356116257 1040539685 /nfs/dbraw/zinc/53/96/85/1040539685.db2.gz UPQJDIUDKQDMDL-UHFFFAOYSA-N 1 1 323.465 4.234 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000065959605 1040627448 /nfs/dbraw/zinc/62/74/48/1040627448.db2.gz MZCLBRPETNXXBP-UHFFFAOYSA-N 1 1 315.420 4.042 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000612584820 1040650125 /nfs/dbraw/zinc/65/01/25/1040650125.db2.gz BBVJRZKJYMLBJQ-UHFFFAOYSA-N 1 1 312.388 4.044 20 30 DIEDMO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1ccc(C#N)cc1 ZINC000365491212 1040658265 /nfs/dbraw/zinc/65/82/65/1040658265.db2.gz KOAOOGMBOPMIMR-JKSUJKDBSA-N 1 1 314.335 4.011 20 30 DIEDMO C[N@@H+](CCSc1ccc(C#N)cc1F)Cc1ccc(F)cc1 ZINC000612998836 1040755722 /nfs/dbraw/zinc/75/57/22/1040755722.db2.gz WZJBDEWSTGUFMY-UHFFFAOYSA-N 1 1 318.392 4.061 20 30 DIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130351 1040797870 /nfs/dbraw/zinc/79/78/70/1040797870.db2.gz NWDNSQSJSPTKGZ-LJQANCHMSA-N 1 1 319.452 4.141 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000580920266 1040836940 /nfs/dbraw/zinc/83/69/40/1040836940.db2.gz CGLOCAULWWTKNR-GOSISDBHSA-N 1 1 319.433 4.088 20 30 DIEDMO C[N@H+](CCCC#N)CCCCCc1cc(-c2ccccc2)no1 ZINC000170648632 1041001900 /nfs/dbraw/zinc/00/19/00/1041001900.db2.gz BCKZIBDBHWZSNY-UHFFFAOYSA-N 1 1 311.429 4.290 20 30 DIEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(OC(F)(F)F)c1 ZINC001143468612 1041059395 /nfs/dbraw/zinc/05/93/95/1041059395.db2.gz IPWUGEKVRUGFBQ-XMQYKBBCSA-N 1 1 324.346 4.160 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175953802 1041120014 /nfs/dbraw/zinc/12/00/14/1041120014.db2.gz VKJLTTSZOUHLCA-LJQANCHMSA-N 1 1 314.473 4.040 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)c1 ZINC000180791169 1041210910 /nfs/dbraw/zinc/21/09/10/1041210910.db2.gz AWIFGIPYQKGXON-UHFFFAOYSA-N 1 1 304.349 4.233 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001158530209 1041282872 /nfs/dbraw/zinc/28/28/72/1041282872.db2.gz XUZDYZPWTBANMC-UYAOXDASSA-N 1 1 322.537 4.317 20 30 DIEDMO C=CCCC(C)(C)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001132193709 1041359788 /nfs/dbraw/zinc/35/97/88/1041359788.db2.gz VNIBSWHZRNEDHF-MRXNPFEDSA-N 1 1 322.880 4.051 20 30 DIEDMO N#CCC1(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)CC1 ZINC001170615281 1041440684 /nfs/dbraw/zinc/44/06/84/1041440684.db2.gz XKRKNTFIJSBUIO-HXUWFJFHSA-N 1 1 302.421 4.328 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000290649899 1041526516 /nfs/dbraw/zinc/52/65/16/1041526516.db2.gz ZBCHJXRVJCRWCK-GOSISDBHSA-N 1 1 308.429 4.016 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1 ZINC000811516047 1041529449 /nfs/dbraw/zinc/52/94/49/1041529449.db2.gz CHHXZGCOWPFGLP-QGZVFWFLSA-N 1 1 322.795 4.058 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001170637799 1041538421 /nfs/dbraw/zinc/53/84/21/1041538421.db2.gz CXDDQXWRARFMAZ-CBGDNZLLSA-N 1 1 320.436 4.355 20 30 DIEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NOC/C=C\Cl)CC1 ZINC000811669404 1041552907 /nfs/dbraw/zinc/55/29/07/1041552907.db2.gz DOQOPXDBLMFESY-ZYRNXCQESA-N 1 1 306.837 4.186 20 30 DIEDMO CC[N@@H+](Cc1cn2cc(C)ccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000120249301 1041561268 /nfs/dbraw/zinc/56/12/68/1041561268.db2.gz BWXNIMXRMJQODT-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CC[C@H]1C(F)(F)F ZINC000190178341 1041580664 /nfs/dbraw/zinc/58/06/64/1041580664.db2.gz NNUYCTWHDYTZLH-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1C(F)(F)F ZINC000190178341 1041580674 /nfs/dbraw/zinc/58/06/74/1041580674.db2.gz NNUYCTWHDYTZLH-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC000014308548 1041594524 /nfs/dbraw/zinc/59/45/24/1041594524.db2.gz VGAGCYSFXVUGNS-LJQANCHMSA-N 1 1 323.436 4.466 20 30 DIEDMO C=CCCCCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000812778825 1041646571 /nfs/dbraw/zinc/64/65/71/1041646571.db2.gz PHYXAECRIJSGLK-PXNSSMCTSA-N 1 1 316.489 4.190 20 30 DIEDMO C=CCCCCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000812778824 1041646639 /nfs/dbraw/zinc/64/66/39/1041646639.db2.gz PHYXAECRIJSGLK-FXAWDEMLSA-N 1 1 316.489 4.190 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793979 1041650850 /nfs/dbraw/zinc/65/08/50/1041650850.db2.gz LYBBLANSUWODBX-MRXNPFEDSA-N 1 1 323.289 4.188 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)c1ccc(F)cc1 ZINC000812793978 1041651149 /nfs/dbraw/zinc/65/11/49/1041651149.db2.gz LYBBLANSUWODBX-INIZCTEOSA-N 1 1 323.289 4.188 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccc(F)cc1 ZINC000812792817 1041651155 /nfs/dbraw/zinc/65/11/55/1041651155.db2.gz IGPBJQWQYCAJHJ-FQEVSTJZSA-N 1 1 309.384 4.079 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812849048 1041656088 /nfs/dbraw/zinc/65/60/88/1041656088.db2.gz FWBNNIWGGLXYIW-SJLPKXTDSA-N 1 1 302.462 4.150 20 30 DIEDMO C=CCCOCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925632023 1041711226 /nfs/dbraw/zinc/71/12/26/1041711226.db2.gz NOCTZAJEPWHVAU-GOSISDBHSA-N 1 1 316.832 4.007 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000566624235 1041750111 /nfs/dbraw/zinc/75/01/11/1041750111.db2.gz PNLOWVJCETUCBY-CJNGLKHVSA-N 1 1 308.347 4.342 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000561842192 1041791170 /nfs/dbraw/zinc/79/11/70/1041791170.db2.gz VFUCUVJYEYTMRM-LLVKDONJSA-N 1 1 319.246 4.084 20 30 DIEDMO C[N@H+](Cc1cccc(SC(F)(F)F)c1)CC(C)(C)C#N ZINC000814668751 1041850684 /nfs/dbraw/zinc/85/06/84/1041850684.db2.gz BIZGIJZNNLBUNU-UHFFFAOYSA-N 1 1 302.365 4.280 20 30 DIEDMO C[N@@H+](Cc1cccc(SC(F)(F)F)c1)CC(C)(C)C#N ZINC000814668751 1041850690 /nfs/dbraw/zinc/85/06/90/1041850690.db2.gz BIZGIJZNNLBUNU-UHFFFAOYSA-N 1 1 302.365 4.280 20 30 DIEDMO C#Cc1ccc(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)cc1 ZINC001134708809 1041876960 /nfs/dbraw/zinc/87/69/60/1041876960.db2.gz QDMREZOVCJYKPD-UHFFFAOYSA-N 1 1 320.436 4.151 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(Br)c1 ZINC000815010781 1041902754 /nfs/dbraw/zinc/90/27/54/1041902754.db2.gz ZCMJZJAFWYTUHF-UHFFFAOYSA-N 1 1 317.230 4.032 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(Br)c1 ZINC000815010781 1041902758 /nfs/dbraw/zinc/90/27/58/1041902758.db2.gz ZCMJZJAFWYTUHF-UHFFFAOYSA-N 1 1 317.230 4.032 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815010623 1041903171 /nfs/dbraw/zinc/90/31/71/1041903171.db2.gz LYPWZGFRLJIGMF-MRXNPFEDSA-N 1 1 313.422 4.216 20 30 DIEDMO C=CCC(F)(F)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000815035829 1041908221 /nfs/dbraw/zinc/90/82/21/1041908221.db2.gz PBUVUTZHQNREAF-AWEZNQCLSA-N 1 1 322.399 4.211 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092597 1041912437 /nfs/dbraw/zinc/91/24/37/1041912437.db2.gz LWDQQYBAKQZJPM-XPKDYRNWSA-N 1 1 308.347 4.187 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092594 1041912843 /nfs/dbraw/zinc/91/28/43/1041912843.db2.gz LWDQQYBAKQZJPM-INWMFGNUSA-N 1 1 308.347 4.187 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000661379082 1041929547 /nfs/dbraw/zinc/92/95/47/1041929547.db2.gz SGFRMOTUCMASNF-CYBMUJFWSA-N 1 1 317.820 4.178 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1C(C)(C)C#N ZINC000487354395 1041935318 /nfs/dbraw/zinc/93/53/18/1041935318.db2.gz GELHCHWGTZLXEI-UHFFFAOYSA-N 1 1 310.416 4.301 20 30 DIEDMO Cc1ccc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1C#N ZINC001170781665 1041940948 /nfs/dbraw/zinc/94/09/48/1041940948.db2.gz AXZWWYHFQWRPTB-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO C#CCCCCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC001170784697 1041950035 /nfs/dbraw/zinc/95/00/35/1041950035.db2.gz WKQCANOLIYRJQG-UHFFFAOYSA-N 1 1 304.522 4.301 20 30 DIEDMO C#CCCCCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC001170784697 1041950040 /nfs/dbraw/zinc/95/00/40/1041950040.db2.gz WKQCANOLIYRJQG-UHFFFAOYSA-N 1 1 304.522 4.301 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1O ZINC000815560463 1041962913 /nfs/dbraw/zinc/96/29/13/1041962913.db2.gz ILLZARZGGHJBJV-LLVKDONJSA-N 1 1 320.314 4.133 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341576766 1041988698 /nfs/dbraw/zinc/98/86/98/1041988698.db2.gz UHTDYLAUGYWPBT-INIZCTEOSA-N 1 1 322.305 4.481 20 30 DIEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)(C)C ZINC000661755399 1041990351 /nfs/dbraw/zinc/99/03/51/1041990351.db2.gz PQLSICRXIJLJIM-UHFFFAOYSA-N 1 1 305.809 4.177 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000662080263 1042057885 /nfs/dbraw/zinc/05/78/85/1042057885.db2.gz OJQPIYWRUFHNTA-GASCZTMLSA-N 1 1 315.804 4.073 20 30 DIEDMO C#CC[N@@H+](Cc1conc1Cc1ccccc1)C1CCCCC1 ZINC000816497829 1042059973 /nfs/dbraw/zinc/05/99/73/1042059973.db2.gz UMXFSDTXZUVPCJ-UHFFFAOYSA-N 1 1 308.425 4.033 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccccc1 ZINC000816558786 1042069182 /nfs/dbraw/zinc/06/91/82/1042069182.db2.gz LKNHDHCJAMBVIX-MRXNPFEDSA-N 1 1 303.764 4.039 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000816619702 1042074981 /nfs/dbraw/zinc/07/49/81/1042074981.db2.gz QZKADMQWYPHQDK-YLJYHZDGSA-N 1 1 320.436 4.357 20 30 DIEDMO Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000599635687 1042077438 /nfs/dbraw/zinc/07/74/38/1042077438.db2.gz KBRFGRHXHAMBHB-HNNXBMFYSA-N 1 1 307.235 4.198 20 30 DIEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000817287256 1042100137 /nfs/dbraw/zinc/10/01/37/1042100137.db2.gz LUKYDKWHQQKMEP-KSSFIOAISA-N 1 1 314.454 4.125 20 30 DIEDMO Cc1cc([C@H]2C[N@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000128551660 1042109781 /nfs/dbraw/zinc/10/97/81/1042109781.db2.gz PDWJLESKURGDLP-MGPUTAFESA-N 1 1 324.399 4.140 20 30 DIEDMO Cc1cc([C@H]2C[N@@H+]([C@@H](C)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000128551660 1042109784 /nfs/dbraw/zinc/10/97/84/1042109784.db2.gz PDWJLESKURGDLP-MGPUTAFESA-N 1 1 324.399 4.140 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000818170038 1042141930 /nfs/dbraw/zinc/14/19/30/1042141930.db2.gz KXESTAKAKSBJCV-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO C=C(C)CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001136228562 1042185401 /nfs/dbraw/zinc/18/54/01/1042185401.db2.gz OLDOCOVNIXSYJY-KRWDZBQOSA-N 1 1 314.473 4.034 20 30 DIEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170935113 1042192551 /nfs/dbraw/zinc/19/25/51/1042192551.db2.gz GXXPLOPMLSBZAA-MRXNPFEDSA-N 1 1 302.849 4.356 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170941906 1042202205 /nfs/dbraw/zinc/20/22/05/1042202205.db2.gz GUFRVWOKLGWMTD-QGZVFWFLSA-N 1 1 310.828 4.201 20 30 DIEDMO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCCCC1 ZINC000822542100 1042291420 /nfs/dbraw/zinc/29/14/20/1042291420.db2.gz PLRKDZVSVYFSJB-UHFFFAOYSA-N 1 1 324.428 4.041 20 30 DIEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990255 1042291483 /nfs/dbraw/zinc/29/14/83/1042291483.db2.gz JSKJRWBZVARYAK-IAGOWNOFSA-N 1 1 322.493 4.064 20 30 DIEDMO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000572024174 1042300618 /nfs/dbraw/zinc/30/06/18/1042300618.db2.gz BZYFXWOAKJXPIV-LJQANCHMSA-N 1 1 324.399 4.071 20 30 DIEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001171006491 1042314067 /nfs/dbraw/zinc/31/40/67/1042314067.db2.gz HTEMYBXJLZPKSO-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000823643776 1042336305 /nfs/dbraw/zinc/33/63/05/1042336305.db2.gz RUTFNAVZMPLZCW-WOJBJXKFSA-N 1 1 320.436 4.065 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000614168829 1042419977 /nfs/dbraw/zinc/41/99/77/1042419977.db2.gz WOHLZENIGFIAGB-HXUWFJFHSA-N 1 1 322.452 4.043 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000614168527 1042420405 /nfs/dbraw/zinc/42/04/05/1042420405.db2.gz HYIZNVNHWSNXIE-UHFFFAOYSA-N 1 1 312.457 4.023 20 30 DIEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614170509 1042421324 /nfs/dbraw/zinc/42/13/24/1042421324.db2.gz APBWSKSAIHWDQR-IBGZPJMESA-N 1 1 307.441 4.163 20 30 DIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173964 1042421609 /nfs/dbraw/zinc/42/16/09/1042421609.db2.gz DEEFQNUHRILQIY-HNNXBMFYSA-N 1 1 308.425 4.386 20 30 DIEDMO COc1ccccc1C[N@H+](CCCC#N)Cc1cccs1 ZINC000067128095 1042421832 /nfs/dbraw/zinc/42/18/32/1042421832.db2.gz ZHJVAQVWVCYQLC-UHFFFAOYSA-N 1 1 300.427 4.063 20 30 DIEDMO COc1ccccc1C[N@@H+](CCCC#N)Cc1cccs1 ZINC000067128095 1042421833 /nfs/dbraw/zinc/42/18/33/1042421833.db2.gz ZHJVAQVWVCYQLC-UHFFFAOYSA-N 1 1 300.427 4.063 20 30 DIEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614183904 1042424910 /nfs/dbraw/zinc/42/49/10/1042424910.db2.gz NECCMANXPGVRNW-AWEZNQCLSA-N 1 1 313.470 4.180 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235806 1042442594 /nfs/dbraw/zinc/44/25/94/1042442594.db2.gz IAGUITZUWWNYFB-KRWDZBQOSA-N 1 1 324.472 4.078 20 30 DIEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCCCC1 ZINC000411659707 1042459492 /nfs/dbraw/zinc/45/94/92/1042459492.db2.gz HMRWPAWZNWBPPT-IPMKNSEASA-N 1 1 318.505 4.256 20 30 DIEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692594 1042459726 /nfs/dbraw/zinc/45/97/26/1042459726.db2.gz KWGOPRBPKBUSAC-SWLSCSKDSA-N 1 1 314.326 4.268 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692594 1042459729 /nfs/dbraw/zinc/45/97/29/1042459729.db2.gz KWGOPRBPKBUSAC-SWLSCSKDSA-N 1 1 314.326 4.268 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000120520500 1042467894 /nfs/dbraw/zinc/46/78/94/1042467894.db2.gz JEKVIOJWKSSDCD-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000120520500 1042467899 /nfs/dbraw/zinc/46/78/99/1042467899.db2.gz JEKVIOJWKSSDCD-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000614396115 1042489877 /nfs/dbraw/zinc/48/98/77/1042489877.db2.gz WUTRMKBRQVURAK-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)c1cccc(OC)c1 ZINC000614397563 1042490615 /nfs/dbraw/zinc/49/06/15/1042490615.db2.gz DZZOWKHVNXSDHP-MRXNPFEDSA-N 1 1 308.425 4.458 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000614402613 1042491809 /nfs/dbraw/zinc/49/18/09/1042491809.db2.gz NDNZWIFVEVWCMT-UHFFFAOYSA-N 1 1 300.471 4.118 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000614402243 1042492037 /nfs/dbraw/zinc/49/20/37/1042492037.db2.gz OHKICWLYEWOUBT-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO CCc1ccc([C@@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000513392821 1042537089 /nfs/dbraw/zinc/53/70/89/1042537089.db2.gz YHZNCRWLCIUESE-GOSISDBHSA-N 1 1 302.487 4.075 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)s1 ZINC000513509624 1042548821 /nfs/dbraw/zinc/54/88/21/1042548821.db2.gz UMCALEQOOZYPSL-MRXNPFEDSA-N 1 1 300.402 4.404 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000739914297 1042587955 /nfs/dbraw/zinc/58/79/55/1042587955.db2.gz HJFVOUNGBZOXLX-UHFFFAOYSA-N 1 1 323.440 4.032 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OCc2ccccn2)cc1 ZINC000739914297 1042587958 /nfs/dbraw/zinc/58/79/58/1042587958.db2.gz HJFVOUNGBZOXLX-UHFFFAOYSA-N 1 1 323.440 4.032 20 30 DIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247979 1042702922 /nfs/dbraw/zinc/70/29/22/1042702922.db2.gz RAVFWYZYAKRRAX-MGPUTAFESA-N 1 1 307.441 4.032 20 30 DIEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000514183614 1042771820 /nfs/dbraw/zinc/77/18/20/1042771820.db2.gz NPXMJNRVZZSISP-LJQANCHMSA-N 1 1 308.400 4.213 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000425363447 1042796862 /nfs/dbraw/zinc/79/68/62/1042796862.db2.gz BRFYOKFRYFEDDY-OAHLLOKOSA-N 1 1 308.429 4.063 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000425363447 1042796864 /nfs/dbraw/zinc/79/68/64/1042796864.db2.gz BRFYOKFRYFEDDY-OAHLLOKOSA-N 1 1 308.429 4.063 20 30 DIEDMO CC(C)Cc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425367472 1042798580 /nfs/dbraw/zinc/79/85/80/1042798580.db2.gz STDYYIPVYRVHPH-CQSZACIVSA-N 1 1 313.470 4.406 20 30 DIEDMO CC(C)Cc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000425367472 1042798585 /nfs/dbraw/zinc/79/85/85/1042798585.db2.gz STDYYIPVYRVHPH-CQSZACIVSA-N 1 1 313.470 4.406 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CC=CCC1 ZINC000515023687 1042805147 /nfs/dbraw/zinc/80/51/47/1042805147.db2.gz LWDSCSVJVOYJIR-ZDUSSCGKSA-N 1 1 308.347 4.365 20 30 DIEDMO C=CCC(C)(C)C(=O)N1CC2(CC[N@@H+]2C[C@@H](CC)CCCC)C1 ZINC001269976789 1042807057 /nfs/dbraw/zinc/80/70/57/1042807057.db2.gz BESAUYDHTSPVOC-KRWDZBQOSA-N 1 1 320.521 4.092 20 30 DIEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cn2ccccc12 ZINC000515123756 1042809425 /nfs/dbraw/zinc/80/94/25/1042809425.db2.gz NRWFLRFKTFZXQW-LJQANCHMSA-N 1 1 315.420 4.018 20 30 DIEDMO CCCCCCCCC(=O)N1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001270164283 1042847378 /nfs/dbraw/zinc/84/73/78/1042847378.db2.gz TYYMLTKTSXAFPC-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO N#CCC1(C[NH2+]Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000517478590 1042882076 /nfs/dbraw/zinc/88/20/76/1042882076.db2.gz LJZVUMYYVHMYCN-UHFFFAOYSA-N 1 1 317.845 4.247 20 30 DIEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)c1cccc(OC)c1 ZINC000517626391 1042888715 /nfs/dbraw/zinc/88/87/15/1042888715.db2.gz OEWJDOUBXLXEIH-INIZCTEOSA-N 1 1 324.424 4.029 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440944625 1043014755 /nfs/dbraw/zinc/01/47/55/1043014755.db2.gz XNLGMNXSRUTKCL-QZTJIDSGSA-N 1 1 312.457 4.020 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332726 1043037508 /nfs/dbraw/zinc/03/75/08/1043037508.db2.gz RTGOPHWHZWUTPZ-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332726 1043037512 /nfs/dbraw/zinc/03/75/12/1043037512.db2.gz RTGOPHWHZWUTPZ-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000441348412 1043040308 /nfs/dbraw/zinc/04/03/08/1043040308.db2.gz CEGVOVASNZTGBL-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882889 1043055985 /nfs/dbraw/zinc/05/59/85/1043055985.db2.gz CKTZSBIKLJCTRP-UTKZUKDTSA-N 1 1 319.452 4.046 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1 ZINC000865822245 1043136978 /nfs/dbraw/zinc/13/69/78/1043136978.db2.gz BNXMRMSINBSCPN-LJQANCHMSA-N 1 1 315.363 4.028 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000865822244 1043137399 /nfs/dbraw/zinc/13/73/99/1043137399.db2.gz BNXMRMSINBSCPN-IBGZPJMESA-N 1 1 315.363 4.028 20 30 DIEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000487389273 1043157292 /nfs/dbraw/zinc/15/72/92/1043157292.db2.gz GSMLJTGCENCDBC-KRWDZBQOSA-N 1 1 302.487 4.061 20 30 DIEDMO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000866597242 1043229972 /nfs/dbraw/zinc/22/99/72/1043229972.db2.gz ZWWDTBQBENRTJS-FZKQIMNGSA-N 1 1 316.351 4.089 20 30 DIEDMO CC(C)CCC(N)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000049322573 1043262232 /nfs/dbraw/zinc/26/22/32/1043262232.db2.gz CDUGBLGWIFWXMZ-UHFFFAOYSA-N 1 1 309.460 4.097 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000121885177 1043265345 /nfs/dbraw/zinc/26/53/45/1043265345.db2.gz NFUFCVPOVGAFTR-OALUTQOASA-N 1 1 324.424 4.020 20 30 DIEDMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000173573550 1043293859 /nfs/dbraw/zinc/29/38/59/1043293859.db2.gz ZLYGBRROIDADBH-SFHVURJKSA-N 1 1 312.413 4.427 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000267384679 1043306952 /nfs/dbraw/zinc/30/69/52/1043306952.db2.gz VKBMVOMLBAWOLE-SFHVURJKSA-N 1 1 310.445 4.448 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCC#N ZINC000267384671 1043307871 /nfs/dbraw/zinc/30/78/71/1043307871.db2.gz VKBMVOMLBAWOLE-GOSISDBHSA-N 1 1 310.445 4.448 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC001202530714 1043346631 /nfs/dbraw/zinc/34/66/31/1043346631.db2.gz UMCXVJVPNZUFCF-FXAWDEMLSA-N 1 1 320.436 4.158 20 30 DIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C)cc1 ZINC000521222487 1043377067 /nfs/dbraw/zinc/37/70/67/1043377067.db2.gz BKLHPDJBDRJEQF-UHFFFAOYSA-N 1 1 303.409 4.142 20 30 DIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(C)cc1 ZINC000521222487 1043377075 /nfs/dbraw/zinc/37/70/75/1043377075.db2.gz BKLHPDJBDRJEQF-UHFFFAOYSA-N 1 1 303.409 4.142 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccc1C#N ZINC000442809760 1043429085 /nfs/dbraw/zinc/42/90/85/1043429085.db2.gz LJRIFOGUAHOVBC-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC000442808836 1043429467 /nfs/dbraw/zinc/42/94/67/1043429467.db2.gz IRZVSKUIKOLIQD-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO COc1cc(C[N@@H+](C)Cc2csc3ccccc23)ccc1C#N ZINC000442810954 1043430128 /nfs/dbraw/zinc/43/01/28/1043430128.db2.gz NUCCMXIPTJVSSU-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO COc1cc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)ccc1C#N ZINC000442815554 1043430220 /nfs/dbraw/zinc/43/02/20/1043430220.db2.gz VLZTYQBWGBMCMN-FQEVSTJZSA-N 1 1 318.420 4.219 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1C1CCC1 ZINC000925601608 1043435089 /nfs/dbraw/zinc/43/50/89/1043435089.db2.gz MFGNHIVMUBUDSU-YJBOKZPZSA-N 1 1 308.429 4.304 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(OC)c1 ZINC000442859894 1043437158 /nfs/dbraw/zinc/43/71/58/1043437158.db2.gz XXBWINPGLLNGKD-UHFFFAOYSA-N 1 1 314.454 4.083 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000558173912 1043450750 /nfs/dbraw/zinc/45/07/50/1043450750.db2.gz BNHSMZWPBOXJGC-LJQANCHMSA-N 1 1 308.425 4.344 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(O)ccc1F ZINC000872085883 1043454389 /nfs/dbraw/zinc/45/43/89/1043454389.db2.gz ROUSLMNQLIWRCH-CYBMUJFWSA-N 1 1 310.372 4.133 20 30 DIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000339153792 1043454861 /nfs/dbraw/zinc/45/48/61/1043454861.db2.gz VIRRMNMDPAYDAA-MRXNPFEDSA-N 1 1 302.466 4.150 20 30 DIEDMO C=CC[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714819 1043459459 /nfs/dbraw/zinc/45/94/59/1043459459.db2.gz BXBXLGCTEBXKHW-XLIONFOSSA-N 1 1 312.457 4.142 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc2occc2c1 ZINC000348646215 1043461623 /nfs/dbraw/zinc/46/16/23/1043461623.db2.gz PBXBFOHVZWYZSS-UHFFFAOYSA-N 1 1 311.381 4.096 20 30 DIEDMO N#CC1(CC[N@H+]2CCC[C@H](OC3CCC3)CC2)CCCCC1 ZINC000872282990 1043490854 /nfs/dbraw/zinc/49/08/54/1043490854.db2.gz ZUMSUFYTFAMAEO-SFHVURJKSA-N 1 1 304.478 4.274 20 30 DIEDMO CSc1nnc(SC)n1[NH+]=CC[C@H](C)CCC=C(C)C ZINC000872417297 1043497364 /nfs/dbraw/zinc/49/73/64/1043497364.db2.gz SXJRRCITXYUNKY-GFCCVEGCSA-N 1 1 312.508 4.328 20 30 DIEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1cccc(OCCCC#N)c1 ZINC000349252934 1043499320 /nfs/dbraw/zinc/49/93/20/1043499320.db2.gz VSIVXFNPURYLFZ-UHFFFAOYSA-N 1 1 323.440 4.175 20 30 DIEDMO C=CCOc1cccc(C[N@@H+](CCC)CCc2ccccn2)c1 ZINC000558419159 1043505416 /nfs/dbraw/zinc/50/54/16/1043505416.db2.gz PIWFRXYIEFOFFY-UHFFFAOYSA-N 1 1 310.441 4.101 20 30 DIEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707773 1043519424 /nfs/dbraw/zinc/51/94/24/1043519424.db2.gz QAQSPYWOWVWQGQ-FUHWJXTLSA-N 1 1 300.446 4.380 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000558724301 1043580079 /nfs/dbraw/zinc/58/00/79/1043580079.db2.gz DPJHNBAKFORXMD-XUVXKRRUSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000558724301 1043580088 /nfs/dbraw/zinc/58/00/88/1043580088.db2.gz DPJHNBAKFORXMD-XUVXKRRUSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000558724297 1043581161 /nfs/dbraw/zinc/58/11/61/1043581161.db2.gz DPJHNBAKFORXMD-AQNXPRMDSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000558724297 1043581164 /nfs/dbraw/zinc/58/11/64/1043581164.db2.gz DPJHNBAKFORXMD-AQNXPRMDSA-N 1 1 324.468 4.250 20 30 DIEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926478765 1043581814 /nfs/dbraw/zinc/58/18/14/1043581814.db2.gz CNVKXRUGECAHCH-DLBZAZTESA-N 1 1 309.413 4.385 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000926570484 1043600700 /nfs/dbraw/zinc/60/07/00/1043600700.db2.gz WGEIRKYSPYOGMI-KRWDZBQOSA-N 1 1 313.832 4.354 20 30 DIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353393994 1043604619 /nfs/dbraw/zinc/60/46/19/1043604619.db2.gz LALBTGZGABGGKF-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C)cc1OCCCC#N ZINC000353473624 1043608969 /nfs/dbraw/zinc/60/89/69/1043608969.db2.gz SSNDQWMEKANGKA-MRXNPFEDSA-N 1 1 316.445 4.142 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000353750881 1043640971 /nfs/dbraw/zinc/64/09/71/1043640971.db2.gz OLWMQRRXZBULQL-UHFFFAOYSA-N 1 1 324.346 4.064 20 30 DIEDMO N#CCCCOc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000353750881 1043640975 /nfs/dbraw/zinc/64/09/75/1043640975.db2.gz OLWMQRRXZBULQL-UHFFFAOYSA-N 1 1 324.346 4.064 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(C(F)F)nc1)[C@@H]1CCc2ccccc21 ZINC000876514128 1043691655 /nfs/dbraw/zinc/69/16/55/1043691655.db2.gz SZZIAEUODNCNHR-GOSISDBHSA-N 1 1 312.363 4.142 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C(F)F)nc1)[C@@H]1CCc2ccccc21 ZINC000876514128 1043691659 /nfs/dbraw/zinc/69/16/59/1043691659.db2.gz SZZIAEUODNCNHR-GOSISDBHSA-N 1 1 312.363 4.142 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876610305 1043700804 /nfs/dbraw/zinc/70/08/04/1043700804.db2.gz AJKFXGGKSIBNFK-UHFFFAOYSA-N 1 1 317.433 4.158 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000876610305 1043700814 /nfs/dbraw/zinc/70/08/14/1043700814.db2.gz AJKFXGGKSIBNFK-UHFFFAOYSA-N 1 1 317.433 4.158 20 30 DIEDMO C#CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000876628160 1043702016 /nfs/dbraw/zinc/70/20/16/1043702016.db2.gz HGDUNGGMTVXOOX-IBGZPJMESA-N 1 1 323.440 4.061 20 30 DIEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000876628160 1043702027 /nfs/dbraw/zinc/70/20/27/1043702027.db2.gz HGDUNGGMTVXOOX-IBGZPJMESA-N 1 1 323.440 4.061 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1cc2nc(Cl)ccc2s1)C1CC1 ZINC000876792483 1043711660 /nfs/dbraw/zinc/71/16/60/1043711660.db2.gz WHWPVNAOOQPWGI-SNVBAGLBSA-N 1 1 305.834 4.074 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1cc2nc(Cl)ccc2s1)C1CC1 ZINC000876792483 1043711673 /nfs/dbraw/zinc/71/16/73/1043711673.db2.gz WHWPVNAOOQPWGI-SNVBAGLBSA-N 1 1 305.834 4.074 20 30 DIEDMO Cc1cc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)c(C)s1 ZINC000876914676 1043723857 /nfs/dbraw/zinc/72/38/57/1043723857.db2.gz VGAFEARDPHFNHY-SNVBAGLBSA-N 1 1 305.834 4.136 20 30 DIEDMO CCC(C#N)(CC)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168032507 1043732177 /nfs/dbraw/zinc/73/21/77/1043732177.db2.gz HCKTYMYHQZKEJG-IZZQQSIFSA-N 1 1 313.489 4.100 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cc(COC)cs1)c1ccc(Cl)cc1 ZINC000825948920 1043753983 /nfs/dbraw/zinc/75/39/83/1043753983.db2.gz MUAKJVBBAXURAK-MRXNPFEDSA-N 1 1 305.830 4.012 20 30 DIEDMO C#CCOc1ccc([C@H](C)Nc2cccc3cc[nH+]cc32)cc1 ZINC000777690691 1043756627 /nfs/dbraw/zinc/75/66/27/1043756627.db2.gz VLSJFXQNRVPHIJ-HNNXBMFYSA-N 1 1 302.377 4.420 20 30 DIEDMO CSc1ccccc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877498550 1043767497 /nfs/dbraw/zinc/76/74/97/1043767497.db2.gz RFNLUTYDDJTJCF-LLVKDONJSA-N 1 1 317.845 4.179 20 30 DIEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000877523373 1043770941 /nfs/dbraw/zinc/77/09/41/1043770941.db2.gz JBXXDCJPKZJBLO-KRWDZBQOSA-N 1 1 315.461 4.448 20 30 DIEDMO C[N@@H+](Cc1ccc(NC(=O)OC(C)(C)C)cc1)CC(C)(C)C#N 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DIEDMO N#CC1(CCCC[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCC1 ZINC000929255432 1043806070 /nfs/dbraw/zinc/80/60/70/1043806070.db2.gz URCYDFITRSFQII-SFHVURJKSA-N 1 1 316.420 4.063 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCC1 ZINC000929255432 1043806092 /nfs/dbraw/zinc/80/60/92/1043806092.db2.gz URCYDFITRSFQII-SFHVURJKSA-N 1 1 316.420 4.063 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1OCCc2ccccc21 ZINC000929468299 1043820100 /nfs/dbraw/zinc/82/01/00/1043820100.db2.gz JLMDJAYLFYGDFU-LJQANCHMSA-N 1 1 312.457 4.096 20 30 DIEDMO CCC[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168036909 1043820455 /nfs/dbraw/zinc/82/04/55/1043820455.db2.gz WCSVANUSWMYTCX-HNJRGHQBSA-N 1 1 313.489 4.100 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)c1ccccc1)c1ccccc1 ZINC000877917873 1043822928 /nfs/dbraw/zinc/82/29/28/1043822928.db2.gz IBUXJSRDESMLLF-UWJYYQICSA-N 1 1 320.436 4.120 20 30 DIEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CCCCC1 ZINC000877963647 1043834525 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C=CCC[C@@H]([NH2+]Cc1nc(C(C)C)ns1)c1ccccc1 ZINC000930230337 1043902221 /nfs/dbraw/zinc/90/22/21/1043902221.db2.gz WMLGQBRQZLJWEY-OAHLLOKOSA-N 1 1 301.459 4.459 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000522469890 1043912978 /nfs/dbraw/zinc/91/29/78/1043912978.db2.gz SQRVCWIPPXZYQC-WMZOPIPTSA-N 1 1 315.420 4.189 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000930610512 1043948568 /nfs/dbraw/zinc/94/85/68/1043948568.db2.gz RSBLTNSMCPNFRR-QGZVFWFLSA-N 1 1 320.864 4.169 20 30 DIEDMO N#CC1(CCCC[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000930636871 1043950198 /nfs/dbraw/zinc/95/01/98/1043950198.db2.gz BWROCDIAAXUEST-MSOLQXFVSA-N 1 1 316.489 4.132 20 30 DIEDMO Cc1cnc([C@@H]([NH2+]CC(=O)NC2CCCCCC2)C2CC2)s1 ZINC000329467536 1043982917 /nfs/dbraw/zinc/98/29/17/1043982917.db2.gz WGBMRHRYLGVCLY-INIZCTEOSA-N 1 1 321.490 4.172 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CCC1 ZINC000931024697 1043983037 /nfs/dbraw/zinc/98/30/37/1043983037.db2.gz IRQOXYAFWPVEBN-ROUUACIJSA-N 1 1 304.478 4.132 20 30 DIEDMO Cc1cnc([C@H]([NH2+]CC(=O)NC2CCCCCC2)C2CC2)s1 ZINC000329467537 1043983633 /nfs/dbraw/zinc/98/36/33/1043983633.db2.gz WGBMRHRYLGVCLY-MRXNPFEDSA-N 1 1 321.490 4.172 20 30 DIEDMO CCC[N@H+](Cc1cc(Br)ccc1C#N)CC(C)C ZINC001141907899 1043986710 /nfs/dbraw/zinc/98/67/10/1043986710.db2.gz SJWVEGNLFUMNEV-UHFFFAOYSA-N 1 1 309.251 4.189 20 30 DIEDMO CC(C)(C)OCCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000474969029 1044002957 /nfs/dbraw/zinc/00/29/57/1044002957.db2.gz PXTGPODSSGAZIT-UHFFFAOYSA-N 1 1 312.457 4.243 20 30 DIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2nccs2)cc1 ZINC000128233135 1044016381 /nfs/dbraw/zinc/01/63/81/1044016381.db2.gz IAOGTWPZYMUAQZ-GFCCVEGCSA-N 1 1 308.834 4.125 20 30 DIEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1CCC(C)(C)C#N ZINC000880175740 1044018017 /nfs/dbraw/zinc/01/80/17/1044018017.db2.gz DZAISBYKYWBEQE-MRXNPFEDSA-N 1 1 318.486 4.115 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931372780 1044019101 /nfs/dbraw/zinc/01/91/01/1044019101.db2.gz PUDWQZAQAGNVKA-OFLPRAFFSA-N 1 1 322.456 4.072 20 30 DIEDMO CCC1([NH+]2CCCCC2)CCN(CCCC(C)(C)C#N)CC1 ZINC000880257038 1044024498 /nfs/dbraw/zinc/02/44/98/1044024498.db2.gz RGSZZEZKKKDQHY-UHFFFAOYSA-N 1 1 305.510 4.047 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CCC1 ZINC000931467261 1044030173 /nfs/dbraw/zinc/03/01/73/1044030173.db2.gz ICKLMGIZNMSLRU-OALUTQOASA-N 1 1 312.457 4.049 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CCC1 ZINC000931467265 1044030803 /nfs/dbraw/zinc/03/08/03/1044030803.db2.gz ICKLMGIZNMSLRU-RTBURBONSA-N 1 1 312.457 4.049 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC000880388166 1044037098 /nfs/dbraw/zinc/03/70/98/1044037098.db2.gz IVLQPENDXGSXPR-QGZVFWFLSA-N 1 1 316.470 4.477 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000931558449 1044046118 /nfs/dbraw/zinc/04/61/18/1044046118.db2.gz PFJYPEHQICWIPB-GOSISDBHSA-N 1 1 300.352 4.115 20 30 DIEDMO Cc1csc([C@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000931614685 1044053036 /nfs/dbraw/zinc/05/30/36/1044053036.db2.gz BDOBZNQJQODEGY-HNNXBMFYSA-N 1 1 303.475 4.105 20 30 DIEDMO CCC[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000047739866 1044074627 /nfs/dbraw/zinc/07/46/27/1044074627.db2.gz BCDRQALAGQKCRH-UHFFFAOYSA-N 1 1 321.380 4.218 20 30 DIEDMO CCC[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc(C#N)cc1 ZINC000047739866 1044074638 /nfs/dbraw/zinc/07/46/38/1044074638.db2.gz BCDRQALAGQKCRH-UHFFFAOYSA-N 1 1 321.380 4.218 20 30 DIEDMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000047752295 1044075523 /nfs/dbraw/zinc/07/55/23/1044075523.db2.gz BEKQBYOQINIGKJ-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)nc1 ZINC000562370084 1044105778 /nfs/dbraw/zinc/10/57/78/1044105778.db2.gz WOABLMRNPMQBIY-OAQYLSRUSA-N 1 1 313.404 4.444 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203943 1044109219 /nfs/dbraw/zinc/10/92/19/1044109219.db2.gz NFGCAFFWROYJOY-GOEBONIOSA-N 1 1 311.454 4.030 20 30 DIEDMO C=C(Cl)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000129797933 1044178854 /nfs/dbraw/zinc/17/88/54/1044178854.db2.gz RGVPKLLYLUMUKC-NSHDSACASA-N 1 1 318.667 4.328 20 30 DIEDMO CC(C)c1noc([C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614431 1044203153 /nfs/dbraw/zinc/20/31/53/1044203153.db2.gz PIFDDFGMYWSOKX-AWEZNQCLSA-N 1 1 324.428 4.005 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000562913144 1044205055 /nfs/dbraw/zinc/20/50/55/1044205055.db2.gz BLWCZRMPKMJYJA-QGZVFWFLSA-N 1 1 311.454 4.002 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2CCc2ccccc2)n1 ZINC000562913144 1044205064 /nfs/dbraw/zinc/20/50/64/1044205064.db2.gz BLWCZRMPKMJYJA-QGZVFWFLSA-N 1 1 311.454 4.002 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1 ZINC000883130840 1044222972 /nfs/dbraw/zinc/22/29/72/1044222972.db2.gz VDAGZSCJDNYPPF-KRWDZBQOSA-N 1 1 316.351 4.195 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000934649105 1044265930 /nfs/dbraw/zinc/26/59/30/1044265930.db2.gz KEGGOQSBCOCZJY-UHFFFAOYSA-N 1 1 305.809 4.178 20 30 DIEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@@H]1F)c1ccc(C#N)c(F)c1 ZINC000883377066 1044291033 /nfs/dbraw/zinc/29/10/33/1044291033.db2.gz YUDWTUWWFCYHJQ-KHDYIWLOSA-N 1 1 312.363 4.374 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000883382217 1044294926 /nfs/dbraw/zinc/29/49/26/1044294926.db2.gz BQAUVOZHBRXJAL-UAOJZALGSA-N 1 1 324.399 4.093 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001253238338 1044318874 /nfs/dbraw/zinc/31/88/74/1044318874.db2.gz CZRHGFAWRCYZNV-LSDHHAIUSA-N 1 1 307.400 4.148 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059775 1044328721 /nfs/dbraw/zinc/32/87/21/1044328721.db2.gz HCNHTBRHJSBAGJ-OPVJXMOQSA-N 1 1 300.490 4.326 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)Sc3sccc32)CC1 ZINC000361230919 1044378947 /nfs/dbraw/zinc/37/89/47/1044378947.db2.gz RBUFTZNECFTZTI-CZUORRHYSA-N 1 1 322.543 4.304 20 30 DIEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(C)(C)C#N)no1 ZINC000361288489 1044385215 /nfs/dbraw/zinc/38/52/15/1044385215.db2.gz PNEIFCXGWDFHQY-SFHVURJKSA-N 1 1 309.413 4.121 20 30 DIEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)no1 ZINC000361288489 1044385223 /nfs/dbraw/zinc/38/52/23/1044385223.db2.gz PNEIFCXGWDFHQY-SFHVURJKSA-N 1 1 309.413 4.121 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552270 1044417454 /nfs/dbraw/zinc/41/74/54/1044417454.db2.gz KJPFAMALMIQZIQ-KBXCAEBGSA-N 1 1 311.429 4.025 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cn1)CC1CCC1 ZINC000565158644 1044419090 /nfs/dbraw/zinc/41/90/90/1044419090.db2.gz UKWVEECLSQRBEN-INIZCTEOSA-N 1 1 305.425 4.317 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000565618649 1044444911 /nfs/dbraw/zinc/44/49/11/1044444911.db2.gz CQCLEAFFDFCNJK-LJQANCHMSA-N 1 1 322.477 4.367 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)c2)C(C)(C)C)cc1 ZINC000565618740 1044446382 /nfs/dbraw/zinc/44/63/82/1044446382.db2.gz FGOXCJUQKYVPDF-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO CCC[N@H+]1Cc2cccc(N[C@H](C)c3ccc(C#N)cc3)c2C1 ZINC000118443318 1044483827 /nfs/dbraw/zinc/48/38/27/1044483827.db2.gz YJLGDIGVFRCXFF-OAHLLOKOSA-N 1 1 305.425 4.457 20 30 DIEDMO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OCC(C)C ZINC000566359895 1044485195 /nfs/dbraw/zinc/48/51/95/1044485195.db2.gz DCDMPWGHJBCVOM-UHFFFAOYSA-N 1 1 318.461 4.102 20 30 DIEDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OCC(C)C ZINC000566359895 1044485209 /nfs/dbraw/zinc/48/52/09/1044485209.db2.gz DCDMPWGHJBCVOM-UHFFFAOYSA-N 1 1 318.461 4.102 20 30 DIEDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000566396587 1044489367 /nfs/dbraw/zinc/48/93/67/1044489367.db2.gz LAAXZXUVDKIKFG-OXQOHEQNSA-N 1 1 320.436 4.225 20 30 DIEDMO CC[N@@H+](CCc1ncc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000566558714 1044497782 /nfs/dbraw/zinc/49/77/82/1044497782.db2.gz KDNGZWLEDIAYLD-QGZVFWFLSA-N 1 1 307.441 4.196 20 30 DIEDMO C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@H](c2ccco2)C1 ZINC000362450239 1044511764 /nfs/dbraw/zinc/51/17/64/1044511764.db2.gz JCNFTGGZABJVOM-KXBFYZLASA-N 1 1 319.408 4.377 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](c2ccco2)C1 ZINC000362450239 1044511776 /nfs/dbraw/zinc/51/17/76/1044511776.db2.gz JCNFTGGZABJVOM-KXBFYZLASA-N 1 1 319.408 4.377 20 30 DIEDMO C=C(Br)C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000134402371 1044528052 /nfs/dbraw/zinc/52/80/52/1044528052.db2.gz CDMWPBMGDCARSB-UHFFFAOYSA-N 1 1 310.166 4.084 20 30 DIEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000567002220 1044535044 /nfs/dbraw/zinc/53/50/44/1044535044.db2.gz FRIJSRDZPIETAL-HNNXBMFYSA-N 1 1 318.420 4.175 20 30 DIEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000567031895 1044537334 /nfs/dbraw/zinc/53/73/34/1044537334.db2.gz BVUMJMZYSJHWQO-MRXNPFEDSA-N 1 1 317.477 4.047 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567120985 1044544769 /nfs/dbraw/zinc/54/47/69/1044544769.db2.gz VNVXJWJVTRJBSH-UXHICEINSA-N 1 1 305.425 4.111 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C1CC1 ZINC000567408406 1044565672 /nfs/dbraw/zinc/56/56/72/1044565672.db2.gz MEPGFGOPZOTIMG-OAHLLOKOSA-N 1 1 308.347 4.197 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C1CC1 ZINC000567408406 1044565689 /nfs/dbraw/zinc/56/56/89/1044565689.db2.gz MEPGFGOPZOTIMG-OAHLLOKOSA-N 1 1 308.347 4.197 20 30 DIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960350 1044568191 /nfs/dbraw/zinc/56/81/91/1044568191.db2.gz MLKYOZGHZHVVBJ-PBHICJAKSA-N 1 1 324.428 4.009 20 30 DIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000444641040 1044588582 /nfs/dbraw/zinc/58/85/82/1044588582.db2.gz ONRSITZOLATMFZ-ZACQAIPSSA-N 1 1 306.494 4.232 20 30 DIEDMO C[N@H+](CCCCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 ZINC000444687794 1044600638 /nfs/dbraw/zinc/60/06/38/1044600638.db2.gz WNYSZCYOIFSLCW-UHFFFAOYSA-N 1 1 307.526 4.293 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)CN1CCCCCC1 ZINC000444687794 1044600639 /nfs/dbraw/zinc/60/06/39/1044600639.db2.gz WNYSZCYOIFSLCW-UHFFFAOYSA-N 1 1 307.526 4.293 20 30 DIEDMO CC1(C)CCC[N@H+](CC2CCC(C(F)(F)F)CC2)[C@H]1C#N ZINC000444735531 1044612918 /nfs/dbraw/zinc/61/29/18/1044612918.db2.gz USCGJUYSORFNSR-RUXDESIVSA-N 1 1 302.384 4.369 20 30 DIEDMO CC1(C)CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)[C@H]1C#N ZINC000444735531 1044612927 /nfs/dbraw/zinc/61/29/27/1044612927.db2.gz USCGJUYSORFNSR-RUXDESIVSA-N 1 1 302.384 4.369 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nc(-c3ccsc3)no2)CCCC1(C)C ZINC000444784003 1044623068 /nfs/dbraw/zinc/62/30/68/1044623068.db2.gz MJCYXKZSECHDJG-CQSZACIVSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nnc(-c3ccccc3)o2)CCCC1(C)C ZINC000444788873 1044630151 /nfs/dbraw/zinc/63/01/51/1044630151.db2.gz YJIRGXTVUJLDEX-INIZCTEOSA-N 1 1 311.429 4.303 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCCC/C=C\CC)C2)C1=O ZINC001275862773 1044652524 /nfs/dbraw/zinc/65/25/24/1044652524.db2.gz OWGZUODCKIKBTH-KKHYBRAUSA-N 1 1 318.505 4.014 20 30 DIEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000523606086 1044669058 /nfs/dbraw/zinc/66/90/58/1044669058.db2.gz IEXFGVNZROAJAU-QGZVFWFLSA-N 1 1 303.446 4.067 20 30 DIEDMO CSc1ccc(C[NH2+][C@@H](C)c2ccncc2Cl)cc1C#N ZINC000886690091 1044681130 /nfs/dbraw/zinc/68/11/30/1044681130.db2.gz NWKFINIYSFZYIQ-NSHDSACASA-N 1 1 317.845 4.179 20 30 DIEDMO CSc1ccc(C[NH2+][C@@H](C)c2nc(C)sc2C)cc1C#N ZINC000886687590 1044682041 /nfs/dbraw/zinc/68/20/41/1044682041.db2.gz AEIQUDINUGQSDM-JTQLQIEISA-N 1 1 317.483 4.204 20 30 DIEDMO N#Cc1ccc(F)c(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000523759693 1044683300 /nfs/dbraw/zinc/68/33/00/1044683300.db2.gz HBPDDAUQHHXWMW-UHFFFAOYSA-N 1 1 312.363 4.249 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000155230367 1044686450 /nfs/dbraw/zinc/68/64/50/1044686450.db2.gz QUFKKAWXVBOQKG-OAHLLOKOSA-N 1 1 324.399 4.281 20 30 DIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CCC2 ZINC000365442349 1044689768 /nfs/dbraw/zinc/68/97/68/1044689768.db2.gz JKSIAGSUAUBHBS-HNNXBMFYSA-N 1 1 305.491 4.481 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000365445013 1044690225 /nfs/dbraw/zinc/69/02/25/1044690225.db2.gz UUKVDCXXEIVDCI-GOSISDBHSA-N 1 1 300.446 4.088 20 30 DIEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717314 1044690344 /nfs/dbraw/zinc/69/03/44/1044690344.db2.gz ZMXUGMOQZABCNH-KGLIPLIRSA-N 1 1 324.428 4.007 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000365445022 1044690888 /nfs/dbraw/zinc/69/08/88/1044690888.db2.gz UUKVDCXXEIVDCI-SFHVURJKSA-N 1 1 300.446 4.088 20 30 DIEDMO C#CC[N@@H+](Cc1nc(-c2ccsc2)oc1C)C1CCCC1 ZINC000155802001 1044729479 /nfs/dbraw/zinc/72/94/79/1044729479.db2.gz IDJHCRSABXCZLH-UHFFFAOYSA-N 1 1 300.427 4.089 20 30 DIEDMO C#CC[N@H+](Cc1nc(-c2ccsc2)oc1C)C1CCCC1 ZINC000155802001 1044729495 /nfs/dbraw/zinc/72/94/95/1044729495.db2.gz IDJHCRSABXCZLH-UHFFFAOYSA-N 1 1 300.427 4.089 20 30 DIEDMO C=C(CC)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC001168084093 1044732308 /nfs/dbraw/zinc/73/23/08/1044732308.db2.gz FVSDKKOSCDDFJM-QQXKLLMISA-N 1 1 320.521 4.137 20 30 DIEDMO C=C(CC)C[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC001168084094 1044733584 /nfs/dbraw/zinc/73/35/84/1044733584.db2.gz FVSDKKOSCDDFJM-ZSXDVEMLSA-N 1 1 320.521 4.137 20 30 DIEDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)no1 ZINC000367783004 1044753375 /nfs/dbraw/zinc/75/33/75/1044753375.db2.gz JOAIALSCHPFATL-HNNXBMFYSA-N 1 1 317.392 4.373 20 30 DIEDMO Cc1c[nH]nc1C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000368082768 1044766196 /nfs/dbraw/zinc/76/61/96/1044766196.db2.gz ZNPMGVPCLKUZPN-HNNXBMFYSA-N 1 1 316.408 4.108 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251908 1044778155 /nfs/dbraw/zinc/77/81/55/1044778155.db2.gz RUJWZDHSSCXHQP-HKUYNNGSSA-N 1 1 320.436 4.124 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123809039 1044787721 /nfs/dbraw/zinc/78/77/21/1044787721.db2.gz XLLKYOSHUWKFMW-OALUTQOASA-N 1 1 300.446 4.049 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC1CC1 ZINC000571721758 1044823296 /nfs/dbraw/zinc/82/32/96/1044823296.db2.gz JGFZMDJAQDDANQ-UHFFFAOYSA-N 1 1 318.420 4.288 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC1CC1 ZINC000571721758 1044823316 /nfs/dbraw/zinc/82/33/16/1044823316.db2.gz JGFZMDJAQDDANQ-UHFFFAOYSA-N 1 1 318.420 4.288 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3nc4ccc(F)cc4s3)CC2)c1 ZINC000572547619 1044862936 /nfs/dbraw/zinc/86/29/36/1044862936.db2.gz XQUZYLZVODZDQO-UHFFFAOYSA-N 1 1 323.396 4.086 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000572683346 1044870073 /nfs/dbraw/zinc/87/00/73/1044870073.db2.gz RGIDETGEBCOALO-INIZCTEOSA-N 1 1 300.427 4.211 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000373117627 1044942594 /nfs/dbraw/zinc/94/25/94/1044942594.db2.gz IKYHZIVBBHGJHP-QGZVFWFLSA-N 1 1 310.445 4.003 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000264867193 1044948754 /nfs/dbraw/zinc/94/87/54/1044948754.db2.gz NPIZANVZTBFYQF-KRWDZBQOSA-N 1 1 317.436 4.463 20 30 DIEDMO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1cccc(C#N)c1 ZINC000373222777 1044952518 /nfs/dbraw/zinc/95/25/18/1044952518.db2.gz DHBWRSUHHPQBNG-IIBYNOLFSA-N 1 1 313.404 4.393 20 30 DIEDMO C[C@@H]1[C@@H](C)C[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000574468500 1044956112 /nfs/dbraw/zinc/95/61/12/1044956112.db2.gz KODNHDKQWPRFDD-ZWKOTPCHSA-N 1 1 304.437 4.227 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000574722798 1044966509 /nfs/dbraw/zinc/96/65/09/1044966509.db2.gz RVUQCHFUGIUOLM-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000574722798 1044966524 /nfs/dbraw/zinc/96/65/24/1044966524.db2.gz RVUQCHFUGIUOLM-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO CC(C)[N@@H+](C)CC1CCN(c2cccc(C(F)F)c2C#N)CC1 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313.228 4.139 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399415 1045006210 /nfs/dbraw/zinc/00/62/10/1045006210.db2.gz LGWXNCPJRQLBBE-MNOVXSKESA-N 1 1 317.380 4.034 20 30 DIEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCCCC1 ZINC000411659709 1045023271 /nfs/dbraw/zinc/02/32/71/1045023271.db2.gz HMRWPAWZNWBPPT-QRVBRYPASA-N 1 1 318.505 4.256 20 30 DIEDMO N#CC1(CC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)CCCCC1 ZINC000411741541 1045027360 /nfs/dbraw/zinc/02/73/60/1045027360.db2.gz ACMYMAUCWMXVHS-UHFFFAOYSA-N 1 1 310.441 4.104 20 30 DIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000374164485 1045032754 /nfs/dbraw/zinc/03/27/54/1045032754.db2.gz RDMPDCONDVMOCK-IBGZPJMESA-N 1 1 312.457 4.233 20 30 DIEDMO CCCCCCC[C@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000152347387 1045038039 /nfs/dbraw/zinc/03/80/39/1045038039.db2.gz MSQXFVRISONSCC-KRWDZBQOSA-N 1 1 300.450 4.007 20 30 DIEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017438 1045046442 /nfs/dbraw/zinc/04/64/42/1045046442.db2.gz ZFIHXPVRTRRPOV-QZTJIDSGSA-N 1 1 302.487 4.291 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CCCc3occc3C2)cc1 ZINC000576381232 1045055492 /nfs/dbraw/zinc/05/54/92/1045055492.db2.gz YQFOWQMCICQSAI-UHFFFAOYSA-N 1 1 319.326 4.098 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCc3occc3C2)cc1 ZINC000576381232 1045055503 /nfs/dbraw/zinc/05/55/03/1045055503.db2.gz YQFOWQMCICQSAI-UHFFFAOYSA-N 1 1 319.326 4.098 20 30 DIEDMO N#CCCCC[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374625809 1045077530 /nfs/dbraw/zinc/07/75/30/1045077530.db2.gz KZJIUGRUTFVAHA-HNNXBMFYSA-N 1 1 314.326 4.270 20 30 DIEDMO C[C@H]([NH2+]Cc1ccon1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374675462 1045081680 /nfs/dbraw/zinc/08/16/80/1045081680.db2.gz DSGSHBMAIOPOAL-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO CCCc1nc(C)c(C[N@H+](CCC)Cc2ccc(C#N)cc2)o1 ZINC000428470780 1045102163 /nfs/dbraw/zinc/10/21/63/1045102163.db2.gz RUEYGFQARMZDSG-UHFFFAOYSA-N 1 1 311.429 4.219 20 30 DIEDMO CC[N@H+](CCOc1ccc(Oc2ccccc2)cc1)C[C@H](C)C#N ZINC000525633785 1045102230 /nfs/dbraw/zinc/10/22/30/1045102230.db2.gz XCBSJOYQAPPOHL-QGZVFWFLSA-N 1 1 324.424 4.339 20 30 DIEDMO CC[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C[C@H](C)C#N ZINC000525633785 1045102235 /nfs/dbraw/zinc/10/22/35/1045102235.db2.gz XCBSJOYQAPPOHL-QGZVFWFLSA-N 1 1 324.424 4.339 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)c2cccnc12)C(C)C ZINC000778996527 1045111514 /nfs/dbraw/zinc/11/15/14/1045111514.db2.gz OUFAVNSQIONFGZ-UHFFFAOYSA-N 1 1 319.246 4.394 20 30 DIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCC(C)(C)C#N)nc2c1 ZINC000577272491 1045112924 /nfs/dbraw/zinc/11/29/24/1045112924.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 1 1 310.445 4.338 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCC(C)(C)C#N)[nH]c2c1 ZINC000577272491 1045112932 /nfs/dbraw/zinc/11/29/32/1045112932.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 1 1 310.445 4.338 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@H+]3CCCC(C)(C)C#N)[nH]c2c1 ZINC000577272491 1045112937 /nfs/dbraw/zinc/11/29/37/1045112937.db2.gz HQSRGVBMMDLULS-QGZVFWFLSA-N 1 1 310.445 4.338 20 30 DIEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447391508 1045127897 /nfs/dbraw/zinc/12/78/97/1045127897.db2.gz FXNZTMXFWIPBAA-HXUWFJFHSA-N 1 1 314.473 4.269 20 30 DIEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn([C@@H](C)C#N)c2)cc1 ZINC000600773869 1045137500 /nfs/dbraw/zinc/13/75/00/1045137500.db2.gz DZRBMCARZVMKAV-KXBFYZLASA-N 1 1 308.429 4.009 20 30 DIEDMO Cn1c2ccc(NCc3cccc(F)c3C#N)cc2[nH+]c1C1CC1 ZINC000600852310 1045149756 /nfs/dbraw/zinc/14/97/56/1045149756.db2.gz OZFBZGGTGDXKHU-UHFFFAOYSA-N 1 1 320.371 4.074 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258044277 1045157994 /nfs/dbraw/zinc/15/79/94/1045157994.db2.gz KUNSMSAMGGNMNE-SOUVJXGZSA-N 1 1 309.416 4.371 20 30 DIEDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C ZINC000447731172 1045170784 /nfs/dbraw/zinc/17/07/84/1045170784.db2.gz UBHUTRQCABZZJW-WOJBJXKFSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C 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312.800 4.304 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000578472267 1045246474 /nfs/dbraw/zinc/24/64/74/1045246474.db2.gz MCGSCDXGISLUPT-KRWDZBQOSA-N 1 1 315.417 4.175 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000579145529 1045296872 /nfs/dbraw/zinc/29/68/72/1045296872.db2.gz GYDJGPZTOQYQLU-SFHVURJKSA-N 1 1 312.388 4.289 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000779147751 1045320720 /nfs/dbraw/zinc/32/07/20/1045320720.db2.gz AAEHABOAFZEGLH-KRWDZBQOSA-N 1 1 314.816 4.017 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000779147751 1045320726 /nfs/dbraw/zinc/32/07/26/1045320726.db2.gz AAEHABOAFZEGLH-KRWDZBQOSA-N 1 1 314.816 4.017 20 30 DIEDMO CC[N@@H+](Cc1ccnn1C1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000449014101 1045331427 /nfs/dbraw/zinc/33/14/27/1045331427.db2.gz OICARHQWPNRZFG-INIZCTEOSA-N 1 1 322.456 4.453 20 30 DIEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccsc2)cn2ccccc12 ZINC000076199826 1045345092 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C[C@H](Nc1cccc(CC#N)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449695540 1045426963 /nfs/dbraw/zinc/42/69/63/1045426963.db2.gz IQSJMKBZZZVIPW-FXAWDEMLSA-N 1 1 319.452 4.075 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000450455155 1045508258 /nfs/dbraw/zinc/50/82/58/1045508258.db2.gz UCZBIDCOKASTTD-USXIJHARSA-N 1 1 304.384 4.194 20 30 DIEDMO C[C@H](C[N@@H+](C)CCCCC#N)Oc1ccc(Cl)c(Cl)c1 ZINC000190361838 1045533203 /nfs/dbraw/zinc/53/32/03/1045533203.db2.gz IAPAXJMKCQXYTP-GFCCVEGCSA-N 1 1 315.244 4.386 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000450643082 1045533011 /nfs/dbraw/zinc/53/30/11/1045533011.db2.gz DGGDNZLHKZSGOV-OAHLLOKOSA-N 1 1 302.368 4.083 20 30 DIEDMO C=CCOc1ccc(Cn2c[nH+]c3c2CCCC3)cc1Cl ZINC000628371292 1045569933 /nfs/dbraw/zinc/56/99/33/1045569933.db2.gz TVJGKMIQDGVJPG-UHFFFAOYSA-N 1 1 302.805 4.028 20 30 DIEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC001168126194 1045598510 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CC(C)(C#N)CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451570402 1045696511 /nfs/dbraw/zinc/69/65/11/1045696511.db2.gz PZFZTVMVKYXDPW-CQSZACIVSA-N 1 1 321.262 4.178 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC000801594912 1045748625 /nfs/dbraw/zinc/74/86/25/1045748625.db2.gz DBENTTJXEWHHGN-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000801595802 1045748996 /nfs/dbraw/zinc/74/89/96/1045748996.db2.gz UPTYZTANUUZJBN-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000801597376 1045750068 /nfs/dbraw/zinc/75/00/68/1045750068.db2.gz GFOKHJTURJTEFJ-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000191862773 1045759614 /nfs/dbraw/zinc/75/96/14/1045759614.db2.gz MCXLWDWIGQGQJE-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590705 1045769558 /nfs/dbraw/zinc/76/95/58/1045769558.db2.gz OTJHALPSTFLWDG-ZDUSSCGKSA-N 1 1 320.314 4.160 20 30 DIEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000801914614 1045834666 /nfs/dbraw/zinc/83/46/66/1045834666.db2.gz ZACUTSULTXSLDY-OLZOCXBDSA-N 1 1 314.351 4.017 20 30 DIEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)c(Cl)c1 ZINC000801912882 1045838487 /nfs/dbraw/zinc/83/84/87/1045838487.db2.gz HMKFRLNTOIQTMN-GFCCVEGCSA-N 1 1 315.244 4.132 20 30 DIEDMO CC[N@@H+](CCO[C@H](C)C#N)C(c1ccccc1)c1ccccc1 ZINC000801931972 1045851385 /nfs/dbraw/zinc/85/13/85/1045851385.db2.gz FGAIKUAYPBBMHY-QGZVFWFLSA-N 1 1 308.425 4.027 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc(Br)c(C)c1 ZINC001137614985 1045908646 /nfs/dbraw/zinc/90/86/46/1045908646.db2.gz BQPYHNGIECKTDQ-UHFFFAOYSA-N 1 1 309.251 4.273 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc(Br)c(C)c1 ZINC001137614985 1045908650 /nfs/dbraw/zinc/90/86/50/1045908650.db2.gz BQPYHNGIECKTDQ-UHFFFAOYSA-N 1 1 309.251 4.273 20 30 DIEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1N1CCCCC1 ZINC000828488806 1045911454 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Cc1cccc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)c1F ZINC001137678313 1045929385 /nfs/dbraw/zinc/92/93/85/1045929385.db2.gz HVTREFOZGSNNOL-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(SCC)nc1 ZINC001138655037 1045931446 /nfs/dbraw/zinc/93/14/46/1045931446.db2.gz QLOKCDRPOAJRCI-UHFFFAOYSA-N 1 1 313.470 4.167 20 30 DIEDMO COc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)c(C#N)c1 ZINC001137703168 1045939784 /nfs/dbraw/zinc/93/97/84/1045939784.db2.gz FPGGNPQQXKCZBL-UHFFFAOYSA-N 1 1 324.399 4.086 20 30 DIEDMO C#Cc1cccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)c1 ZINC001202811555 1045982510 /nfs/dbraw/zinc/98/25/10/1045982510.db2.gz HJVOXBVPZRURCV-UHFFFAOYSA-N 1 1 304.418 4.081 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)c2ccc(C#N)cc2)cc1)C1CC1 ZINC001137898228 1046005541 /nfs/dbraw/zinc/00/55/41/1046005541.db2.gz KVAIRYOINJDAAZ-UHFFFAOYSA-N 1 1 305.425 4.310 20 30 DIEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788942 1046006479 /nfs/dbraw/zinc/00/64/79/1046006479.db2.gz KESPAKZQKKRCNH-IRXDYDNUSA-N 1 1 323.440 4.150 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000755671238 1046006866 /nfs/dbraw/zinc/00/68/66/1046006866.db2.gz WHEFUATVYXZPNP-UHFFFAOYSA-N 1 1 315.244 4.244 20 30 DIEDMO CC(C)C[N@H+](CCC#N)CCOc1cc(Cl)ccc1Cl ZINC000755671238 1046006880 /nfs/dbraw/zinc/00/68/80/1046006880.db2.gz WHEFUATVYXZPNP-UHFFFAOYSA-N 1 1 315.244 4.244 20 30 DIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000829768249 1046006998 /nfs/dbraw/zinc/00/69/98/1046006998.db2.gz AMAQXNJGFIKYCA-CYBMUJFWSA-N 1 1 302.468 4.107 20 30 DIEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000829789579 1046007161 /nfs/dbraw/zinc/00/71/61/1046007161.db2.gz XYSMAORTHBOJFC-LBPRGKRZSA-N 1 1 322.330 4.082 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@H](C#N)CC3)cc2c1 ZINC001137923038 1046017787 /nfs/dbraw/zinc/01/77/87/1046017787.db2.gz XGTOCQCORQKXHV-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@H+]3CCC[C@H](C#N)CC3)cc2c1 ZINC001137923038 1046017800 /nfs/dbraw/zinc/01/78/00/1046017800.db2.gz XGTOCQCORQKXHV-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO CC(=[NH+]O[C@@H]1CCCCO1)c1ccc(N2CCCCC2)c(F)c1 ZINC000755814143 1046018341 /nfs/dbraw/zinc/01/83/41/1046018341.db2.gz KWSQDKOYYCKAAM-GOSISDBHSA-N 1 1 320.408 4.083 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000802657388 1046028315 /nfs/dbraw/zinc/02/83/15/1046028315.db2.gz ZFQNZXNTIPFUGG-OXQOHEQNSA-N 1 1 324.399 4.048 20 30 DIEDMO C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001256188904 1046050789 /nfs/dbraw/zinc/05/07/89/1046050789.db2.gz XCBJUZUWBFFIQS-KGLIPLIRSA-N 1 1 321.262 4.006 20 30 DIEDMO Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902765653 1046065104 /nfs/dbraw/zinc/06/51/04/1046065104.db2.gz RULDOEHYYAGINQ-UONOGXRCSA-N 1 1 305.381 4.420 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)c1cc(C#N)ccn1 ZINC000902808300 1046074440 /nfs/dbraw/zinc/07/44/40/1046074440.db2.gz IAZGGJHSLGYDDD-QWRGUYRKSA-N 1 1 303.768 4.158 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902812291 1046076806 /nfs/dbraw/zinc/07/68/06/1046076806.db2.gz RFZAWMGIJPHEPH-MEDUHNTESA-N 1 1 301.340 4.033 20 30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@@H](CC)c2cccc(C#N)c2)o1 ZINC000902819074 1046077546 /nfs/dbraw/zinc/07/75/46/1046077546.db2.gz QHRPKAVSYXTIMC-ROUUACIJSA-N 1 1 312.413 4.142 20 30 DIEDMO CC[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833410 1046080091 /nfs/dbraw/zinc/08/00/91/1046080091.db2.gz ZCJNQOKLNFVVAY-HXUWFJFHSA-N 1 1 311.473 4.006 20 30 DIEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902836781 1046082787 /nfs/dbraw/zinc/08/27/87/1046082787.db2.gz MTHVNGAGEJHUDG-HOTGVXAUSA-N 1 1 323.440 4.290 20 30 DIEDMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cc(C#N)ccn1 ZINC000902899646 1046103949 /nfs/dbraw/zinc/10/39/49/1046103949.db2.gz RXQKIQPAKHNFQZ-OAHLLOKOSA-N 1 1 306.413 4.117 20 30 DIEDMO CC[N@H+](c1ccc(N[C@H](C)c2cc(C#N)ccn2)cc1)C(C)C ZINC000902899124 1046104506 /nfs/dbraw/zinc/10/45/06/1046104506.db2.gz DQBADYMEALNGHK-OAHLLOKOSA-N 1 1 308.429 4.361 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccnc2Cl)cc1 ZINC000083536617 1046138315 /nfs/dbraw/zinc/13/83/15/1046138315.db2.gz JPDMUAAUCUJRKY-RMKNXTFCSA-N 1 1 323.783 4.125 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccccc2Cl)CCC1)c1cc(C#N)ccn1 ZINC000903038259 1046146663 /nfs/dbraw/zinc/14/66/63/1046146663.db2.gz IVAWSRTWOXYGGP-CYBMUJFWSA-N 1 1 311.816 4.337 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)co2)cc1 ZINC000085330987 1046153115 /nfs/dbraw/zinc/15/31/15/1046153115.db2.gz ZCZHYMGMVSUVPP-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CC2(C#N)CC2)CCC3)cc1 ZINC000903106904 1046164680 /nfs/dbraw/zinc/16/46/80/1046164680.db2.gz YIOUGQRYUMWVMQ-HNNXBMFYSA-N 1 1 323.465 4.389 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000903106944 1046165964 /nfs/dbraw/zinc/16/59/64/1046165964.db2.gz YZXONIUUZFRZKS-NSHDSACASA-N 1 1 314.376 4.295 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nnc(C)s1)c1cccc(Cl)c1 ZINC000903146705 1046176526 /nfs/dbraw/zinc/17/65/26/1046176526.db2.gz JMQHQIIGYROSAX-AWEZNQCLSA-N 1 1 307.850 4.297 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000757650123 1046197209 /nfs/dbraw/zinc/19/72/09/1046197209.db2.gz KXCNVYKAZZXIGY-MRXNPFEDSA-N 1 1 308.425 4.458 20 30 DIEDMO COc1c(Cl)cc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC001138478082 1046197255 /nfs/dbraw/zinc/19/72/55/1046197255.db2.gz SOXNYJRQKJVGKQ-UHFFFAOYSA-N 1 1 313.228 4.128 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc2)cc1 ZINC001138516474 1046208714 /nfs/dbraw/zinc/20/87/14/1046208714.db2.gz MHOSKEOICXVGMT-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198181 1046222151 /nfs/dbraw/zinc/22/21/51/1046222151.db2.gz SNWFUEGRJUMSTA-UZLBHIALSA-N 1 1 320.436 4.225 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC001138559046 1046226424 /nfs/dbraw/zinc/22/64/24/1046226424.db2.gz NAMQOOBIEHAWIX-OAQYLSRUSA-N 1 1 321.420 4.044 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297737 1046229165 /nfs/dbraw/zinc/22/91/65/1046229165.db2.gz JMZVFBJVGNAMBC-LAUBAEHRSA-N 1 1 319.452 4.390 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000245506384 1046237935 /nfs/dbraw/zinc/23/79/35/1046237935.db2.gz NWSBZCNOUUVJEJ-JXFKEZNVSA-N 1 1 306.409 4.315 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000245506386 1046238289 /nfs/dbraw/zinc/23/82/89/1046238289.db2.gz NWSBZCNOUUVJEJ-UZLBHIALSA-N 1 1 306.409 4.315 20 30 DIEDMO C=CCc1cccc(C[N@@H+](CC)Cc2cccc(OC)c2)c1O ZINC001138628488 1046246093 /nfs/dbraw/zinc/24/60/93/1046246093.db2.gz VMPGAMWZLPPLBP-UHFFFAOYSA-N 1 1 311.425 4.151 20 30 DIEDMO C=CCc1cccc(C[N@H+](C)Cc2nc3ccccc3s2)c1O ZINC001138625569 1046246830 /nfs/dbraw/zinc/24/68/30/1046246830.db2.gz OXGYSTZHPRQPFK-UHFFFAOYSA-N 1 1 324.449 4.362 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)Cc2nc3ccccc3s2)c1O ZINC001138625569 1046246843 /nfs/dbraw/zinc/24/68/43/1046246843.db2.gz OXGYSTZHPRQPFK-UHFFFAOYSA-N 1 1 324.449 4.362 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1O ZINC001138628202 1046247656 /nfs/dbraw/zinc/24/76/56/1046247656.db2.gz QJXNZAJXJCKTJW-UHFFFAOYSA-N 1 1 305.421 4.410 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1O ZINC001138629220 1046247794 /nfs/dbraw/zinc/24/77/94/1046247794.db2.gz QXCDFSCGOKIRIK-INIZCTEOSA-N 1 1 311.400 4.249 20 30 DIEDMO C=CCc1cccc(C[N@H+](C)[C@H](C)c2ccccc2OC)c1O ZINC001138628628 1046248186 /nfs/dbraw/zinc/24/81/86/1046248186.db2.gz ZBWRUUDAYMQHBY-OAHLLOKOSA-N 1 1 311.425 4.322 20 30 DIEDMO CC(=NOCc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000758144186 1046251410 /nfs/dbraw/zinc/25/14/10/1046251410.db2.gz YDYILJWXLLPFRG-UHFFFAOYSA-N 1 1 323.371 4.261 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001138663632 1046260655 /nfs/dbraw/zinc/26/06/55/1046260655.db2.gz ATOQIYJAQQUANR-OAQYLSRUSA-N 1 1 323.436 4.215 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001138663632 1046260667 /nfs/dbraw/zinc/26/06/67/1046260667.db2.gz ATOQIYJAQQUANR-OAQYLSRUSA-N 1 1 323.436 4.215 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138780659 1046291800 /nfs/dbraw/zinc/29/18/00/1046291800.db2.gz YMDBQMBQDIKMFX-SFHVURJKSA-N 1 1 307.482 4.375 20 30 DIEDMO Cc1ccc2cc(C[NH+]3CCC(C)(C#N)CC3)c(Cl)nc2c1 ZINC001138862952 1046312396 /nfs/dbraw/zinc/31/23/96/1046312396.db2.gz WANYFABQVDOBMV-UHFFFAOYSA-N 1 1 313.832 4.322 20 30 DIEDMO CCCCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001138954774 1046339390 /nfs/dbraw/zinc/33/93/90/1046339390.db2.gz ACIQEHVUOANDTK-UHFFFAOYSA-N 1 1 308.425 4.369 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001138959586 1046340832 /nfs/dbraw/zinc/34/08/32/1046340832.db2.gz JLSFKWSUMDIODZ-AWEZNQCLSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001138959586 1046340851 /nfs/dbraw/zinc/34/08/51/1046340851.db2.gz JLSFKWSUMDIODZ-AWEZNQCLSA-N 1 1 306.837 4.253 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC(=O)CC)cc1)C1CCCCC1 ZINC001138965752 1046343849 /nfs/dbraw/zinc/34/38/49/1046343849.db2.gz BADWHOBQDGLPFI-UHFFFAOYSA-N 1 1 301.430 4.323 20 30 DIEDMO CCOc1ccc(Cl)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139010836 1046355088 /nfs/dbraw/zinc/35/50/88/1046355088.db2.gz GFKXRUOBECZNQL-DVSIDAKKSA-N 1 1 304.821 4.005 20 30 DIEDMO CCOc1ccc(Cl)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139010836 1046355099 /nfs/dbraw/zinc/35/50/99/1046355099.db2.gz GFKXRUOBECZNQL-DVSIDAKKSA-N 1 1 304.821 4.005 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001139030698 1046363442 /nfs/dbraw/zinc/36/34/42/1046363442.db2.gz SBTKDUKRWDSTSH-RMKNXTFCSA-N 1 1 308.425 4.182 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001139030332 1046363965 /nfs/dbraw/zinc/36/39/65/1046363965.db2.gz JOOLVAGTGZWXHY-IBGZPJMESA-N 1 1 308.425 4.292 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001139030742 1046364166 /nfs/dbraw/zinc/36/41/66/1046364166.db2.gz SQEFQTRWROVPKW-SFHVURJKSA-N 1 1 323.436 4.250 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cccc2cccnc21 ZINC001139029526 1046364849 /nfs/dbraw/zinc/36/48/49/1046364849.db2.gz CAKAFEXBTXOFTQ-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO CCCn1cc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001139040810 1046366678 /nfs/dbraw/zinc/36/66/78/1046366678.db2.gz NQQSGYNZDYCOHQ-UHFFFAOYSA-N 1 1 302.466 4.122 20 30 DIEDMO CCCn1cc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001139040810 1046366691 /nfs/dbraw/zinc/36/66/91/1046366691.db2.gz NQQSGYNZDYCOHQ-UHFFFAOYSA-N 1 1 302.466 4.122 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139036505 1046366995 /nfs/dbraw/zinc/36/69/95/1046366995.db2.gz QZHQKZTTYGZBAB-UHFFFAOYSA-N 1 1 308.425 4.488 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139036505 1046367005 /nfs/dbraw/zinc/36/70/05/1046367005.db2.gz QZHQKZTTYGZBAB-UHFFFAOYSA-N 1 1 308.425 4.488 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001139036451 1046367301 /nfs/dbraw/zinc/36/73/01/1046367301.db2.gz PSPHDDZCNDPGEC-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1C(C)(C)C#N ZINC000796639514 1046379789 /nfs/dbraw/zinc/37/97/89/1046379789.db2.gz NZOJMQUSGLCRLJ-UHFFFAOYSA-N 1 1 302.421 4.123 20 30 DIEDMO CCn1ccc2c1cccc2C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001139154882 1046393985 /nfs/dbraw/zinc/39/39/85/1046393985.db2.gz YYMQNXNQQPXWIE-UHFFFAOYSA-N 1 1 303.409 4.165 20 30 DIEDMO CCn1ccc2c1cccc2C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001139155167 1046398390 /nfs/dbraw/zinc/39/83/90/1046398390.db2.gz IDDATLXKLFRIHE-UHFFFAOYSA-N 1 1 303.409 4.165 20 30 DIEDMO Cn1ccc2c1cccc2C[N@H+](CCC#N)Cc1ccccc1 ZINC001139156694 1046398663 /nfs/dbraw/zinc/39/86/63/1046398663.db2.gz FHEVBQPFXRGHSS-UHFFFAOYSA-N 1 1 303.409 4.094 20 30 DIEDMO Cn1ccc2c1cccc2C[N@@H+](CCC#N)Cc1ccccc1 ZINC001139156694 1046398672 /nfs/dbraw/zinc/39/86/72/1046398672.db2.gz FHEVBQPFXRGHSS-UHFFFAOYSA-N 1 1 303.409 4.094 20 30 DIEDMO CCCCCCCC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001168208408 1046422260 /nfs/dbraw/zinc/42/22/60/1046422260.db2.gz PBWMBAHEIYVLTI-UHFFFAOYSA-N 1 1 300.487 4.146 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139294117 1046425700 /nfs/dbraw/zinc/42/57/00/1046425700.db2.gz OGTWJOUIDMCABJ-UHFFFAOYSA-N 1 1 324.534 4.111 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139402678 1046443850 /nfs/dbraw/zinc/44/38/50/1046443850.db2.gz WDRCCVXNOWNYHH-MRXNPFEDSA-N 1 1 305.425 4.242 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424298 1046449287 /nfs/dbraw/zinc/44/92/87/1046449287.db2.gz OVLUMKPVFZZCJN-OAHLLOKOSA-N 1 1 307.397 4.120 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC000123795298 1046449328 /nfs/dbraw/zinc/44/93/28/1046449328.db2.gz ATVHGUYEWRHOGR-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC000123795298 1046449330 /nfs/dbraw/zinc/44/93/30/1046449330.db2.gz ATVHGUYEWRHOGR-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1cn(Cc2ccccc2)nn1 ZINC001139488844 1046456713 /nfs/dbraw/zinc/45/67/13/1046456713.db2.gz QFBHVZUGAHSOJE-UHFFFAOYSA-N 1 1 314.477 4.119 20 30 DIEDMO Cc1ccccc1OC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139525245 1046463099 /nfs/dbraw/zinc/46/30/99/1046463099.db2.gz HPWJRHPDXFQNIH-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC001139529877 1046463299 /nfs/dbraw/zinc/46/32/99/1046463299.db2.gz FWRXCDJABQZBPU-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO Cc1csc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1Cl ZINC001137287371 1046468238 /nfs/dbraw/zinc/46/82/38/1046468238.db2.gz IHYYKPIXXYRGML-UHFFFAOYSA-N 1 1 302.830 4.140 20 30 DIEDMO Cc1csc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1Cl ZINC001137287371 1046468243 /nfs/dbraw/zinc/46/82/43/1046468243.db2.gz IHYYKPIXXYRGML-UHFFFAOYSA-N 1 1 302.830 4.140 20 30 DIEDMO C#CC[N@@H+](Cc1cnc(Cl)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001139544857 1046468985 /nfs/dbraw/zinc/46/89/85/1046468985.db2.gz DLCUUYTYSKXEIV-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](Cc1cnc(Cl)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001139544857 1046468987 /nfs/dbraw/zinc/46/89/87/1046468987.db2.gz DLCUUYTYSKXEIV-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1Cl ZINC001139594965 1046480256 /nfs/dbraw/zinc/48/02/56/1046480256.db2.gz DROWROBGSUVRFC-UHFFFAOYSA-N 1 1 306.837 4.397 20 30 DIEDMO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1Cl ZINC001139594965 1046480263 /nfs/dbraw/zinc/48/02/63/1046480263.db2.gz DROWROBGSUVRFC-UHFFFAOYSA-N 1 1 306.837 4.397 20 30 DIEDMO C=CCCC[C@H](C)n1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641234874 1046490765 /nfs/dbraw/zinc/49/07/65/1046490765.db2.gz VWDMUPWMRQGVSA-ZBEGNZNMSA-N 1 1 322.815 4.036 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC001139650280 1046495673 /nfs/dbraw/zinc/49/56/73/1046495673.db2.gz YSIGBZGTJXGVGG-KRWDZBQOSA-N 1 1 324.399 4.086 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CC[C@H](C4CCCCC4)C3)c[nH]c21 ZINC001139706503 1046501314 /nfs/dbraw/zinc/50/13/14/1046501314.db2.gz WTRHCDHKGUTPBA-KRWDZBQOSA-N 1 1 307.441 4.442 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1c[nH]c2c1cccc2C#N ZINC001139703870 1046501700 /nfs/dbraw/zinc/50/17/00/1046501700.db2.gz WGENZRLBAKKQJP-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCc4c(Cl)cccc4C3)c[nH]c21 ZINC001139706296 1046501869 /nfs/dbraw/zinc/50/18/69/1046501869.db2.gz QAAUPUSTKDFVQA-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CCc4c(Cl)cccc4C3)c[nH]c21 ZINC001139706296 1046501876 /nfs/dbraw/zinc/50/18/76/1046501876.db2.gz QAAUPUSTKDFVQA-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO Cc1cccc(CC[N@H+](C)Cc2c[nH]c3c2cccc3C#N)c1 ZINC001139702934 1046502501 /nfs/dbraw/zinc/50/25/01/1046502501.db2.gz DCUKHLIDBVVFQT-UHFFFAOYSA-N 1 1 303.409 4.023 20 30 DIEDMO CC1(C)CCC2(CC[NH+](Cc3cccc(Cl)c3C#N)CC2)O1 ZINC001139693360 1046502525 /nfs/dbraw/zinc/50/25/25/1046502525.db2.gz DPCGAVCNZWIKFC-UHFFFAOYSA-N 1 1 318.848 4.135 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1C#N ZINC001139726115 1046507091 /nfs/dbraw/zinc/50/70/91/1046507091.db2.gz SKGWQHFOTIFZHD-LJQANCHMSA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1C#N ZINC001139726115 1046507099 /nfs/dbraw/zinc/50/70/99/1046507099.db2.gz SKGWQHFOTIFZHD-LJQANCHMSA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1C#N ZINC001139726295 1046507748 /nfs/dbraw/zinc/50/77/48/1046507748.db2.gz GDZYNBHJVJWWSR-LJQANCHMSA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(F)ccc2F)cc1C#N ZINC001139726295 1046507759 /nfs/dbraw/zinc/50/77/59/1046507759.db2.gz GDZYNBHJVJWWSR-LJQANCHMSA-N 1 1 312.363 4.482 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2SC)cn1 ZINC001139771156 1046515635 /nfs/dbraw/zinc/51/56/35/1046515635.db2.gz PXXDWWHZQDAPGY-QGZVFWFLSA-N 1 1 313.470 4.128 20 30 DIEDMO C=CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001139774743 1046516261 /nfs/dbraw/zinc/51/62/61/1046516261.db2.gz TVNUIALNYOOJAH-UHFFFAOYSA-N 1 1 310.228 4.008 20 30 DIEDMO C=CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001139774743 1046516269 /nfs/dbraw/zinc/51/62/69/1046516269.db2.gz TVNUIALNYOOJAH-UHFFFAOYSA-N 1 1 310.228 4.008 20 30 DIEDMO Cc1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139823563 1046527334 /nfs/dbraw/zinc/52/73/34/1046527334.db2.gz QZQVMCFGEOHTHH-HNNXBMFYSA-N 1 1 311.454 4.244 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC001139876253 1046539458 /nfs/dbraw/zinc/53/94/58/1046539458.db2.gz OKEHOHPCMZXDNM-LJQANCHMSA-N 1 1 308.400 4.467 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)cc(C#N)c1 ZINC001139878408 1046539975 /nfs/dbraw/zinc/53/99/75/1046539975.db2.gz KTNIZDXHQAFVLI-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C=CCc1cc(C[N@@H+](C2CC2)C2CCCC2)cc(OC)c1O ZINC000536632110 1046569911 /nfs/dbraw/zinc/56/99/11/1046569911.db2.gz MFLIVGGHTXLQEZ-UHFFFAOYSA-N 1 1 301.430 4.036 20 30 DIEDMO CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783292861 1046575098 /nfs/dbraw/zinc/57/50/98/1046575098.db2.gz COOUJEGTJQZJPI-ZDUSSCGKSA-N 1 1 305.381 4.113 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000678212576 1046586538 /nfs/dbraw/zinc/58/65/38/1046586538.db2.gz JKRJZJHLCAYIQW-HXUWFJFHSA-N 1 1 309.409 4.294 20 30 DIEDMO CCC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1 ZINC001140113828 1046592234 /nfs/dbraw/zinc/59/22/34/1046592234.db2.gz DYVBQRBBWBWAEA-UHFFFAOYSA-N 1 1 303.409 4.452 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)c2c1 ZINC001140115305 1046593797 /nfs/dbraw/zinc/59/37/97/1046593797.db2.gz UFGNOSDEAZPHEX-MRXNPFEDSA-N 1 1 319.383 4.168 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)[C@H]1CCc2ccccc21 ZINC001140118112 1046593880 /nfs/dbraw/zinc/59/38/80/1046593880.db2.gz DFOKHVOFOHWNTP-FQEVSTJZSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c[nH]c3ccc(C#N)cc23)cn1 ZINC001140115686 1046594112 /nfs/dbraw/zinc/59/41/12/1046594112.db2.gz JACPYQXBXRHOJG-FQEVSTJZSA-N 1 1 316.408 4.080 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC001140139927 1046596744 /nfs/dbraw/zinc/59/67/44/1046596744.db2.gz PFBDFKJBODDLCS-QGZVFWFLSA-N 1 1 324.399 4.086 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccncc2)cc1 ZINC001140173329 1046608051 /nfs/dbraw/zinc/60/80/51/1046608051.db2.gz VCSUUOKQUJNLTC-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C=CC[N@H+](C)Cc1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC001140229305 1046620993 /nfs/dbraw/zinc/62/09/93/1046620993.db2.gz FOLGMLMAGOUZNG-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000532980706 1046635998 /nfs/dbraw/zinc/63/59/98/1046635998.db2.gz PWTICKWFJNOWRX-UHFFFAOYSA-N 1 1 322.452 4.114 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nccs2)c1 ZINC001140337617 1046664838 /nfs/dbraw/zinc/66/48/38/1046664838.db2.gz VPNNGNSGZUYDEJ-XGBSXSJOSA-N 1 1 309.438 4.077 20 30 DIEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000784159437 1046668739 /nfs/dbraw/zinc/66/87/39/1046668739.db2.gz PIQUZNMYVCCATO-LZJOCLMNSA-N 1 1 320.436 4.103 20 30 DIEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000784159433 1046668889 /nfs/dbraw/zinc/66/88/89/1046668889.db2.gz PIQUZNMYVCCATO-CBGDNZLLSA-N 1 1 320.436 4.103 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2n[nH]cc2c1)C1CCCCCCC1 ZINC001140386820 1046684208 /nfs/dbraw/zinc/68/42/08/1046684208.db2.gz KNSFONPZDIVSQK-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000533299133 1046691389 /nfs/dbraw/zinc/69/13/89/1046691389.db2.gz CIFKNNLHTSFYII-HZPDHXFCSA-N 1 1 302.462 4.425 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cccc(C(F)(F)F)c1O ZINC000834878481 1046695217 /nfs/dbraw/zinc/69/52/17/1046695217.db2.gz DJTXVEVRLHEDSH-WOPDTQHZSA-N 1 1 312.335 4.144 20 30 DIEDMO N#CCCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000784621749 1046701947 /nfs/dbraw/zinc/70/19/47/1046701947.db2.gz NGXQWUVMWQEOAU-UHFFFAOYSA-N 1 1 323.874 4.341 20 30 DIEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834893705 1046703003 /nfs/dbraw/zinc/70/30/03/1046703003.db2.gz PTEZCNZDZQYTNJ-RJIBLYRGSA-N 1 1 316.228 4.083 20 30 DIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cnc(CC)o2)cc1 ZINC000834899106 1046710424 /nfs/dbraw/zinc/71/04/24/1046710424.db2.gz IAXFHTGUYCSLFU-CYBMUJFWSA-N 1 1 320.820 4.219 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001140432532 1046719592 /nfs/dbraw/zinc/71/95/92/1046719592.db2.gz BDNPCDNUFYCZCN-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3cccc(Cl)c13)C2 ZINC001140432532 1046719602 /nfs/dbraw/zinc/71/96/02/1046719602.db2.gz BDNPCDNUFYCZCN-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC000533443731 1046727400 /nfs/dbraw/zinc/72/74/00/1046727400.db2.gz MBZUUBVORFJEMK-LJQANCHMSA-N 1 1 306.409 4.076 20 30 DIEDMO C[C@H](C#N)C[N@H+](CCCOc1cccc2ccccc21)C1CC1 ZINC000533596461 1046762832 /nfs/dbraw/zinc/76/28/32/1046762832.db2.gz ISHMBZHWPICMPL-MRXNPFEDSA-N 1 1 308.425 4.233 20 30 DIEDMO C[C@H](C#N)C[N@@H+](CCCOc1cccc2ccccc21)C1CC1 ZINC000533596461 1046762848 /nfs/dbraw/zinc/76/28/48/1046762848.db2.gz ISHMBZHWPICMPL-MRXNPFEDSA-N 1 1 308.425 4.233 20 30 DIEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001140602174 1046804406 /nfs/dbraw/zinc/80/44/06/1046804406.db2.gz FYBZSMOSIDCFJH-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001140602791 1046804567 /nfs/dbraw/zinc/80/45/67/1046804567.db2.gz PMBJVTNCPZAYLU-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001140602173 1046805518 /nfs/dbraw/zinc/80/55/18/1046805518.db2.gz FYBZSMOSIDCFJH-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001140603051 1046806517 /nfs/dbraw/zinc/80/65/17/1046806517.db2.gz XURGKRQQKRNKQO-UHFFFAOYSA-N 1 1 306.812 4.316 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140615855 1046812739 /nfs/dbraw/zinc/81/27/39/1046812739.db2.gz JBXONKNMWPKLCJ-UHFFFAOYSA-N 1 1 304.478 4.227 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC(F)F)c(O)c1 ZINC001140628742 1046819969 /nfs/dbraw/zinc/81/99/69/1046819969.db2.gz VIKFOJUXNKCXPX-UHFFFAOYSA-N 1 1 301.377 4.396 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)c(O)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001140658613 1046840748 /nfs/dbraw/zinc/84/07/48/1046840748.db2.gz JFEABWSSIRMVOR-HXUWFJFHSA-N 1 1 305.421 4.132 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000679544822 1046866518 /nfs/dbraw/zinc/86/65/18/1046866518.db2.gz IFJBWRHNPOQGSE-TZMCWYRMSA-N 1 1 315.766 4.354 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000679544822 1046866540 /nfs/dbraw/zinc/86/65/40/1046866540.db2.gz IFJBWRHNPOQGSE-TZMCWYRMSA-N 1 1 315.766 4.354 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000679546872 1046868490 /nfs/dbraw/zinc/86/84/90/1046868490.db2.gz VHQJMDNIBRDFMK-TZMCWYRMSA-N 1 1 315.766 4.354 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000679546872 1046868510 /nfs/dbraw/zinc/86/85/10/1046868510.db2.gz VHQJMDNIBRDFMK-TZMCWYRMSA-N 1 1 315.766 4.354 20 30 DIEDMO Cc1cccnc1N=NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797788667 1046883291 /nfs/dbraw/zinc/88/32/91/1046883291.db2.gz RCVFFYZQAMFLKD-UHFFFAOYSA-N 1 1 322.456 4.233 20 30 DIEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1F ZINC001140754302 1046887734 /nfs/dbraw/zinc/88/77/34/1046887734.db2.gz UVNVWQCQNLOXSE-INIZCTEOSA-N 1 1 312.363 4.216 20 30 DIEDMO C=CC[N@H+](Cc1cc(Br)ccn1)C1CCCCC1 ZINC001140767301 1046891317 /nfs/dbraw/zinc/89/13/17/1046891317.db2.gz JLKUTGZVRXCTGC-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO N#CCCN(Cc1c[nH]c2cc[nH+]cc12)Cc1ccc(Cl)cc1 ZINC001140804880 1046908033 /nfs/dbraw/zinc/90/80/33/1046908033.db2.gz JCNNGBMUEGUYOG-UHFFFAOYSA-N 1 1 324.815 4.132 20 30 DIEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1Cl ZINC001140811239 1046912135 /nfs/dbraw/zinc/91/21/35/1046912135.db2.gz MSXZPAJWXCUABX-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1Cl ZINC001140811239 1046912145 /nfs/dbraw/zinc/91/21/45/1046912145.db2.gz MSXZPAJWXCUABX-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[C@@H]1SCC[N@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000303675414 1046940470 /nfs/dbraw/zinc/94/04/70/1046940470.db2.gz HNAQLUDFFAIUFN-KXBFYZLASA-N 1 1 308.450 4.237 20 30 DIEDMO C[C@@H]1SCC[N@@H+](Cc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000303675414 1046940484 /nfs/dbraw/zinc/94/04/84/1046940484.db2.gz HNAQLUDFFAIUFN-KXBFYZLASA-N 1 1 308.450 4.237 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963638 1046965129 /nfs/dbraw/zinc/96/51/29/1046965129.db2.gz BFOWBJBUGSUZQG-UHFFFAOYSA-N 1 1 314.351 4.409 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1C ZINC001140963638 1046965135 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C=CCC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000121376034 1047516856 /nfs/dbraw/zinc/51/68/56/1047516856.db2.gz ILROFOISDCEHCZ-CXAGYDPISA-N 1 1 319.495 4.084 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)cc(OC)c1)[C@@H]1CCc2ccccc21 ZINC001143156986 1047535737 /nfs/dbraw/zinc/53/57/37/1047535737.db2.gz UPYRAJWYHUWVAB-OAQYLSRUSA-N 1 1 305.421 4.126 20 30 DIEDMO CCCCCCCCCCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001149672153 1047566662 /nfs/dbraw/zinc/56/66/62/1047566662.db2.gz RAZXEDWGAVPLHY-BGYRXZFFSA-N 1 1 322.537 4.317 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538147687 1047661269 /nfs/dbraw/zinc/66/12/69/1047661269.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538147687 1047661271 /nfs/dbraw/zinc/66/12/71/1047661271.db2.gz MXSDJOQBIRBWBS-QUCCMNQESA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1Cl ZINC000538719837 1047700583 /nfs/dbraw/zinc/70/05/83/1047700583.db2.gz MCRSEYLKTCZDEX-UHFFFAOYSA-N 1 1 323.864 4.153 20 30 DIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721770 1047701233 /nfs/dbraw/zinc/70/12/33/1047701233.db2.gz CRNVOMPAYCAVQM-LRDDRELGSA-N 1 1 300.427 4.494 20 30 DIEDMO C=CCCC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000538737206 1047704645 /nfs/dbraw/zinc/70/46/45/1047704645.db2.gz MFDPHNBWCHPAQI-UHFFFAOYSA-N 1 1 322.246 4.123 20 30 DIEDMO N#Cc1csc(C[NH+]2CCC(=Cc3ccccc3F)CC2)c1 ZINC000538807853 1047713627 /nfs/dbraw/zinc/71/36/27/1047713627.db2.gz GIAOPXSDWKJCGE-UHFFFAOYSA-N 1 1 312.413 4.438 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001156837434 1047723340 /nfs/dbraw/zinc/72/33/40/1047723340.db2.gz UKPXUTHRFUDJHH-IAGOWNOFSA-N 1 1 310.526 4.220 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001156837433 1047723372 /nfs/dbraw/zinc/72/33/72/1047723372.db2.gz UKPXUTHRFUDJHH-DLBZAZTESA-N 1 1 310.526 4.220 20 30 DIEDMO Cc1ccc(CC#N)c(N2CCC[C@@H]2c2c(F)cccc2F)[nH+]1 ZINC001156948359 1047730571 /nfs/dbraw/zinc/73/05/71/1047730571.db2.gz SCOJWEVWNLXSPT-MRXNPFEDSA-N 1 1 313.351 4.076 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1F ZINC000539200094 1047741470 /nfs/dbraw/zinc/74/14/70/1047741470.db2.gz YGIHGZPLQYONIV-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1F ZINC000539200094 1047741476 /nfs/dbraw/zinc/74/14/76/1047741476.db2.gz YGIHGZPLQYONIV-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1c[nH]c2cc[nH+]c(NCCc3ccc4ccccc4c3)c12 ZINC001157911091 1047763398 /nfs/dbraw/zinc/76/33/98/1047763398.db2.gz XGDNFLFPRCBOFX-UHFFFAOYSA-N 1 1 312.376 4.242 20 30 DIEDMO Cc1[nH+]c(NCc2ccc(-c3ccccn3)cc2)ccc1CC#N ZINC001158912176 1047804312 /nfs/dbraw/zinc/80/43/12/1047804312.db2.gz PJPQRFYEETWQPC-UHFFFAOYSA-N 1 1 314.392 4.130 20 30 DIEDMO Cc1ccc(CC#N)c(NCc2ccc(-c3ccccn3)cc2)[nH+]1 ZINC001158912163 1047804332 /nfs/dbraw/zinc/80/43/32/1047804332.db2.gz OTRGVTZIOAMTTI-UHFFFAOYSA-N 1 1 314.392 4.130 20 30 DIEDMO CC#CCCCCCCCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001182770604 1047843040 /nfs/dbraw/zinc/84/30/40/1047843040.db2.gz QKNJTDRUMXABPF-IBGZPJMESA-N 1 1 320.521 4.121 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683173 1047869032 /nfs/dbraw/zinc/86/90/32/1047869032.db2.gz UDPFOVULPZTCAS-MRXNPFEDSA-N 1 1 318.420 4.437 20 30 DIEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cc(Br)ccc3o2)C1 ZINC001183065977 1047886418 /nfs/dbraw/zinc/88/64/18/1047886418.db2.gz UGRTYKDCVVQGFL-GFCCVEGCSA-N 1 1 318.214 4.041 20 30 DIEDMO C#CC[C@@H]1CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001183065888 1047887154 /nfs/dbraw/zinc/88/71/54/1047887154.db2.gz QYQVRONWLINLPB-JOCHJYFZSA-N 1 1 317.476 4.433 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(Cl)c(Br)c1)C(C)(C)C ZINC001197937031 1047905497 /nfs/dbraw/zinc/90/54/97/1047905497.db2.gz GHXCRTHAXXUHNM-UHFFFAOYSA-N 1 1 314.654 4.336 20 30 DIEDMO C=CCCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000479511671 1047916802 /nfs/dbraw/zinc/91/68/02/1047916802.db2.gz JHXNEGLLLNFWTM-MRXNPFEDSA-N 1 1 300.446 4.356 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC001198059958 1047919472 /nfs/dbraw/zinc/91/94/72/1047919472.db2.gz JXUNDKNZSREFKN-UHFFFAOYSA-N 1 1 310.828 4.419 20 30 DIEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H](c3ccccc3)C(F)(F)F)c12 ZINC001159773585 1047920280 /nfs/dbraw/zinc/92/02/80/1047920280.db2.gz WIGIAXGLGBAAKN-AWEZNQCLSA-N 1 1 316.286 4.150 20 30 DIEDMO C=CCCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000479545610 1047924143 /nfs/dbraw/zinc/92/41/43/1047924143.db2.gz PGAMJZQDQNHNIW-MRXNPFEDSA-N 1 1 300.446 4.213 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1F ZINC000774627525 1047929587 /nfs/dbraw/zinc/92/95/87/1047929587.db2.gz RDTVMNONPVELPK-UHFFFAOYSA-N 1 1 324.399 4.348 20 30 DIEDMO CC1(C)CC[N@@H+](Cc2nc(C#N)cs2)C[C@@H]1c1ccccc1 ZINC001198201961 1047934398 /nfs/dbraw/zinc/93/43/98/1047934398.db2.gz HNGIFCDVFWFROO-MRXNPFEDSA-N 1 1 311.454 4.030 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC001198210706 1047934563 /nfs/dbraw/zinc/93/45/63/1047934563.db2.gz KQZMETGUUSBEBC-QGZVFWFLSA-N 1 1 307.482 4.383 20 30 DIEDMO C=C(Cl)C[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001198269718 1047943702 /nfs/dbraw/zinc/94/37/02/1047943702.db2.gz DQRRYGVYCHOEQG-AWEZNQCLSA-N 1 1 314.654 4.209 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490416 1047964539 /nfs/dbraw/zinc/96/45/39/1047964539.db2.gz JVNJRYOMFZIRDG-MRXNPFEDSA-N 1 1 315.848 4.044 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490416 1047964548 /nfs/dbraw/zinc/96/45/48/1047964548.db2.gz JVNJRYOMFZIRDG-MRXNPFEDSA-N 1 1 315.848 4.044 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+][C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001184022764 1047990444 /nfs/dbraw/zinc/99/04/44/1047990444.db2.gz HAHQSLSPUFBFFR-MSOLQXFVSA-N 1 1 317.473 4.274 20 30 DIEDMO CCCCCCCC[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001198767484 1048005775 /nfs/dbraw/zinc/00/57/75/1048005775.db2.gz CRDJZTNCUFEWDJ-FVQHAEBGSA-N 1 1 324.509 4.144 20 30 DIEDMO Cc1nsc(Nc2ccc([NH+]3CCCCCC3)cc2)c1C#N ZINC001184645120 1048070894 /nfs/dbraw/zinc/07/08/94/1048070894.db2.gz ZHDZNKLMFBAIKK-UHFFFAOYSA-N 1 1 312.442 4.447 20 30 DIEDMO N#Cc1ccc(F)cc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001185262212 1048154187 /nfs/dbraw/zinc/15/41/87/1048154187.db2.gz AKDVBCOISVXSFB-GOSISDBHSA-N 1 1 315.436 4.154 20 30 DIEDMO CO[C@@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000554820904 1048195191 /nfs/dbraw/zinc/19/51/91/1048195191.db2.gz RCDBGAQRYMYVDV-INIZCTEOSA-N 1 1 308.853 4.289 20 30 DIEDMO CO[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccc(Cl)cc1 ZINC000554820904 1048195193 /nfs/dbraw/zinc/19/51/93/1048195193.db2.gz RCDBGAQRYMYVDV-INIZCTEOSA-N 1 1 308.853 4.289 20 30 DIEDMO CC1(CNc2[nH+]ccc3[nH]cc(C#N)c32)CCC(F)(F)CC1 ZINC001162030344 1048217625 /nfs/dbraw/zinc/21/76/25/1048217625.db2.gz GAKUGKLENSUSIT-UHFFFAOYSA-N 1 1 304.344 4.062 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(Br)c1 ZINC000480718510 1048228057 /nfs/dbraw/zinc/22/80/57/1048228057.db2.gz PXPVHBLIYVCRIA-MRXNPFEDSA-N 1 1 319.246 4.085 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2nc(CC)co2)cc1 ZINC001162144100 1048232023 /nfs/dbraw/zinc/23/20/23/1048232023.db2.gz ZBFHTGOBNUJSHI-GOSISDBHSA-N 1 1 311.429 4.172 20 30 DIEDMO COc1cccc2cc([C@H](C)[NH2+]Cc3cc(C#N)ccc3F)oc21 ZINC000776165554 1048260736 /nfs/dbraw/zinc/26/07/36/1048260736.db2.gz RZDFXMHBUBZPKG-LBPRGKRZSA-N 1 1 324.355 4.303 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](CC)CCCC)C2 ZINC001201565852 1048318939 /nfs/dbraw/zinc/31/89/39/1048318939.db2.gz LAORQPMPYWYNFT-CEXWTWQISA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](CC)CCCC)C2 ZINC001201565855 1048320006 /nfs/dbraw/zinc/32/00/06/1048320006.db2.gz LAORQPMPYWYNFT-QYZOEREBSA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](CC)CCCC)CC2 ZINC001201564545 1048320434 /nfs/dbraw/zinc/32/04/34/1048320434.db2.gz BSOUXBBGMRFVCF-QUCCMNQESA-N 1 1 320.521 4.236 20 30 DIEDMO CC(C)(C)C(=[NH2+])Nc1c(C#N)c(Cl)nc2cccc(F)c21 ZINC001162660386 1048331845 /nfs/dbraw/zinc/33/18/45/1048331845.db2.gz KOJMYCPKOJRTFA-UHFFFAOYSA-N 1 1 304.756 4.334 20 30 DIEDMO N#Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1Cl ZINC001175506372 1048340198 /nfs/dbraw/zinc/34/01/98/1048340198.db2.gz WQWASMLHWVZVKO-UHFFFAOYSA-N 1 1 323.827 4.413 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000481250370 1048341619 /nfs/dbraw/zinc/34/16/19/1048341619.db2.gz CTIHSEMAEUPEMM-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000481250370 1048341631 /nfs/dbraw/zinc/34/16/31/1048341631.db2.gz CTIHSEMAEUPEMM-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000481279480 1048352769 /nfs/dbraw/zinc/35/27/69/1048352769.db2.gz DOTCTHNUXKHJPB-GOSISDBHSA-N 1 1 312.388 4.013 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000481279480 1048352785 /nfs/dbraw/zinc/35/27/85/1048352785.db2.gz DOTCTHNUXKHJPB-GOSISDBHSA-N 1 1 312.388 4.013 20 30 DIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(F)cc1Cl ZINC001175533435 1048359397 /nfs/dbraw/zinc/35/93/97/1048359397.db2.gz XKLZCHLYYXBEFG-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CC(C)C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCCc2cccnc21 ZINC000481307270 1048360238 /nfs/dbraw/zinc/36/02/38/1048360238.db2.gz KUMTYXSWNIVQQQ-HXUWFJFHSA-N 1 1 319.452 4.489 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121536 1048367781 /nfs/dbraw/zinc/36/77/81/1048367781.db2.gz WAIDSUUMCZYLGH-FPOVZHCZSA-N 1 1 315.420 4.440 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001201804783 1048374720 /nfs/dbraw/zinc/37/47/20/1048374720.db2.gz SFXCXLJIKANZQX-SJORKVTESA-N 1 1 300.446 4.015 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001201798133 1048374865 /nfs/dbraw/zinc/37/48/65/1048374865.db2.gz PQUAEDYTHDZBCI-GOSISDBHSA-N 1 1 314.473 4.077 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001201813234 1048376651 /nfs/dbraw/zinc/37/66/51/1048376651.db2.gz COQAKTXMOZYIDF-HKUYNNGSSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCCC[N@@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001201813450 1048377034 /nfs/dbraw/zinc/37/70/34/1048377034.db2.gz DLWVNQJWOYZOCF-MRXNPFEDSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCC[N@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001201813450 1048377048 /nfs/dbraw/zinc/37/70/48/1048377048.db2.gz DLWVNQJWOYZOCF-MRXNPFEDSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001201813149 1048377836 /nfs/dbraw/zinc/37/78/36/1048377836.db2.gz BETKIHDJKBASRS-RTBURBONSA-N 1 1 311.510 4.255 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201776494 1048377978 /nfs/dbraw/zinc/37/79/78/1048377978.db2.gz DQGYZDKZFUNNRK-IRXDYDNUSA-N 1 1 321.534 4.010 20 30 DIEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201787217 1048379995 /nfs/dbraw/zinc/37/99/95/1048379995.db2.gz ADTUGTSAQRCNAP-INIZCTEOSA-N 1 1 312.498 4.146 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201826342 1048383503 /nfs/dbraw/zinc/38/35/03/1048383503.db2.gz SMMDGZQPXRAMGW-OALUTQOASA-N 1 1 309.494 4.007 20 30 DIEDMO CCCCCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201840221 1048387731 /nfs/dbraw/zinc/38/77/31/1048387731.db2.gz PLPGKLLMLVNWKX-GFCCVEGCSA-N 1 1 318.387 4.034 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001201840221 1048387738 /nfs/dbraw/zinc/38/77/38/1048387738.db2.gz PLPGKLLMLVNWKX-GFCCVEGCSA-N 1 1 318.387 4.034 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201846900 1048388931 /nfs/dbraw/zinc/38/89/31/1048388931.db2.gz OTNABNTYPPTUNY-RTBURBONSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001201846891 1048388955 /nfs/dbraw/zinc/38/89/55/1048388955.db2.gz OTNABNTYPPTUNY-MOPGFXCFSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201846895 1048390187 /nfs/dbraw/zinc/39/01/87/1048390187.db2.gz OTNABNTYPPTUNY-RBUKOAKNSA-N 1 1 322.537 4.316 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481398347 1048392669 /nfs/dbraw/zinc/39/26/69/1048392669.db2.gz DOZBCNFYYKMSHC-IBGZPJMESA-N 1 1 305.425 4.243 20 30 DIEDMO C[N@@H+](CCc1cccc(Nc2cc(F)ccc2C#N)c1)C1CC1 ZINC001162943732 1048393372 /nfs/dbraw/zinc/39/33/72/1048393372.db2.gz RLIKETBTVWIKEE-UHFFFAOYSA-N 1 1 309.388 4.078 20 30 DIEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCCc4cc(F)ccc43)c12 ZINC001162971451 1048398156 /nfs/dbraw/zinc/39/81/56/1048398156.db2.gz IOLDIOFRWTUTOO-HNNXBMFYSA-N 1 1 306.344 4.063 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481671462 1048453017 /nfs/dbraw/zinc/45/30/17/1048453017.db2.gz BPRMLPDEGSTZIZ-KKSFZXQISA-N 1 1 318.420 4.141 20 30 DIEDMO Cn1c[nH+]c2cc(N[C@H]3CCCCc4cc(C#N)ccc43)ccc21 ZINC000481989649 1048540984 /nfs/dbraw/zinc/54/09/84/1048540984.db2.gz GNJCUXIFWDQCAT-SFHVURJKSA-N 1 1 316.408 4.325 20 30 DIEDMO C=CCc1cc(C)c[nH+]c1NC[C@@H](C)Oc1ccc(OC)cc1 ZINC001164041675 1048570801 /nfs/dbraw/zinc/57/08/01/1048570801.db2.gz LZAQGFNIPQGCRS-OAHLLOKOSA-N 1 1 312.413 4.007 20 30 DIEDMO C=CCc1cc(C)c[nH+]c1NC[C@H](C)Oc1ccc(OC)cc1 ZINC001164041673 1048571989 /nfs/dbraw/zinc/57/19/89/1048571989.db2.gz LZAQGFNIPQGCRS-HNNXBMFYSA-N 1 1 312.413 4.007 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001252130559 1048591841 /nfs/dbraw/zinc/59/18/41/1048591841.db2.gz TWVJRLKCGJLAAI-MRXNPFEDSA-N 1 1 312.885 4.278 20 30 DIEDMO CCC[N@@H+](CCOCCC#N)[C@H](C)c1cc2ccccc2o1 ZINC000338923583 1048593181 /nfs/dbraw/zinc/59/31/81/1048593181.db2.gz CXMPHUHIHDYVAP-OAHLLOKOSA-N 1 1 300.402 4.136 20 30 DIEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000482568813 1048636560 /nfs/dbraw/zinc/63/65/60/1048636560.db2.gz RTJFTLNZUNYGGJ-IBGZPJMESA-N 1 1 312.363 4.000 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(OC(F)F)c1 ZINC000160114011 1048638489 /nfs/dbraw/zinc/63/84/89/1048638489.db2.gz PYNKIEZFOSSJDL-LBPRGKRZSA-N 1 1 302.324 4.010 20 30 DIEDMO Fc1ccc(C#CC[N@@H+](Cc2cccc(F)c2)C2CCC2)cc1 ZINC001176304833 1048641194 /nfs/dbraw/zinc/64/11/94/1048641194.db2.gz QXFYGTHKZFNOFV-UHFFFAOYSA-N 1 1 311.375 4.371 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC001176453695 1048687826 /nfs/dbraw/zinc/68/78/26/1048687826.db2.gz XMVOTDQFLHWJJE-JOCHJYFZSA-N 1 1 314.432 4.380 20 30 DIEDMO C#CC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@H]1CCCc2ccccc21 ZINC001176453385 1048687968 /nfs/dbraw/zinc/68/79/68/1048687968.db2.gz SVOOQABZCIGARD-QAPCUYQASA-N 1 1 303.396 4.435 20 30 DIEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cnn1-c1ccccc1 ZINC000850551616 1048688412 /nfs/dbraw/zinc/68/84/12/1048688412.db2.gz UQSJGOPWFYEKAP-MRXNPFEDSA-N 1 1 322.456 4.305 20 30 DIEDMO N#Cc1ccc(OCCC[N@@H+](CC2CCCCC2)C2CC2)cc1 ZINC001190426661 1048735754 /nfs/dbraw/zinc/73/57/54/1048735754.db2.gz JGFKGDVQDOSXPI-UHFFFAOYSA-N 1 1 312.457 4.372 20 30 DIEDMO C#CC[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCc2ccccc21 ZINC001190527134 1048749709 /nfs/dbraw/zinc/74/97/09/1048749709.db2.gz DPQRBQDQECVPMB-HXUWFJFHSA-N 1 1 306.453 4.473 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](CCc1ccccc1)CC(C)C ZINC001190550463 1048752981 /nfs/dbraw/zinc/75/29/81/1048752981.db2.gz JREIAZHSZWWOGJ-UHFFFAOYSA-N 1 1 322.452 4.268 20 30 DIEDMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187790 1048754315 /nfs/dbraw/zinc/75/43/15/1048754315.db2.gz VQVYMWNGZDEXRJ-FQEVSTJZSA-N 1 1 323.440 4.023 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000775400431 1048761307 /nfs/dbraw/zinc/76/13/07/1048761307.db2.gz OZWNEDNCXNMEOK-IBGZPJMESA-N 1 1 320.367 4.335 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](CCc1ccccc1)C(C)C ZINC001190582325 1048762589 /nfs/dbraw/zinc/76/25/89/1048762589.db2.gz WFWFUMDZSWOPNB-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO Cc1[nH+]c(N2CCC(CCc3ccccc3)CC2)ccc1CC#N ZINC001166573244 1048764763 /nfs/dbraw/zinc/76/47/63/1048764763.db2.gz YEZUJELFXUMGMV-UHFFFAOYSA-N 1 1 319.452 4.305 20 30 DIEDMO CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483259701 1048765258 /nfs/dbraw/zinc/76/52/58/1048765258.db2.gz XUIZHWPRRALITQ-SFHVURJKSA-N 1 1 315.848 4.379 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC001190699237 1048771784 /nfs/dbraw/zinc/77/17/84/1048771784.db2.gz GKGCFCGEVOLCCR-LJQANCHMSA-N 1 1 321.420 4.197 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@@](O)(c1ccccc1)C(C)C ZINC001190700121 1048773197 /nfs/dbraw/zinc/77/31/97/1048773197.db2.gz UPSWISBSWNCKRC-QFIPXVFZSA-N 1 1 323.480 4.261 20 30 DIEDMO COCC[N@@H+](CC/C=C\c1ccccc1)Cc1ccc(C#N)cc1 ZINC001190810375 1048789216 /nfs/dbraw/zinc/78/92/16/1048789216.db2.gz PHJOWGOFHZICBJ-UITAMQMPSA-N 1 1 320.436 4.110 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771795 1048789612 /nfs/dbraw/zinc/78/96/12/1048789612.db2.gz VRSZYTYHBXKVMU-IRXDYDNUSA-N 1 1 318.848 4.264 20 30 DIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC001176797860 1048789641 /nfs/dbraw/zinc/78/96/41/1048789641.db2.gz GHMYMVHPDOYDEX-DLBZAZTESA-N 1 1 314.473 4.031 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001190854694 1048793137 /nfs/dbraw/zinc/79/31/37/1048793137.db2.gz JTFKYBJHSJVHNM-LJQANCHMSA-N 1 1 320.436 4.022 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001190854690 1048793854 /nfs/dbraw/zinc/79/38/54/1048793854.db2.gz JTFKYBJHSJVHNM-IBGZPJMESA-N 1 1 320.436 4.022 20 30 DIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190864222 1048795959 /nfs/dbraw/zinc/79/59/59/1048795959.db2.gz FJHFTFSRFZGTHV-OKILXGFUSA-N 1 1 311.347 4.200 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC001190873503 1048798153 /nfs/dbraw/zinc/79/81/53/1048798153.db2.gz WFPHMKKQBMMICD-UHFFFAOYSA-N 1 1 312.457 4.373 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC001190884493 1048799306 /nfs/dbraw/zinc/79/93/06/1048799306.db2.gz WFWIVIUKQXYYGH-NRFANRHFSA-N 1 1 320.436 4.139 20 30 DIEDMO N#CC1CCC(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC001190894670 1048800118 /nfs/dbraw/zinc/80/01/18/1048800118.db2.gz GXCYLSCMTSPTDM-UHFFFAOYSA-N 1 1 312.457 4.467 20 30 DIEDMO C[N@@H+](CCSc1cccc(C#N)c1Cl)Cc1ccccc1 ZINC001166872560 1048805847 /nfs/dbraw/zinc/80/58/47/1048805847.db2.gz LLHXSLGDMRXTKR-UHFFFAOYSA-N 1 1 316.857 4.436 20 30 DIEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000852100767 1048824476 /nfs/dbraw/zinc/82/44/76/1048824476.db2.gz AUHZMXARERGRLD-KRWDZBQOSA-N 1 1 302.805 4.195 20 30 DIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000852333955 1048836792 /nfs/dbraw/zinc/83/67/92/1048836792.db2.gz ZKRZYFMURJHPGJ-AWGFCZPBSA-N 1 1 317.436 4.042 20 30 DIEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000852333955 1048836813 /nfs/dbraw/zinc/83/68/13/1048836813.db2.gz ZKRZYFMURJHPGJ-AWGFCZPBSA-N 1 1 317.436 4.042 20 30 DIEDMO Cc1cc(C)c(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852329081 1048838555 /nfs/dbraw/zinc/83/85/55/1048838555.db2.gz SPDVKMUJXDMOPS-OAQYLSRUSA-N 1 1 319.452 4.064 20 30 DIEDMO Cc1cc(C)c(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852329081 1048838567 /nfs/dbraw/zinc/83/85/67/1048838567.db2.gz SPDVKMUJXDMOPS-OAQYLSRUSA-N 1 1 319.452 4.064 20 30 DIEDMO CCCCCCCNC(=O)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001191095690 1048864761 /nfs/dbraw/zinc/86/47/61/1048864761.db2.gz ITMSZWPWGLXCEG-ROUUACIJSA-N 1 1 323.525 4.005 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001191157383 1048870349 /nfs/dbraw/zinc/87/03/49/1048870349.db2.gz XSIUAQXGTZTHPH-YADHBBJMSA-N 1 1 316.448 4.447 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964111 1048890123 /nfs/dbraw/zinc/89/01/23/1048890123.db2.gz NPYMXHDMSHCKOR-SUMWQHHRSA-N 1 1 312.363 4.214 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(Cl)c1 ZINC001191191411 1048892491 /nfs/dbraw/zinc/89/24/91/1048892491.db2.gz AXOOOTAYUDTLNT-QGZVFWFLSA-N 1 1 310.828 4.276 20 30 DIEDMO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000484090910 1048900042 /nfs/dbraw/zinc/90/00/42/1048900042.db2.gz COZDWQAVDKNDJD-UHFFFAOYSA-N 1 1 306.743 4.122 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000484090910 1048900051 /nfs/dbraw/zinc/90/00/51/1048900051.db2.gz COZDWQAVDKNDJD-UHFFFAOYSA-N 1 1 306.743 4.122 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1c1ccccc1 ZINC001191224074 1048903268 /nfs/dbraw/zinc/90/32/68/1048903268.db2.gz SFWCELNVYCADCV-DNVCBOLYSA-N 1 1 308.400 4.323 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000484084557 1048903131 /nfs/dbraw/zinc/90/31/31/1048903131.db2.gz VZOVNUQTIGVSGT-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO Cc1ccc2[nH]c(NCc3ccc(C(C)(C)C#N)cc3)[nH+]c2c1 ZINC001203479274 1048912101 /nfs/dbraw/zinc/91/21/01/1048912101.db2.gz PULJZAWFKQRHMG-UHFFFAOYSA-N 1 1 304.397 4.285 20 30 DIEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CC[C@H]1C(F)(F)F ZINC000484360579 1048926529 /nfs/dbraw/zinc/92/65/29/1048926529.db2.gz ZNBCKTFSIDBNQO-CYBMUJFWSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CC[C@H]1C(F)(F)F ZINC000484360579 1048926539 /nfs/dbraw/zinc/92/65/39/1048926539.db2.gz ZNBCKTFSIDBNQO-CYBMUJFWSA-N 1 1 314.326 4.108 20 30 DIEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC001177669379 1048928112 /nfs/dbraw/zinc/92/81/12/1048928112.db2.gz XDFPOJJORRSVLI-RLLQIKCJSA-N 1 1 304.522 4.366 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000161492612 1048935992 /nfs/dbraw/zinc/93/59/92/1048935992.db2.gz IHLFGOOALXOSNS-CQSZACIVSA-N 1 1 315.388 4.250 20 30 DIEDMO COc1cccc(C[N@@H+](CCC#N)C2CCCCCCC2)c1O ZINC001203592088 1048937527 /nfs/dbraw/zinc/93/75/27/1048937527.db2.gz CHYAHRRDJVYDRI-UHFFFAOYSA-N 1 1 316.445 4.229 20 30 DIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001191477584 1048950455 /nfs/dbraw/zinc/95/04/55/1048950455.db2.gz ZBSRKFUWWCYWBR-FXAWDEMLSA-N 1 1 307.412 4.130 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccncc1 ZINC001177885758 1048958667 /nfs/dbraw/zinc/95/86/67/1048958667.db2.gz SMJZYDBDAHHOHA-ZFWWWQNUSA-N 1 1 313.470 4.070 20 30 DIEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C)CC1CCCCC1 ZINC000484566354 1048976832 /nfs/dbraw/zinc/97/68/32/1048976832.db2.gz DSWDRYXTKIDPAZ-UHFFFAOYSA-N 1 1 300.446 4.002 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccccc2)Cc2cccnc2)c1 ZINC001203760068 1048990406 /nfs/dbraw/zinc/99/04/06/1048990406.db2.gz BEDMYUGXGBGMOL-UHFFFAOYSA-N 1 1 313.404 4.156 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)Cc2cccnc2)c1 ZINC001203760068 1048990415 /nfs/dbraw/zinc/99/04/15/1048990415.db2.gz BEDMYUGXGBGMOL-UHFFFAOYSA-N 1 1 313.404 4.156 20 30 DIEDMO C=CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCCCC1 ZINC001203850115 1049015449 /nfs/dbraw/zinc/01/54/49/1049015449.db2.gz MEOXARRAYIBNQY-UHFFFAOYSA-N 1 1 319.445 4.033 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000776800591 1049020319 /nfs/dbraw/zinc/02/03/19/1049020319.db2.gz RPMAQOAVIUNOTG-INIZCTEOSA-N 1 1 312.363 4.134 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001203903395 1049028574 /nfs/dbraw/zinc/02/85/74/1049028574.db2.gz DYBGUQSBQUEBFW-HXUWFJFHSA-N 1 1 306.409 4.294 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC001203962173 1049046518 /nfs/dbraw/zinc/04/65/18/1049046518.db2.gz HOPDUWGVVCYXKZ-GOSISDBHSA-N 1 1 320.436 4.391 20 30 DIEDMO C=CC[C@H](C)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC001192183612 1049057891 /nfs/dbraw/zinc/05/78/91/1049057891.db2.gz KQDCKYRPSPUOMI-IBGZPJMESA-N 1 1 312.501 4.472 20 30 DIEDMO C#CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204042016 1049068884 /nfs/dbraw/zinc/06/88/84/1049068884.db2.gz HIVPHIYARPFCHD-OAQYLSRUSA-N 1 1 300.405 4.291 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC000904517334 1049078768 /nfs/dbraw/zinc/07/87/68/1049078768.db2.gz CHZZRFDBAYUAOV-LBPRGKRZSA-N 1 1 311.307 4.112 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000484921389 1049079812 /nfs/dbraw/zinc/07/98/12/1049079812.db2.gz IDTBLAGBMLHDEZ-UHFFFAOYSA-N 1 1 303.406 4.055 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc([N+](=O)[O-])c1C ZINC000484921389 1049079826 /nfs/dbraw/zinc/07/98/26/1049079826.db2.gz IDTBLAGBMLHDEZ-UHFFFAOYSA-N 1 1 303.406 4.055 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc3ccccc32)no1 ZINC000904540833 1049085457 /nfs/dbraw/zinc/08/54/57/1049085457.db2.gz VRAKLANLMXULNH-QGZVFWFLSA-N 1 1 307.397 4.170 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3nc(C)sc3c2)no1 ZINC000904618123 1049105885 /nfs/dbraw/zinc/10/58/85/1049105885.db2.gz OZXMKVPXNPHVAD-LBPRGKRZSA-N 1 1 314.414 4.011 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3)C2)cc1 ZINC001204302093 1049134996 /nfs/dbraw/zinc/13/49/96/1049134996.db2.gz BCYVEGZFUOLDGU-LJQANCHMSA-N 1 1 323.436 4.250 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC)Cc2cccc(OC)c2)cc1 ZINC001204303484 1049135019 /nfs/dbraw/zinc/13/50/19/1049135019.db2.gz KLPZQYXCBACGCW-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO CCCCCCCCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC001204311502 1049138244 /nfs/dbraw/zinc/13/82/44/1049138244.db2.gz GWMNELAYZLGRPZ-LJQANCHMSA-N 1 1 319.489 4.240 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1c(F)cccc1Cl ZINC000775547963 1049138273 /nfs/dbraw/zinc/13/82/73/1049138273.db2.gz GWTHVUNUWPGWMK-GFCCVEGCSA-N 1 1 318.779 4.232 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870492 1049141372 /nfs/dbraw/zinc/14/13/72/1049141372.db2.gz VFHHYIGSLQHFQP-CVEARBPZSA-N 1 1 312.498 4.192 20 30 DIEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2c(C)noc2C)no1 ZINC000904732783 1049144011 /nfs/dbraw/zinc/14/40/11/1049144011.db2.gz DHPRTGIGRVESHR-CYBMUJFWSA-N 1 1 306.410 4.092 20 30 DIEDMO CCCCCCCOc1ccc(C[N@@H+](C)CC2COC2)cc1 ZINC001204366873 1049151114 /nfs/dbraw/zinc/15/11/14/1049151114.db2.gz ZEHRWZLWKYERRT-UHFFFAOYSA-N 1 1 305.462 4.114 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC[C@@]1(C)c1cccc(O)c1 ZINC001204372001 1049153507 /nfs/dbraw/zinc/15/35/07/1049153507.db2.gz ULCBXGQOABATDC-HRAATJIYSA-N 1 1 320.436 4.064 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001204368468 1049153906 /nfs/dbraw/zinc/15/39/06/1049153906.db2.gz FUEGWWKXAOKHTP-HXUWFJFHSA-N 1 1 319.489 4.240 20 30 DIEDMO C=CC[N@H+](Cc1c2cc(C)ccc2[nH]c1C(=O)OCC)C(C)C ZINC001204440950 1049162228 /nfs/dbraw/zinc/16/22/28/1049162228.db2.gz AXNTVIJVVJXSRY-UHFFFAOYSA-N 1 1 314.429 4.049 20 30 DIEDMO CCCCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001192976984 1049164289 /nfs/dbraw/zinc/16/42/89/1049164289.db2.gz SSMWSPSBNJLXLW-OAHLLOKOSA-N 1 1 308.432 4.305 20 30 DIEDMO C#CC[N@@H+](Cc1cc2ccc(C)cc2[nH]1)Cc1ccc(F)cc1 ZINC001204488089 1049174065 /nfs/dbraw/zinc/17/40/65/1049174065.db2.gz IUTVDFRPGBNAOL-UHFFFAOYSA-N 1 1 306.384 4.251 20 30 DIEDMO C#CC[N@H+](Cc1cc2ccc(C)cc2[nH]1)Cc1ccc(F)cc1 ZINC001204488089 1049174067 /nfs/dbraw/zinc/17/40/67/1049174067.db2.gz IUTVDFRPGBNAOL-UHFFFAOYSA-N 1 1 306.384 4.251 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(F)ccc1N(C)C ZINC001204496325 1049177044 /nfs/dbraw/zinc/17/70/44/1049177044.db2.gz 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N#C[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000905721528 1049242088 /nfs/dbraw/zinc/24/20/88/1049242088.db2.gz DQMCWUDBUVKITP-CYBMUJFWSA-N 1 1 306.365 4.027 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC001179997048 1049247076 /nfs/dbraw/zinc/24/70/76/1049247076.db2.gz BGIUAGPFALQFBI-UHFFFAOYSA-N 1 1 305.780 4.373 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC001179997048 1049247091 /nfs/dbraw/zinc/24/70/91/1049247091.db2.gz BGIUAGPFALQFBI-UHFFFAOYSA-N 1 1 305.780 4.373 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2csc(C#N)c2)o1 ZINC001179963141 1049251416 /nfs/dbraw/zinc/25/14/16/1049251416.db2.gz WHCYAKQGZYKTSV-WBMJQRKESA-N 1 1 300.427 4.494 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2csc(C#N)c2)o1 ZINC001179963141 1049251424 /nfs/dbraw/zinc/25/14/24/1049251424.db2.gz WHCYAKQGZYKTSV-WBMJQRKESA-N 1 1 300.427 4.494 20 30 DIEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2csc(C#N)c2)o1 ZINC001179963138 1049251470 /nfs/dbraw/zinc/25/14/70/1049251470.db2.gz 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302.780 4.025 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)cc1OC)[C@@H]1CCc2ccccc21 ZINC001180297499 1049340750 /nfs/dbraw/zinc/34/07/50/1049340750.db2.gz YXMIHPDHYAXMIT-HXUWFJFHSA-N 1 1 305.421 4.126 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCc3ccccc32)C2CC2)cc1 ZINC001180321835 1049342079 /nfs/dbraw/zinc/34/20/79/1049342079.db2.gz AZVPRGWSEWHFBK-IBGZPJMESA-N 1 1 302.421 4.253 20 30 DIEDMO N#Cc1cncc(C[N@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC001194260457 1049351815 /nfs/dbraw/zinc/35/18/15/1049351815.db2.gz DAIWZYRUFZXLON-UHFFFAOYSA-N 1 1 311.816 4.019 20 30 DIEDMO N#Cc1cncc(C[N@@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC001194260457 1049351824 /nfs/dbraw/zinc/35/18/24/1049351824.db2.gz DAIWZYRUFZXLON-UHFFFAOYSA-N 1 1 311.816 4.019 20 30 DIEDMO C=C(C)C[N@H+](CCOCC1CCCC1)Cc1cnn(C(C)C)c1 ZINC001194269967 1049353772 /nfs/dbraw/zinc/35/37/72/1049353772.db2.gz UEBQMKBKWTUTCD-UHFFFAOYSA-N 1 1 319.493 4.049 20 30 DIEDMO FC(F)(F)c1cccc(C[NH+]2CCC(S)CC2)c1Cl ZINC001205056041 1049358510 /nfs/dbraw/zinc/35/85/10/1049358510.db2.gz 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GCJJZZVPYHZSJE-IAGOWNOFSA-N 1 1 300.471 4.044 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000735309974 1050372605 /nfs/dbraw/zinc/37/26/05/1050372605.db2.gz XPNOBQKTKCEUCO-INIZCTEOSA-N 1 1 304.821 4.007 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000735490051 1050396722 /nfs/dbraw/zinc/39/67/22/1050396722.db2.gz ATEOASBGEYKUSV-SJORKVTESA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000785751715 1050411743 /nfs/dbraw/zinc/41/17/43/1050411743.db2.gz GCSIPAGIQVKJCP-CVEARBPZSA-N 1 1 310.482 4.110 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000593652714 1050431949 /nfs/dbraw/zinc/43/19/49/1050431949.db2.gz HMQJWLYRYHRJBK-UHFFFAOYSA-N 1 1 300.299 4.018 20 30 DIEDMO N#CC1(C[NH2+]Cc2cnc(-c3cccs3)s2)CCCC1 ZINC000593653015 1050432622 /nfs/dbraw/zinc/43/26/22/1050432622.db2.gz WPALHBNQQFRHPZ-UHFFFAOYSA-N 1 1 303.456 4.045 20 30 DIEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000786442194 1050480453 /nfs/dbraw/zinc/48/04/53/1050480453.db2.gz DEELGZVZQLPATE-UHFFFAOYSA-N 1 1 305.365 4.315 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000736623717 1050485707 /nfs/dbraw/zinc/48/57/07/1050485707.db2.gz PLDPPXAQKTXGAR-SFHVURJKSA-N 1 1 310.397 4.299 20 30 DIEDMO C=CCC[N@@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000786579341 1050498062 /nfs/dbraw/zinc/49/80/62/1050498062.db2.gz RUYLVOFJGWHCBN-UHFFFAOYSA-N 1 1 321.827 4.040 20 30 DIEDMO C=CCC[N@H+](C)Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000786579341 1050498070 /nfs/dbraw/zinc/49/80/70/1050498070.db2.gz RUYLVOFJGWHCBN-UHFFFAOYSA-N 1 1 321.827 4.040 20 30 DIEDMO C[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)CC(C)(C)C#N ZINC000574710537 1050509975 /nfs/dbraw/zinc/50/99/75/1050509975.db2.gz BWZNGUMONZTVHP-UHFFFAOYSA-N 1 1 318.424 4.007 20 30 DIEDMO C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)CC(C)(C)C#N ZINC000574710537 1050509982 /nfs/dbraw/zinc/50/99/82/1050509982.db2.gz BWZNGUMONZTVHP-UHFFFAOYSA-N 1 1 318.424 4.007 20 30 DIEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000738339832 1050530929 /nfs/dbraw/zinc/53/09/29/1050530929.db2.gz KFUXFGSEGPLYSM-HNNXBMFYSA-N 1 1 324.399 4.086 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](C)c1cccnc1 ZINC000594606885 1050540371 /nfs/dbraw/zinc/54/03/71/1050540371.db2.gz MQMFQYHMGYDZPQ-MRXNPFEDSA-N 1 1 307.441 4.466 20 30 DIEDMO C#CC[N@H+](Cc1scnc1C1CC1)[C@H]1CCc2ccccc21 ZINC000787039165 1050546146 /nfs/dbraw/zinc/54/61/46/1050546146.db2.gz HJUPVZWGLVIHRJ-KRWDZBQOSA-N 1 1 308.450 4.143 20 30 DIEDMO C#CC[N@@H+](Cc1scnc1C1CC1)[C@H]1CCc2ccccc21 ZINC000787039165 1050546163 /nfs/dbraw/zinc/54/61/63/1050546163.db2.gz HJUPVZWGLVIHRJ-KRWDZBQOSA-N 1 1 308.450 4.143 20 30 DIEDMO C=C(Br)C[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000746659432 1050563756 /nfs/dbraw/zinc/56/37/56/1050563756.db2.gz QAXBKLDGPLWNQF-UHFFFAOYSA-N 1 1 312.251 4.062 20 30 DIEDMO C=C(Br)C[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000746659432 1050563767 /nfs/dbraw/zinc/56/37/67/1050563767.db2.gz 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C#Cc1ccc(C[N@@H+](C)[C@H](CCC)C(=O)c2ccccc2)cc1 ZINC001144578950 1050619872 /nfs/dbraw/zinc/61/98/72/1050619872.db2.gz TZKIICHMUZQQFZ-HXUWFJFHSA-N 1 1 305.421 4.151 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@H](CCC)C(=O)c2ccccc2)cc1 ZINC001144578950 1050619881 /nfs/dbraw/zinc/61/98/81/1050619881.db2.gz TZKIICHMUZQQFZ-HXUWFJFHSA-N 1 1 305.421 4.151 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595335403 1050621009 /nfs/dbraw/zinc/62/10/09/1050621009.db2.gz WXEWNFSDCVYFKS-AWEZNQCLSA-N 1 1 313.470 4.121 20 30 DIEDMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000595332375 1050621861 /nfs/dbraw/zinc/62/18/61/1050621861.db2.gz CVSKEWYIZRVPJG-DJIMGWMZSA-N 1 1 306.400 4.440 20 30 DIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170078125 1050621921 /nfs/dbraw/zinc/62/19/21/1050621921.db2.gz QAIVSZKEIMGYAG-AZUAARDMSA-N 1 1 320.521 4.234 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccc(F)cc2)cc1 ZINC001144576165 1050622372 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C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@H+](C)CCC(C)(C)C#N ZINC000595519259 1050637665 /nfs/dbraw/zinc/63/76/65/1050637665.db2.gz WGLSYEDMKVTNKY-LLVKDONJSA-N 1 1 304.825 4.149 20 30 DIEDMO C[C@H](c1nc2cc(Cl)ccc2[nH]1)[N@@H+](C)CCC(C)(C)C#N ZINC000595519259 1050637672 /nfs/dbraw/zinc/63/76/72/1050637672.db2.gz WGLSYEDMKVTNKY-LLVKDONJSA-N 1 1 304.825 4.149 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001171204439 1050646399 /nfs/dbraw/zinc/64/63/99/1050646399.db2.gz XWJOYYKOLNMKOS-QRWLVFNGSA-N 1 1 308.400 4.465 20 30 DIEDMO C=C(Cl)C[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000749203675 1050649122 /nfs/dbraw/zinc/64/91/22/1050649122.db2.gz MUHGEQBLSBUCGT-UHFFFAOYSA-N 1 1 315.844 4.213 20 30 DIEDMO C=C(Cl)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000749203675 1050649129 /nfs/dbraw/zinc/64/91/29/1050649129.db2.gz MUHGEQBLSBUCGT-UHFFFAOYSA-N 1 1 315.844 4.213 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](CCCOc2ccc3ccccc3c2)C1 ZINC000595616602 1050653459 /nfs/dbraw/zinc/65/34/59/1050653459.db2.gz 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COC(=O)c1ccc([C@H]2CCCC[N@H+]2[C@@H](C)CCCC#N)cc1 ZINC001172501593 1051420336 /nfs/dbraw/zinc/42/03/36/1051420336.db2.gz DSPRKTRHHRQUSG-MAUKXSAKSA-N 1 1 314.429 4.083 20 30 DIEDMO C=CC[N@@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C(C)C ZINC000746449894 1051421213 /nfs/dbraw/zinc/42/12/13/1051421213.db2.gz KALVIPJRWGOCBF-UHFFFAOYSA-N 1 1 300.402 4.137 20 30 DIEDMO C=CC[N@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C(C)C ZINC000746449894 1051421220 /nfs/dbraw/zinc/42/12/20/1051421220.db2.gz KALVIPJRWGOCBF-UHFFFAOYSA-N 1 1 300.402 4.137 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503668 1051422192 /nfs/dbraw/zinc/42/21/92/1051422192.db2.gz ZNGGJKMIGJQJEM-IRXDYDNUSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172503669 1051422777 /nfs/dbraw/zinc/42/27/77/1051422777.db2.gz ZNGGJKMIGJQJEM-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCC[C@H](CCC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172508349 1051424471 /nfs/dbraw/zinc/42/44/71/1051424471.db2.gz 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C=CCOC1CCC([N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC001173327176 1051695624 /nfs/dbraw/zinc/69/56/24/1051695624.db2.gz IGJGHJMMFCVORU-UHFFFAOYSA-N 1 1 307.865 4.328 20 30 DIEDMO N#CCC1CCC([N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC001173331001 1051696996 /nfs/dbraw/zinc/69/69/96/1051696996.db2.gz JIEZIYAOASVEAN-CNBHCMJISA-N 1 1 319.452 4.366 20 30 DIEDMO CC[N@@H+]([C@H](C)Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173330928 1051697143 /nfs/dbraw/zinc/69/71/43/1051697143.db2.gz HWSDVDUDUCIAPC-LRYGQEGESA-N 1 1 314.473 4.421 20 30 DIEDMO N#CCC1CCC([N@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173336867 1051697693 /nfs/dbraw/zinc/69/76/93/1051697693.db2.gz PIVDIWXZRJYFLP-IUPXNIOVSA-N 1 1 318.848 4.186 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCOC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC001173336867 1051697695 /nfs/dbraw/zinc/69/76/95/1051697695.db2.gz PIVDIWXZRJYFLP-IUPXNIOVSA-N 1 1 318.848 4.186 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1 ZINC000805914978 1051698961 /nfs/dbraw/zinc/69/89/61/1051698961.db2.gz 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30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242580570 1057413219 /nfs/dbraw/zinc/41/32/19/1057413219.db2.gz IKKZCVZMEDNHEM-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO C[C@H]1CC(=O)C=C(c2ccc3[nH]cc(C[C@H]4CCC[N@H+]4C)c3c2)C1 ZINC001242744913 1057465651 /nfs/dbraw/zinc/46/56/51/1057465651.db2.gz IRNBVKJZCZELPW-RDTXWAMCSA-N 1 1 322.452 4.187 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C#N)c(C)c3)c(C)c2)CC1 ZINC001242766403 1057467813 /nfs/dbraw/zinc/46/78/13/1057467813.db2.gz BZXUQZZSKKORQC-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO Oc1ccc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)cc1 ZINC000676632368 1057490045 /nfs/dbraw/zinc/49/00/45/1057490045.db2.gz QKOWCRMZEBMBHW-IBGZPJMESA-N 1 1 311.812 4.234 20 30 DIEDMO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cc(Cl)cc2c1OCC2 ZINC000922986436 1057520177 /nfs/dbraw/zinc/52/01/77/1057520177.db2.gz AFVUSDODZYELKP-JTQLQIEISA-N 1 1 318.829 4.059 20 30 DIEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266733 1057587032 /nfs/dbraw/zinc/58/70/32/1057587032.db2.gz FSLWAPWPZUIJLJ-RBUKOAKNSA-N 1 1 314.473 4.416 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C1CC1 ZINC000611257759 1057587230 /nfs/dbraw/zinc/58/72/30/1057587230.db2.gz IKDUNQNJARIFKB-UHFFFAOYSA-N 1 1 320.436 4.084 20 30 DIEDMO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387534 1057594793 /nfs/dbraw/zinc/59/47/93/1057594793.db2.gz BYCMZTFVBVNLKL-GFCCVEGCSA-N 1 1 323.421 4.434 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000611378457 1057595115 /nfs/dbraw/zinc/59/51/15/1057595115.db2.gz QAEYTXZMHDFAJR-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000611392926 1057595304 /nfs/dbraw/zinc/59/53/04/1057595304.db2.gz VWOYBTUDGCKFBZ-WBMJQRKESA-N 1 1 311.454 4.305 20 30 DIEDMO CC(C)[NH+](CCCN[C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000611393266 1057595613 /nfs/dbraw/zinc/59/56/13/1057595613.db2.gz AILSRVKEGKKZLR-HXUWFJFHSA-N 1 1 313.489 4.034 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(C2CC2)cs1 ZINC000611394425 1057596245 /nfs/dbraw/zinc/59/62/45/1057596245.db2.gz IWYXCZSIBTYGQQ-MRXNPFEDSA-N 1 1 309.438 4.059 20 30 DIEDMO CC(C)c1csc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000611393767 1057596265 /nfs/dbraw/zinc/59/62/65/1057596265.db2.gz WGIKFQJDUFSFCI-MRXNPFEDSA-N 1 1 311.454 4.305 20 30 DIEDMO Cc1nc2ccccc2nc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000611406993 1057598079 /nfs/dbraw/zinc/59/80/79/1057598079.db2.gz OMBAXBAXMVZWEF-QGZVFWFLSA-N 1 1 316.408 4.073 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(C)c2)cc1 ZINC001243193198 1057599402 /nfs/dbraw/zinc/59/94/02/1057599402.db2.gz OASZFTUSHZKIIV-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000611483526 1057604150 /nfs/dbraw/zinc/60/41/50/1057604150.db2.gz IKNNJFHMEVWRAZ-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685478 1057663738 /nfs/dbraw/zinc/66/37/38/1057663738.db2.gz ORWMPZUKZGBERL-AWEZNQCLSA-N 1 1 324.424 4.209 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C3(C#N)CC3)cc2)nc1 ZINC001243420481 1057678598 /nfs/dbraw/zinc/67/85/98/1057678598.db2.gz LNARPLKDZUYPPQ-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO C=C1CC[NH+](Cc2c(-c3ccccc3)nc3sccn23)CC1 ZINC000731033146 1057733226 /nfs/dbraw/zinc/73/32/26/1057733226.db2.gz VFAVTEACWJFOMJ-UHFFFAOYSA-N 1 1 309.438 4.215 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731210442 1057737036 /nfs/dbraw/zinc/73/70/36/1057737036.db2.gz NKSOWZRPJYLBAI-AWEZNQCLSA-N 1 1 314.816 4.435 20 30 DIEDMO CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731210607 1057737448 /nfs/dbraw/zinc/73/74/48/1057737448.db2.gz VKNFTWFBPQHVPW-QGZVFWFLSA-N 1 1 308.425 4.390 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000731211652 1057738106 /nfs/dbraw/zinc/73/81/06/1057738106.db2.gz SPAMCGBAQRZOHD-FQEVSTJZSA-N 1 1 306.409 4.235 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCc2ccccc21 ZINC000731212194 1057738119 /nfs/dbraw/zinc/73/81/19/1057738119.db2.gz YINIXFUUDDXXMD-OAQYLSRUSA-N 1 1 320.436 4.488 20 30 DIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000733313563 1057811518 /nfs/dbraw/zinc/81/15/18/1057811518.db2.gz WVSRISRNAGBEJU-OAQYLSRUSA-N 1 1 320.436 4.143 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnc3nccnc3c2)cc1 ZINC001244043081 1057846855 /nfs/dbraw/zinc/84/68/55/1057846855.db2.gz LJMJUKBVBMLOSC-IBGZPJMESA-N 1 1 316.408 4.015 20 30 DIEDMO C[N@H+]1CC[C@H](c2ccc(-c3cccc(C4(C#N)CC4)c3)cc2)C1 ZINC001244076327 1057859855 /nfs/dbraw/zinc/85/98/55/1057859855.db2.gz OYQRTBKISXJBLQ-IBGZPJMESA-N 1 1 302.421 4.328 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244116878 1057873811 /nfs/dbraw/zinc/87/38/11/1057873811.db2.gz UPWQLNRDYGDISJ-HXUWFJFHSA-N 1 1 303.409 4.130 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(CO)cc(OC)c2)cc1 ZINC001244841704 1058057063 /nfs/dbraw/zinc/05/70/63/1058057063.db2.gz IAMUAZWSTAFREF-NRFANRHFSA-N 1 1 323.436 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(F)c(OC)c2)cc1 ZINC001245079424 1058107728 /nfs/dbraw/zinc/10/77/28/1058107728.db2.gz DZIVINBKJUSANR-QGZVFWFLSA-N 1 1 312.388 4.219 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001556564367 1058612171 /nfs/dbraw/zinc/61/21/71/1058612171.db2.gz MDERIRZTXWGXQF-ROUUACIJSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCCC[C@H](C)[NH2+]Cc1noc2c1CNCC2 ZINC001246132032 1058689997 /nfs/dbraw/zinc/68/99/97/1058689997.db2.gz CHCVCHARPCKJJQ-INIZCTEOSA-N 1 1 321.509 4.329 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001557975390 1058825400 /nfs/dbraw/zinc/82/54/00/1058825400.db2.gz CGHMPHATPLZFBL-FUTHQCHMSA-N 1 1 320.521 4.236 20 30 DIEDMO C=CC[C@@H](N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492678 1058969364 /nfs/dbraw/zinc/96/93/64/1058969364.db2.gz XLJDFKIGJVNRQK-YPAWHYETSA-N 1 1 320.480 4.257 20 30 DIEDMO C=CC[C@@H](N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492677 1058972352 /nfs/dbraw/zinc/97/23/52/1058972352.db2.gz XLJDFKIGJVNRQK-FDFHNCONSA-N 1 1 320.480 4.257 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CNc5ccccc5[C@H]4C3)C[C@H](C1)C2 ZINC001246634172 1059036668 /nfs/dbraw/zinc/03/66/68/1059036668.db2.gz PJAKITRUJFVBHF-KWADOOBBSA-N 1 1 308.469 4.262 20 30 DIEDMO C[C@]1(CNc2cc(F)ccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001559180072 1059063103 /nfs/dbraw/zinc/06/31/03/1059063103.db2.gz SQUZGFKWNRYIBG-HXUWFJFHSA-N 1 1 323.415 4.021 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246838027 1059120241 /nfs/dbraw/zinc/12/02/41/1059120241.db2.gz ACJBVCNSQCKJSL-NHCUHLMSSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838027 1059120268 /nfs/dbraw/zinc/12/02/68/1059120268.db2.gz ACJBVCNSQCKJSL-NHCUHLMSSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246838030 1059120495 /nfs/dbraw/zinc/12/04/95/1059120495.db2.gz ACJBVCNSQCKJSL-SFTDATJTSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838030 1059120517 /nfs/dbraw/zinc/12/05/17/1059120517.db2.gz ACJBVCNSQCKJSL-SFTDATJTSA-N 1 1 306.453 4.168 20 30 DIEDMO C[NH2+]CC[C@@H](C)N(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888034 1059155014 /nfs/dbraw/zinc/15/50/14/1059155014.db2.gz QIRSZTLCXJZBJE-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO CCCCCCC[C@H](CC)N1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933476 1059179965 /nfs/dbraw/zinc/17/99/65/1059179965.db2.gz IVXKQHSAYUXHME-SOUVJXGZSA-N 1 1 308.432 4.337 20 30 DIEDMO CCC[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC001559484286 1059257960 /nfs/dbraw/zinc/25/79/60/1059257960.db2.gz NXVHJQJXUQDAIP-UHFFFAOYSA-N 1 1 322.452 4.377 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H]1CCc2ccccc21 ZINC001559498898 1059281847 /nfs/dbraw/zinc/28/18/47/1059281847.db2.gz BZFDRZDNJRLLCC-QFIPXVFZSA-N 1 1 318.464 4.184 20 30 DIEDMO CCC[N@@H+](CCOc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC001559503173 1059287396 /nfs/dbraw/zinc/28/73/96/1059287396.db2.gz XEQFFKXECNOLSZ-FQEVSTJZSA-N 1 1 320.436 4.337 20 30 DIEDMO CC#CC[N@@H+](Cc1ccccc1)[C@@H](C)Cc1ccccc1OC ZINC001559516922 1059311960 /nfs/dbraw/zinc/31/19/60/1059311960.db2.gz GFJFCONYEXREMR-SFHVURJKSA-N 1 1 307.437 4.152 20 30 DIEDMO C=CC[N@H+](CCC1CC1)Cc1cc(Br)ccc1F ZINC001559517963 1059315244 /nfs/dbraw/zinc/31/52/44/1059315244.db2.gz FVSIXSUVRDPRCL-UHFFFAOYSA-N 1 1 312.226 4.376 20 30 DIEDMO C=C(Cl)C[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1 ZINC001559522489 1059321237 /nfs/dbraw/zinc/32/12/37/1059321237.db2.gz KFFWKGGSICNMEP-UHFFFAOYSA-N 1 1 315.844 4.492 20 30 DIEDMO C=CC[N@H+](Cc1cccc2nsnc21)CC1CCCCC1 ZINC001559538245 1059338578 /nfs/dbraw/zinc/33/85/78/1059338578.db2.gz SXAHZEFSFOVSCK-UHFFFAOYSA-N 1 1 301.459 4.260 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568408 1059397322 /nfs/dbraw/zinc/39/73/22/1059397322.db2.gz WATKBMRIUSRQJG-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568408 1059397341 /nfs/dbraw/zinc/39/73/41/1059397341.db2.gz WATKBMRIUSRQJG-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568409 1059399824 /nfs/dbraw/zinc/39/98/24/1059399824.db2.gz WATKBMRIUSRQJG-KDOFPFPSSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568409 1059399841 /nfs/dbraw/zinc/39/98/41/1059399841.db2.gz WATKBMRIUSRQJG-KDOFPFPSSA-N 1 1 309.413 4.082 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC001559570705 1059402733 /nfs/dbraw/zinc/40/27/33/1059402733.db2.gz ZVDAUXJTEHAFBJ-KBXCAEBGSA-N 1 1 324.424 4.442 20 30 DIEDMO N#CCC1(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)CC1 ZINC001559635019 1059459883 /nfs/dbraw/zinc/45/98/83/1059459883.db2.gz IAPWETQEZHTXEL-UHFFFAOYSA-N 1 1 304.384 4.403 20 30 DIEDMO N#Cc1cnccc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC001559639597 1059465496 /nfs/dbraw/zinc/46/54/96/1059465496.db2.gz SVZHZFNBYWKJLO-NRFANRHFSA-N 1 1 313.404 4.027 20 30 DIEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC001559648821 1059476108 /nfs/dbraw/zinc/47/61/08/1059476108.db2.gz QTUFKAQBLHMRQP-HXUWFJFHSA-N 1 1 320.436 4.391 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC(C)(C)C1 ZINC001559675657 1059501556 /nfs/dbraw/zinc/50/15/56/1059501556.db2.gz ODJWHSZUYLSVCQ-GFCCVEGCSA-N 1 1 321.262 4.189 20 30 DIEDMO CC#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC001559687965 1059518060 /nfs/dbraw/zinc/51/80/60/1059518060.db2.gz CHQLQWMUKVCLDG-SJLPKXTDSA-N 1 1 315.457 4.108 20 30 DIEDMO C=CCCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001559700128 1059528796 /nfs/dbraw/zinc/52/87/96/1059528796.db2.gz MGNLZBOTXWFJRU-KRWDZBQOSA-N 1 1 310.445 4.007 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCc3cccc(F)c3)CC2)cc1 ZINC001559714770 1059541785 /nfs/dbraw/zinc/54/17/85/1059541785.db2.gz HGZPNDQUPCIQBW-UHFFFAOYSA-N 1 1 320.411 4.419 20 30 DIEDMO C[C@@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717723 1059548143 /nfs/dbraw/zinc/54/81/43/1059548143.db2.gz WJFHPEUITKMJSE-OXJNMPFZSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717725 1059548194 /nfs/dbraw/zinc/54/81/94/1059548194.db2.gz WJFHPEUITKMJSE-UZLBHIALSA-N 1 1 312.457 4.148 20 30 DIEDMO C=C(C)CC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001559722815 1059549398 /nfs/dbraw/zinc/54/93/98/1059549398.db2.gz DGNUCFCJEXVGRB-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=C(C)CC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001559722815 1059549418 /nfs/dbraw/zinc/54/94/18/1059549418.db2.gz DGNUCFCJEXVGRB-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO CC#CC[NH2+][C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC001559734546 1059565661 /nfs/dbraw/zinc/56/56/61/1059565661.db2.gz QQZQIRRBGYVZIR-LBPRGKRZSA-N 1 1 309.253 4.312 20 30 DIEDMO CCCCCCCCOc1ccc(-c2noc([C@H](C)[NH3+])n2)cc1 ZINC001247594686 1059567570 /nfs/dbraw/zinc/56/75/70/1059567570.db2.gz JCIHGBXMMGWKNX-AWEZNQCLSA-N 1 1 317.433 4.496 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001247622123 1059572399 /nfs/dbraw/zinc/57/23/99/1059572399.db2.gz GHMHKDHWMWVHRM-MRXNPFEDSA-N 1 1 321.380 4.495 20 30 DIEDMO Cc1cccc([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001559743995 1059579013 /nfs/dbraw/zinc/57/90/13/1059579013.db2.gz YTRLKJFRACVRQU-IBGZPJMESA-N 1 1 309.840 4.489 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccccc2OCC)no1 ZINC001247637661 1059581074 /nfs/dbraw/zinc/58/10/74/1059581074.db2.gz ABWQSFYBGPUKET-HNNXBMFYSA-N 1 1 315.417 4.272 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2C)no1 ZINC001247638771 1059583156 /nfs/dbraw/zinc/58/31/56/1059583156.db2.gz MWTXGHLTKLAHFG-INIZCTEOSA-N 1 1 315.417 4.190 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001247640526 1059586041 /nfs/dbraw/zinc/58/60/41/1059586041.db2.gz SXJBTUYOAHFEKF-AWEZNQCLSA-N 1 1 321.371 4.460 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3ccncc3c2)no1 ZINC001247640215 1059587512 /nfs/dbraw/zinc/58/75/12/1059587512.db2.gz PVLWIMIEGKMEQM-KRWDZBQOSA-N 1 1 322.412 4.421 20 30 DIEDMO Cc1ccccc1[C@]1(F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC001559787669 1059622647 /nfs/dbraw/zinc/62/26/47/1059622647.db2.gz XQICIPUGFYHDIS-JXFKEZNVSA-N 1 1 308.400 4.498 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC001559796128 1059631716 /nfs/dbraw/zinc/63/17/16/1059631716.db2.gz ZJHHQSPUIPUJFM-KRWDZBQOSA-N 1 1 317.539 4.026 20 30 DIEDMO C=CC[C@H]1[N@H+](CCC(=O)Nc2ccccc2)CCCC1(C)C ZINC001559797219 1059631426 /nfs/dbraw/zinc/63/14/26/1059631426.db2.gz KMPAIZVFHMKLPO-QGZVFWFLSA-N 1 1 300.446 4.082 20 30 DIEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001559797336 1059631852 /nfs/dbraw/zinc/63/18/52/1059631852.db2.gz NKNCYYQPRBEKNF-LBPRGKRZSA-N 1 1 302.215 4.056 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CCCC1(C)C ZINC001559796983 1059633789 /nfs/dbraw/zinc/63/37/89/1059633789.db2.gz CODPXQCKAPAPAH-KRWDZBQOSA-N 1 1 318.417 4.170 20 30 DIEDMO C=C(C)C[N@H+](CCc1cccc(F)c1)Cc1cnn(C(C)C)c1 ZINC001559829074 1059660808 /nfs/dbraw/zinc/66/08/08/1059660808.db2.gz KMVOMOVZVPPVCS-UHFFFAOYSA-N 1 1 315.436 4.224 20 30 DIEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001559860370 1059679837 /nfs/dbraw/zinc/67/98/37/1059679837.db2.gz ZOGPSIQTKOZZSG-XJKSGUPXSA-N 1 1 313.363 4.433 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)cc1 ZINC001559870923 1059689339 /nfs/dbraw/zinc/68/93/39/1059689339.db2.gz KUCRUYBKIBXRNB-FQEVSTJZSA-N 1 1 304.437 4.419 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC001559879779 1059699260 /nfs/dbraw/zinc/69/92/60/1059699260.db2.gz QOPWOMYVFPOKCY-RHSMWYFYSA-N 1 1 300.446 4.213 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911569 1059729230 /nfs/dbraw/zinc/72/92/30/1059729230.db2.gz MOOSGWYLLNUEMA-UXHICEINSA-N 1 1 305.425 4.111 20 30 DIEDMO CCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248157791 1059741234 /nfs/dbraw/zinc/74/12/34/1059741234.db2.gz WKUIHZUXWBIRPE-HNNXBMFYSA-N 1 1 312.417 4.096 20 30 DIEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001559934532 1059747995 /nfs/dbraw/zinc/74/79/95/1059747995.db2.gz NIDSKDCFWQRXHN-HXUWFJFHSA-N 1 1 308.400 4.295 20 30 DIEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001559934531 1059749599 /nfs/dbraw/zinc/74/95/99/1059749599.db2.gz NIDSKDCFWQRXHN-FQEVSTJZSA-N 1 1 308.400 4.295 20 30 DIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001559938924 1059752511 /nfs/dbraw/zinc/75/25/11/1059752511.db2.gz BEDPLNHOUKRPLM-LLVKDONJSA-N 1 1 300.204 4.368 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2F)C1 ZINC001559938924 1059752533 /nfs/dbraw/zinc/75/25/33/1059752533.db2.gz BEDPLNHOUKRPLM-LLVKDONJSA-N 1 1 300.204 4.368 20 30 DIEDMO C=CCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001559962496 1059770044 /nfs/dbraw/zinc/77/00/44/1059770044.db2.gz QLEYVEVWEYBSIF-OTWHNJEPSA-N 1 1 300.490 4.326 20 30 DIEDMO N#Cc1ccc(CC[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)cc1 ZINC001559965802 1059771355 /nfs/dbraw/zinc/77/13/55/1059771355.db2.gz LGGSQESDAFZYRS-OAQYLSRUSA-N 1 1 314.432 4.494 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC001559982978 1059787922 /nfs/dbraw/zinc/78/79/22/1059787922.db2.gz CDDIIMOUFBSJGZ-NSHDSACASA-N 1 1 300.265 4.299 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983059 1059789327 /nfs/dbraw/zinc/78/93/27/1059789327.db2.gz FPXCQRXIJFNHTN-IAGOWNOFSA-N 1 1 322.452 4.455 20 30 DIEDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000984 1059805099 /nfs/dbraw/zinc/80/50/99/1059805099.db2.gz SAYUMJHWUJCUGS-HRAATJIYSA-N 1 1 320.436 4.291 20 30 DIEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001560006058 1059813109 /nfs/dbraw/zinc/81/31/09/1059813109.db2.gz SSLKKQXWXDOCDL-UHFFFAOYSA-N 1 1 315.244 4.218 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@@H+](CCC1CC1)CC1CC1 ZINC001560021930 1059833420 /nfs/dbraw/zinc/83/34/20/1059833420.db2.gz ZHBHJTGNVOWGAT-UHFFFAOYSA-N 1 1 318.848 4.254 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cn2ccnc12 ZINC001248451962 1059841397 /nfs/dbraw/zinc/84/13/97/1059841397.db2.gz RKRBNFMIWUYKCE-UHFFFAOYSA-N 1 1 311.816 4.176 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cn2ccnc12 ZINC001248451962 1059841425 /nfs/dbraw/zinc/84/14/25/1059841425.db2.gz RKRBNFMIWUYKCE-UHFFFAOYSA-N 1 1 311.816 4.176 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)c1cccc(C#N)c1 ZINC001560031298 1059847417 /nfs/dbraw/zinc/84/74/17/1059847417.db2.gz UVVJCSAJWXAUSR-MRXNPFEDSA-N 1 1 324.424 4.029 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001560042511 1059857099 /nfs/dbraw/zinc/85/70/99/1059857099.db2.gz QIFYOUHMCSWJEP-QGZVFWFLSA-N 1 1 303.421 4.207 20 30 DIEDMO CCCCCCCC[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC001560041161 1059859092 /nfs/dbraw/zinc/85/90/92/1059859092.db2.gz IUFRAAFWPZGMSS-OAHLLOKOSA-N 1 1 300.487 4.192 20 30 DIEDMO C[C@H](C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001560057852 1059866113 /nfs/dbraw/zinc/86/61/13/1059866113.db2.gz FARHUZWMMAENFK-CQSZACIVSA-N 1 1 315.417 4.115 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC001560057852 1059866143 /nfs/dbraw/zinc/86/61/43/1059866143.db2.gz FARHUZWMMAENFK-CQSZACIVSA-N 1 1 315.417 4.115 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2CCCCCC2)C1 ZINC001560056810 1059867234 /nfs/dbraw/zinc/86/72/34/1059867234.db2.gz WANFBCFLHACDOE-FQEVSTJZSA-N 1 1 311.473 4.299 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2CCCCCC2)C1 ZINC001560056810 1059867250 /nfs/dbraw/zinc/86/72/50/1059867250.db2.gz WANFBCFLHACDOE-FQEVSTJZSA-N 1 1 311.473 4.299 20 30 DIEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CCCCC1 ZINC001560054595 1059867303 /nfs/dbraw/zinc/86/73/03/1059867303.db2.gz DPXIJEBBYNWMER-RTBURBONSA-N 1 1 312.457 4.049 20 30 DIEDMO N#CC1(CC[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CCCCC1 ZINC001560054593 1059867605 /nfs/dbraw/zinc/86/76/05/1059867605.db2.gz DPXIJEBBYNWMER-OALUTQOASA-N 1 1 312.457 4.049 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001560053073 1059868240 /nfs/dbraw/zinc/86/82/40/1059868240.db2.gz AWUYWMHLANOYGU-HZPDHXFCSA-N 1 1 312.498 4.334 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001560053070 1059868897 /nfs/dbraw/zinc/86/88/97/1059868897.db2.gz AWUYWMHLANOYGU-CVEARBPZSA-N 1 1 312.498 4.334 20 30 DIEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC001560079913 1059892773 /nfs/dbraw/zinc/89/27/73/1059892773.db2.gz LXQDGWDNSNRFSW-IBGZPJMESA-N 1 1 317.860 4.115 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001560084731 1059900843 /nfs/dbraw/zinc/90/08/43/1059900843.db2.gz ZGQCMDHINIVGME-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO CC(C)(C)[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560101127 1059910631 /nfs/dbraw/zinc/91/06/31/1059910631.db2.gz CKWNZDIHTBBENV-HNNXBMFYSA-N 1 1 308.878 4.175 20 30 DIEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001560101127 1059910651 /nfs/dbraw/zinc/91/06/51/1059910651.db2.gz CKWNZDIHTBBENV-HNNXBMFYSA-N 1 1 308.878 4.175 20 30 DIEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560138740 1059938597 /nfs/dbraw/zinc/93/85/97/1059938597.db2.gz PTCYLVUJVXNWSG-OAHLLOKOSA-N 1 1 312.498 4.192 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001560143344 1059946277 /nfs/dbraw/zinc/94/62/77/1059946277.db2.gz YFWJZKBHNQIKMZ-MRXNPFEDSA-N 1 1 312.498 4.336 20 30 DIEDMO C#CC[N@H+](CCCCOc1cccc(C(F)(F)F)c1)C(C)C ZINC001560164397 1059955392 /nfs/dbraw/zinc/95/53/92/1059955392.db2.gz VLLJFDXYEZTYOX-UHFFFAOYSA-N 1 1 313.363 4.208 20 30 DIEDMO C#CC[N@H+](CC/C=C/c1ccc(Br)cc1)C(C)C ZINC001560164602 1059955537 /nfs/dbraw/zinc/95/55/37/1059955537.db2.gz FAIFOVFGHPZOKL-FNORWQNLSA-N 1 1 306.247 4.196 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001248750992 1059964491 /nfs/dbraw/zinc/96/44/91/1059964491.db2.gz FNTGQXYDNVPLID-NRFANRHFSA-N 1 1 320.436 4.164 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001248751309 1059965214 /nfs/dbraw/zinc/96/52/14/1059965214.db2.gz RWMXYNAJFRESNU-FQEVSTJZSA-N 1 1 305.425 4.243 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001248752295 1059966624 /nfs/dbraw/zinc/96/66/24/1059966624.db2.gz GJDPUOGQYVOQRB-UHFFFAOYSA-N 1 1 321.468 4.209 20 30 DIEDMO C[N@@H+](CCOc1cccc2ccccc21)Cc1cc(C#N)cs1 ZINC001560180529 1059967347 /nfs/dbraw/zinc/96/73/47/1059967347.db2.gz CGBHICHQJLSXJH-UHFFFAOYSA-N 1 1 322.433 4.284 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001248752642 1059968069 /nfs/dbraw/zinc/96/80/69/1059968069.db2.gz UVKSRFSANFUUKF-FQEVSTJZSA-N 1 1 320.436 4.119 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC001560186114 1059972415 /nfs/dbraw/zinc/97/24/15/1059972415.db2.gz ITXFIILRCILUOW-CYBMUJFWSA-N 1 1 315.383 4.255 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001560205883 1059984997 /nfs/dbraw/zinc/98/49/97/1059984997.db2.gz JQMULZREGSTFCG-SOLBZPMBSA-N 1 1 322.452 4.056 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cnc2cc(Br)ccc2c1 ZINC001248868208 1060026021 /nfs/dbraw/zinc/02/60/21/1060026021.db2.gz WWRBZEIIQPXGJB-UHFFFAOYSA-N 1 1 319.246 4.395 20 30 DIEDMO C=CCC[N@H+](Cc1nc2cc(OC)ccc2[nH]1)Cc1ccccc1 ZINC001249414223 1060241724 /nfs/dbraw/zinc/24/17/24/1060241724.db2.gz XCZGPTUPANVNLV-UHFFFAOYSA-N 1 1 321.424 4.150 20 30 DIEDMO N#Cc1ccc2cc(C[N@@H+]3CCCC4(CC(F)C4)CC3)[nH]c2c1 ZINC001249429622 1060245394 /nfs/dbraw/zinc/24/53/94/1060245394.db2.gz JQGLAFLYBRERAC-UHFFFAOYSA-N 1 1 311.404 4.144 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429502 1060246534 /nfs/dbraw/zinc/24/65/34/1060246534.db2.gz DTCKHEWSCUZGIM-AWEZNQCLSA-N 1 1 319.408 4.241 20 30 DIEDMO N#Cc1ccc2cc(C[N@H+]3CCC[C@H]3c3ccccc3)[nH]c2c1 ZINC001249429039 1060247281 /nfs/dbraw/zinc/24/72/81/1060247281.db2.gz KTXFHHSXFPLQTP-FQEVSTJZSA-N 1 1 301.393 4.377 20 30 DIEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429617 1060247829 /nfs/dbraw/zinc/24/78/29/1060247829.db2.gz JLCIJRVTZXHJFJ-VMPITWQZSA-N 1 1 301.393 4.185 20 30 DIEDMO CN(C)c1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001249442531 1060252456 /nfs/dbraw/zinc/25/24/56/1060252456.db2.gz SFNCNVGRDNFEPE-GOSISDBHSA-N 1 1 319.452 4.155 20 30 DIEDMO CN(C)c1ccc(-c2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)cc1 ZINC001249442531 1060252475 /nfs/dbraw/zinc/25/24/75/1060252475.db2.gz SFNCNVGRDNFEPE-GOSISDBHSA-N 1 1 319.452 4.155 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1c(F)cc(F)c(F)c1F ZINC001560463503 1060255982 /nfs/dbraw/zinc/25/59/82/1060255982.db2.gz VEEBTZNACYCARK-UHFFFAOYSA-N 1 1 322.305 4.021 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(O)cc3)c2)C1 ZINC001249503825 1060265857 /nfs/dbraw/zinc/26/58/57/1060265857.db2.gz JGBUWSBQMRKQFZ-MRXNPFEDSA-N 1 1 307.393 4.030 20 30 DIEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2o1)C(C)(C)C ZINC001249541251 1060279285 /nfs/dbraw/zinc/27/92/85/1060279285.db2.gz SZOSLNOVKVBJHZ-UHFFFAOYSA-N 1 1 323.234 4.377 20 30 DIEDMO C=CC[N@@H+](Cc1nc2cc(Br)ccc2o1)C(C)(C)C ZINC001249537259 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C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccccc1Br ZINC001560671478 1060502405 /nfs/dbraw/zinc/50/24/05/1060502405.db2.gz GFRHPIKWEUTYQW-CHWSQXEVSA-N 1 1 309.251 4.382 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(F)(F)F)c(OC)c1 ZINC001249992512 1060525311 /nfs/dbraw/zinc/52/53/11/1060525311.db2.gz AMTHDDAXOFJEOZ-UHFFFAOYSA-N 1 1 317.351 4.382 20 30 DIEDMO C#CC[N@H+](Cc1cc(F)cc(OCC)c1)[C@@H]1CCc2ccccc21 ZINC001560701430 1060559167 /nfs/dbraw/zinc/55/91/67/1060559167.db2.gz MUNGHJYEYGPEIW-OAQYLSRUSA-N 1 1 323.411 4.347 20 30 DIEDMO Cc1cc(NC[C@H](C)CCC#N)c[nH+]c1N1CCCC[C@@H]1C ZINC001560703958 1060562273 /nfs/dbraw/zinc/56/22/73/1060562273.db2.gz SMJHWWAOKMNDLH-ZBFHGGJFSA-N 1 1 300.450 4.121 20 30 DIEDMO N#Cc1ccc(CC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001250054581 1060570692 /nfs/dbraw/zinc/57/06/92/1060570692.db2.gz OLZLBIBXZTYGMB-YADHBBJMSA-N 1 1 314.432 4.464 20 30 DIEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC001560768909 1060634675 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Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643043 1062270103 /nfs/dbraw/zinc/27/01/03/1062270103.db2.gz IMCXWLZUZIGPKN-DNVCBOLYSA-N 1 1 308.425 4.475 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001459633795 1062270597 /nfs/dbraw/zinc/27/05/97/1062270597.db2.gz CCITVVXSMMTSJZ-LJQANCHMSA-N 1 1 310.416 4.459 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(O)cc(Cl)c1 ZINC001474591746 1062303423 /nfs/dbraw/zinc/30/34/23/1062303423.db2.gz QXNCJPJOFIICMN-GFCCVEGCSA-N 1 1 300.789 4.110 20 30 DIEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692400 1062310451 /nfs/dbraw/zinc/31/04/51/1062310451.db2.gz CSPSPCZLNWCCPX-ROUUACIJSA-N 1 1 319.876 4.217 20 30 DIEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710965 1062325993 /nfs/dbraw/zinc/32/59/93/1062325993.db2.gz SLTCOAIWMUYVND-VQIMIIECSA-N 1 1 300.446 4.228 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC001255158625 1062343263 /nfs/dbraw/zinc/34/32/63/1062343263.db2.gz LLVCBYSYWRHBRH-GOSISDBHSA-N 1 1 300.446 4.428 20 30 DIEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccccc1NC(=O)OC(C)(C)C ZINC001255156013 1062345277 /nfs/dbraw/zinc/34/52/77/1062345277.db2.gz DOORPXYDTXMZFC-KBPBESRZSA-N 1 1 317.433 4.376 20 30 DIEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC001255177442 1062354273 /nfs/dbraw/zinc/35/42/73/1062354273.db2.gz RYYDSNGFLYMWDM-HOTGVXAUSA-N 1 1 321.262 4.148 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207101 1062356779 /nfs/dbraw/zinc/35/67/79/1062356779.db2.gz IHGGFOHGMAROFF-BJWYYQGGSA-N 1 1 310.482 4.041 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC001459749165 1062357554 /nfs/dbraw/zinc/35/75/54/1062357554.db2.gz WFFVTKMYEGARQS-LSDHHAIUSA-N 1 1 302.487 4.003 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCOC2CCC2)C(C)(C)C)cc1 ZINC001459749950 1062362541 /nfs/dbraw/zinc/36/25/41/1062362541.db2.gz XHAPNBIGSGXCNF-UHFFFAOYSA-N 1 1 317.473 4.421 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001459798498 1062407629 /nfs/dbraw/zinc/40/76/29/1062407629.db2.gz SRPPWTMASDUPCV-UXHICEINSA-N 1 1 301.474 4.191 20 30 DIEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001459803741 1062411018 /nfs/dbraw/zinc/41/10/18/1062411018.db2.gz BBBNRFWJPONZCS-INIZCTEOSA-N 1 1 309.375 4.425 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812258 1062415687 /nfs/dbraw/zinc/41/56/87/1062415687.db2.gz DEJYHERWKHNQGL-ILCXRZRJSA-N 1 1 312.457 4.408 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC001459814378 1062420101 /nfs/dbraw/zinc/42/01/01/1062420101.db2.gz NJGGSNZAQJIKNN-QVKFZJNVSA-N 1 1 320.436 4.458 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cc(Cl)ccc1F ZINC001459819325 1062425988 /nfs/dbraw/zinc/42/59/88/1062425988.db2.gz YHDHMFVJSVXCLW-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO SCCCCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255398778 1062434633 /nfs/dbraw/zinc/43/46/33/1062434633.db2.gz 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ZINC001459892930 1062478483 /nfs/dbraw/zinc/47/84/83/1062478483.db2.gz RTVYZHPVBCQJHE-IRXDYDNUSA-N 1 1 324.509 4.358 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC001459907838 1062490205 /nfs/dbraw/zinc/49/02/05/1062490205.db2.gz RNMNXFMXAIYQSP-NRFANRHFSA-N 1 1 320.436 4.164 20 30 DIEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925253 1062501668 /nfs/dbraw/zinc/50/16/68/1062501668.db2.gz UOYCGMSLVQAXGU-CQSZACIVSA-N 1 1 309.375 4.425 20 30 DIEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001459925249 1062501805 /nfs/dbraw/zinc/50/18/05/1062501805.db2.gz UOYCGMSLVQAXGU-AWEZNQCLSA-N 1 1 309.375 4.425 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001469238509 1062507641 /nfs/dbraw/zinc/50/76/41/1062507641.db2.gz KNMQXTFETDKBCT-RBUKOAKNSA-N 1 1 322.537 4.460 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001459971099 1062538625 /nfs/dbraw/zinc/53/86/25/1062538625.db2.gz OKQDFTUBFSLBQE-CALCHBBNSA-N 1 1 322.493 4.207 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cncc(Cl)c1)c1ccc(F)c(F)c1 ZINC001459981264 1062541197 /nfs/dbraw/zinc/54/11/97/1062541197.db2.gz WIXMQLUTYPMVLD-MRXNPFEDSA-N 1 1 308.759 4.420 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460028493 1062582499 /nfs/dbraw/zinc/58/24/99/1062582499.db2.gz JEASLVFPQKFQFU-INIZCTEOSA-N 1 1 306.381 4.301 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001460028874 1062583358 /nfs/dbraw/zinc/58/33/58/1062583358.db2.gz JPRJTBCBBHOEGX-FXAWDEMLSA-N 1 1 307.412 4.364 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2cccc(Cl)c2)CCCC1(C)C ZINC001460031264 1062586847 /nfs/dbraw/zinc/58/68/47/1062586847.db2.gz RTDUXZMPUWOQAR-IAGOWNOFSA-N 1 1 307.865 4.440 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1cc(Cl)ccc1Cl ZINC001460032988 1062587154 /nfs/dbraw/zinc/58/71/54/1062587154.db2.gz OMBMYJFTNPOOSH-ZDUSSCGKSA-N 1 1 315.288 4.494 20 30 DIEDMO CCC(CC)[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC#CCOC ZINC001460047431 1062600182 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CCCC[N@@H+](CCC#N)[C@H](C)Cc1cccc(Br)c1 ZINC001256188258 1062745797 /nfs/dbraw/zinc/74/57/97/1062745797.db2.gz PPXOISOLBMKDLX-CQSZACIVSA-N 1 1 323.278 4.396 20 30 DIEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1cccc(Br)c1 ZINC001256189076 1062747426 /nfs/dbraw/zinc/74/74/26/1062747426.db2.gz YBOHWCKZJYNHRU-ZDUSSCGKSA-N 1 1 309.251 4.006 20 30 DIEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001460272362 1062749297 /nfs/dbraw/zinc/74/92/97/1062749297.db2.gz WCZXFHWKUCNABG-FQEVSTJZSA-N 1 1 308.400 4.295 20 30 DIEDMO C[C@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001256229086 1062753822 /nfs/dbraw/zinc/75/38/22/1062753822.db2.gz LNAIZTPBTILANV-CZUORRHYSA-N 1 1 321.262 4.006 20 30 DIEDMO C#CCCCCCC[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001460309207 1062773359 /nfs/dbraw/zinc/77/33/59/1062773359.db2.gz CJMWUZMDUVIDFT-UHFFFAOYSA-N 1 1 309.356 4.024 20 30 DIEDMO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC001460316822 1062775305 /nfs/dbraw/zinc/77/53/05/1062775305.db2.gz ICKLESADMNQLDC-MRXNPFEDSA-N 1 1 317.860 4.115 20 30 DIEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC2(CCCCC2)O1 ZINC001460316822 1062775317 /nfs/dbraw/zinc/77/53/17/1062775317.db2.gz ICKLESADMNQLDC-MRXNPFEDSA-N 1 1 317.860 4.115 20 30 DIEDMO Cc1ccc(C[N@H+]2CCc3ccc(F)cc3[C@H](C)C2)cc1C#N ZINC001460330121 1062786439 /nfs/dbraw/zinc/78/64/39/1062786439.db2.gz AYZXUSYIQVPKGJ-OAHLLOKOSA-N 1 1 308.400 4.168 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001460334165 1062786869 /nfs/dbraw/zinc/78/68/69/1062786869.db2.gz OANZQWMVQIOYBK-LSDHHAIUSA-N 1 1 308.400 4.420 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001460329997 1062786950 /nfs/dbraw/zinc/78/69/50/1062786950.db2.gz VGLNFWGVVNYZER-LJQANCHMSA-N 1 1 316.489 4.219 20 30 DIEDMO CCCCCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001460329997 1062786969 /nfs/dbraw/zinc/78/69/69/1062786969.db2.gz VGLNFWGVVNYZER-LJQANCHMSA-N 1 1 316.489 4.219 20 30 DIEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 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314.473 4.367 20 30 DIEDMO Cc1ccc(C)c([C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000410335288 332113779 /nfs/dbraw/zinc/11/37/79/332113779.db2.gz OJSPZXJNHSOTNM-GOSISDBHSA-N 1 1 314.473 4.397 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000091966881 332116096 /nfs/dbraw/zinc/11/60/96/332116096.db2.gz RVUVOXOICUMHSP-MSOLQXFVSA-N 1 1 318.436 4.044 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(C(F)(F)F)c1 ZINC000092125162 332119836 /nfs/dbraw/zinc/11/98/36/332119836.db2.gz ZGRBWLOITLQUIX-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410381753 332121189 /nfs/dbraw/zinc/12/11/89/332121189.db2.gz KIDTWOKQEOGNJS-SFHVURJKSA-N 1 1 306.494 4.378 20 30 DIEDMO CC(C)(C#N)CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000573563815 332138035 /nfs/dbraw/zinc/13/80/35/332138035.db2.gz JEVMVSFTFXCMEO-KRWDZBQOSA-N 1 1 302.487 4.324 20 30 DIEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000181286454 332190072 /nfs/dbraw/zinc/19/00/72/332190072.db2.gz IFODEHULCXZZHI-UHFFFAOYSA-N 1 1 308.425 4.190 20 30 DIEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000449450982 332203677 /nfs/dbraw/zinc/20/36/77/332203677.db2.gz QEQZAXAIOWNUDW-OAHLLOKOSA-N 1 1 321.808 4.048 20 30 DIEDMO C[N@@H+](Cc1ccccc1-c1ccccc1)C[C@H](C#N)CCC#N ZINC000112560181 332314306 /nfs/dbraw/zinc/31/43/06/332314306.db2.gz IQMYAVSYLFPOQB-KRWDZBQOSA-N 1 1 303.409 4.229 20 30 DIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](C#N)CCC#N ZINC000112560181 332314307 /nfs/dbraw/zinc/31/43/07/332314307.db2.gz IQMYAVSYLFPOQB-KRWDZBQOSA-N 1 1 303.409 4.229 20 30 DIEDMO C=CCC[C@H](NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000560520607 332349718 /nfs/dbraw/zinc/34/97/18/332349718.db2.gz RCFNZUIGPGBRPL-OALUTQOASA-N 1 1 312.457 4.049 20 30 DIEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000560559470 332359967 /nfs/dbraw/zinc/35/99/67/332359967.db2.gz NEZMJHONLDMHGJ-DYVFJYSZSA-N 1 1 314.479 4.298 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1ccccc1 ZINC000560559470 332359968 /nfs/dbraw/zinc/35/99/68/332359968.db2.gz NEZMJHONLDMHGJ-DYVFJYSZSA-N 1 1 314.479 4.298 20 30 DIEDMO C[C@H](C[N@@H+](C)CC(C)(C)C#N)c1cccc(Br)c1 ZINC000560569153 332360910 /nfs/dbraw/zinc/36/09/10/332360910.db2.gz CQTCRESICPDBJV-GFCCVEGCSA-N 1 1 309.251 4.034 20 30 DIEDMO C=C(C)C[N@@H+](C/C=C\c1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000564498020 332379669 /nfs/dbraw/zinc/37/96/69/332379669.db2.gz QKPAEPIAHWQVHW-ARJAWSKDSA-N 1 1 315.388 4.003 20 30 DIEDMO Cc1cc(CNc2ccc([NH+]3CCCC3)cc2C)ccc1C#N ZINC000443965081 332646551 /nfs/dbraw/zinc/64/65/51/332646551.db2.gz WJZVHARYXKBHOG-UHFFFAOYSA-N 1 1 305.425 4.387 20 30 DIEDMO CC[N@@H+](Cc1cccc(NC(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170643439 333037824 /nfs/dbraw/zinc/03/78/24/333037824.db2.gz GMEBRRSGDJIWRZ-HNNXBMFYSA-N 1 1 321.424 4.100 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)s2)C(C)(C)C)cc1 ZINC000580259266 333043217 /nfs/dbraw/zinc/04/32/17/333043217.db2.gz AVLDRRKBGNMGLD-UHFFFAOYSA-N 1 1 314.454 4.429 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580303194 333081548 /nfs/dbraw/zinc/08/15/48/333081548.db2.gz JRNGCNRBTJMJQW-MRXNPFEDSA-N 1 1 323.371 4.151 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCCSCC#N)o1 ZINC000466742849 333082087 /nfs/dbraw/zinc/08/20/87/333082087.db2.gz HNYPNZUIOKFXND-GDBMZVCRSA-N 1 1 306.475 4.262 20 30 DIEDMO CC(C)(C#N)CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000174811335 333090934 /nfs/dbraw/zinc/09/09/34/333090934.db2.gz DQCMDRDIVOWNDE-HNNXBMFYSA-N 1 1 306.475 4.059 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175855558 333105622 /nfs/dbraw/zinc/10/56/22/333105622.db2.gz YKMKKZFSSGVAEM-HOTGVXAUSA-N 1 1 306.475 4.110 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000178509281 333140057 /nfs/dbraw/zinc/14/00/57/333140057.db2.gz JQBNQLGICZCJHT-AWEZNQCLSA-N 1 1 310.363 4.262 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000188074834 333158959 /nfs/dbraw/zinc/15/89/59/333158959.db2.gz KGBKGFCXXJXWQW-LLVKDONJSA-N 1 1 319.202 4.107 20 30 DIEDMO CC(C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1F ZINC000180262226 333160082 /nfs/dbraw/zinc/16/00/82/333160082.db2.gz GPCHVQRUFVHWRQ-WBMJQRKESA-N 1 1 307.800 4.209 20 30 DIEDMO Cc1ccccc1C([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1C ZINC000183945872 333190025 /nfs/dbraw/zinc/19/00/25/333190025.db2.gz HQLPWGMLWVAOFD-GOSISDBHSA-N 1 1 317.436 4.426 20 30 DIEDMO C[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)CC(C)(C)C#N ZINC000497197239 333220491 /nfs/dbraw/zinc/22/04/91/333220491.db2.gz QZQOPHNADDVZQK-UHFFFAOYSA-N 1 1 317.433 4.015 20 30 DIEDMO C[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)CC(C)(C)C#N ZINC000497197239 333220493 /nfs/dbraw/zinc/22/04/93/333220493.db2.gz QZQOPHNADDVZQK-UHFFFAOYSA-N 1 1 317.433 4.015 20 30 DIEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000514085755 333250565 /nfs/dbraw/zinc/25/05/65/333250565.db2.gz XHRLXGHHKZUROS-SFHVURJKSA-N 1 1 300.446 4.380 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191350113 333279690 /nfs/dbraw/zinc/27/96/90/333279690.db2.gz NZCUVYKGOWNQED-UHFFFAOYSA-N 1 1 321.468 4.456 20 30 DIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000364328573 333288239 /nfs/dbraw/zinc/28/82/39/333288239.db2.gz DBNITWHXTGHGRD-RBUKOAKNSA-N 1 1 309.457 4.118 20 30 DIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000364328572 333288313 /nfs/dbraw/zinc/28/83/13/333288313.db2.gz DBNITWHXTGHGRD-OALUTQOASA-N 1 1 309.457 4.118 20 30 DIEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492609380 333305383 /nfs/dbraw/zinc/30/53/83/333305383.db2.gz SZJKAAVYJQTVDH-SMDDNHRTSA-N 1 1 307.235 4.084 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)n1 ZINC000525886158 335140991 /nfs/dbraw/zinc/14/09/91/335140991.db2.gz NZQCQZOMXSYKQV-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)n1 ZINC000525886158 335140992 /nfs/dbraw/zinc/14/09/92/335140992.db2.gz NZQCQZOMXSYKQV-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000571006197 333478189 /nfs/dbraw/zinc/47/81/89/333478189.db2.gz PSXLAXKVMVUWDD-RDJZCZTQSA-N 1 1 313.445 4.446 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nc2c(s1)CCC2 ZINC000414157122 333914342 /nfs/dbraw/zinc/91/43/42/333914342.db2.gz RFGLMGQOYYTBJA-WDEREUQCSA-N 1 1 315.417 4.054 20 30 DIEDMO N#CCCCCNc1cc[nH+]c2c(Br)cccc12 ZINC000264258123 333955370 /nfs/dbraw/zinc/95/53/70/333955370.db2.gz ZZWYBXJQCGYLEN-UHFFFAOYSA-N 1 1 304.191 4.103 20 30 DIEDMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(N(C)CCC#N)cc1 ZINC000271037284 334017662 /nfs/dbraw/zinc/01/76/62/334017662.db2.gz GPHYFXLFOAIHIQ-UHFFFAOYSA-N 1 1 311.429 4.040 20 30 DIEDMO CC(C)(C#N)CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000272068258 334030482 /nfs/dbraw/zinc/03/04/82/334030482.db2.gz YIPNURVQRNRPRM-KRWDZBQOSA-N 1 1 313.832 4.354 20 30 DIEDMO CC(C)(C#N)CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000272068259 334030584 /nfs/dbraw/zinc/03/05/84/334030584.db2.gz YIPNURVQRNRPRM-QGZVFWFLSA-N 1 1 313.832 4.354 20 30 DIEDMO Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000343514603 335173510 /nfs/dbraw/zinc/17/35/10/335173510.db2.gz OSSUFRYIAPSNBY-UHFFFAOYSA-N 1 1 310.445 4.055 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000272473039 334035016 /nfs/dbraw/zinc/03/50/16/334035016.db2.gz AVGRDWFFAJNBMO-UHFFFAOYSA-N 1 1 314.763 4.067 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cc(-c3ccc(Cl)cc3)no2)CC1 ZINC000272613168 334038105 /nfs/dbraw/zinc/03/81/05/334038105.db2.gz SQEIEARKGLODLX-UHFFFAOYSA-N 1 1 315.804 4.121 20 30 DIEDMO N#CCCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000273248547 334044727 /nfs/dbraw/zinc/04/47/27/334044727.db2.gz KNLXHRACGJROFX-OAHLLOKOSA-N 1 1 319.202 4.025 20 30 DIEDMO C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000273769957 334050906 /nfs/dbraw/zinc/05/09/06/334050906.db2.gz QNNREZFMGUVOCB-UWJYYQICSA-N 1 1 319.452 4.218 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343525914 335174634 /nfs/dbraw/zinc/17/46/34/335174634.db2.gz KOUZBWOAGQPWHP-CQSZACIVSA-N 1 1 313.470 4.273 20 30 DIEDMO N#CCCCC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000273907358 334053001 /nfs/dbraw/zinc/05/30/01/334053001.db2.gz YREUFTNBSMSELI-UHFFFAOYSA-N 1 1 319.246 4.232 20 30 DIEDMO CCCCCCCCC[NH2+][C@H](c1ncc[nH]1)c1ccccn1 ZINC000278213390 334093542 /nfs/dbraw/zinc/09/35/42/334093542.db2.gz ICBQAYVWASOCKP-KRWDZBQOSA-N 1 1 300.450 4.234 20 30 DIEDMO N#CC1(CCC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000281942664 334129756 /nfs/dbraw/zinc/12/97/56/334129756.db2.gz IXGZCMXOFPGUPX-KRWDZBQOSA-N 1 1 318.848 4.187 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281925595 334129831 /nfs/dbraw/zinc/12/98/31/334129831.db2.gz HNXYZQKKIYXUDS-LJQANCHMSA-N 1 1 312.457 4.233 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CCC(F)(F)CC2)cc1 ZINC000290076111 334170792 /nfs/dbraw/zinc/17/07/92/334170792.db2.gz GDVXHHLKPVOXKG-UHFFFAOYSA-N 1 1 321.415 4.046 20 30 DIEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318771 334172358 /nfs/dbraw/zinc/17/23/58/334172358.db2.gz CTTKOYMMBBCWRR-HXUWFJFHSA-N 1 1 322.456 4.015 20 30 DIEDMO C[N@@H+](Cc1ccccc1NC(=O)CCCC#N)C1CCCCC1 ZINC000291057069 334176088 /nfs/dbraw/zinc/17/60/88/334176088.db2.gz CPMWYYRYFHKDSA-UHFFFAOYSA-N 1 1 313.445 4.083 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000218270417 334244652 /nfs/dbraw/zinc/24/46/52/334244652.db2.gz NLTSUTMDJCPCAE-ZDUSSCGKSA-N 1 1 303.381 4.143 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000218270417 334244653 /nfs/dbraw/zinc/24/46/53/334244653.db2.gz NLTSUTMDJCPCAE-ZDUSSCGKSA-N 1 1 303.381 4.143 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809325 334328089 /nfs/dbraw/zinc/32/80/89/334328089.db2.gz YOXMEDPHJQNQFN-WBVHZDCISA-N 1 1 308.400 4.384 20 30 DIEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)c1F ZINC000340940308 334395356 /nfs/dbraw/zinc/39/53/56/334395356.db2.gz NIOKJDLAUZFHOZ-UHFFFAOYSA-N 1 1 316.420 4.011 20 30 DIEDMO N#CCc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000342714864 334567921 /nfs/dbraw/zinc/56/79/21/334567921.db2.gz CDWOOQPYUWHCFR-NRFANRHFSA-N 1 1 313.404 4.027 20 30 DIEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2csc(C(C)C)n2)cc1 ZINC000124330524 334740949 /nfs/dbraw/zinc/74/09/49/334740949.db2.gz JIHYAQFXXHCIDG-CQSZACIVSA-N 1 1 314.454 4.129 20 30 DIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000162324086 334905442 /nfs/dbraw/zinc/90/54/42/334905442.db2.gz BRZVPMUSRBTLKW-ZIAGYGMSSA-N 1 1 314.454 4.129 20 30 DIEDMO Cc1nn(C(C)C)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000343631232 335183134 /nfs/dbraw/zinc/18/31/34/335183134.db2.gz YIXHJXQYQQZLEG-UHFFFAOYSA-N 1 1 324.472 4.302 20 30 DIEDMO C[C@H](CC#N)[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000345878848 335357655 /nfs/dbraw/zinc/35/76/55/335357655.db2.gz BNBUHSOOUJEFPQ-CYBMUJFWSA-N 1 1 314.351 4.098 20 30 DIEDMO CC(C)c1nnc(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000330305004 336146252 /nfs/dbraw/zinc/14/62/52/336146252.db2.gz QINFGCUUCGMJKY-CYBMUJFWSA-N 1 1 322.478 4.047 20 30 DIEDMO CC(C)c1nnc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000330305004 336146254 /nfs/dbraw/zinc/14/62/54/336146254.db2.gz QINFGCUUCGMJKY-CYBMUJFWSA-N 1 1 322.478 4.047 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1 ZINC000042313474 336238837 /nfs/dbraw/zinc/23/88/37/336238837.db2.gz YWZIMDOSEOLOGE-LBPRGKRZSA-N 1 1 315.214 4.172 20 30 DIEDMO Cc1cnn(CCCCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000104101739 336244678 /nfs/dbraw/zinc/24/46/78/336244678.db2.gz TYVLLZZJWGMKPX-UHFFFAOYSA-N 1 1 324.472 4.144 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000532492940 336250711 /nfs/dbraw/zinc/25/07/11/336250711.db2.gz ZOJJXUZUIMDEPJ-OAHLLOKOSA-N 1 1 312.388 4.159 20 30 DIEDMO CN(C)c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000532590381 336256664 /nfs/dbraw/zinc/25/66/64/336256664.db2.gz WETVWRSXSNDXOH-PZJWPPBQSA-N 1 1 319.452 4.024 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000532608535 336257514 /nfs/dbraw/zinc/25/75/14/336257514.db2.gz VTEUZCHJPNHQIU-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000532608535 336257515 /nfs/dbraw/zinc/25/75/15/336257515.db2.gz VTEUZCHJPNHQIU-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000352830235 336267930 /nfs/dbraw/zinc/26/79/30/336267930.db2.gz CJCXOBNTSDGQIN-KRWDZBQOSA-N 1 1 311.454 4.305 20 30 DIEDMO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000352830236 336268001 /nfs/dbraw/zinc/26/80/01/336268001.db2.gz CJCXOBNTSDGQIN-QGZVFWFLSA-N 1 1 311.454 4.305 20 30 DIEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000526990401 336278092 /nfs/dbraw/zinc/27/80/92/336278092.db2.gz LTTICXOFRVWPNN-IYBDPMFKSA-N 1 1 306.409 4.120 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(C#N)cnc2ccccc21 ZINC000301355922 336302190 /nfs/dbraw/zinc/30/21/90/336302190.db2.gz KKLDPBOHPGNQFM-MRXNPFEDSA-N 1 1 322.456 4.173 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(CC#N)cc1 ZINC000352923048 336377373 /nfs/dbraw/zinc/37/73/73/336377373.db2.gz TXESWAFGPHUMBO-UHFFFAOYSA-N 1 1 322.456 4.108 20 30 DIEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638489 336387262 /nfs/dbraw/zinc/38/72/62/336387262.db2.gz ARDSQZYKKSRPOL-CYBMUJFWSA-N 1 1 316.392 4.150 20 30 DIEDMO CCc1[nH+]ccn1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193068755 336393137 /nfs/dbraw/zinc/39/31/37/336393137.db2.gz BYRMTPIQFVOLFK-UHFFFAOYSA-N 1 1 315.420 4.345 20 30 DIEDMO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CCC1 ZINC000357908656 336603157 /nfs/dbraw/zinc/60/31/57/336603157.db2.gz KUHGENULJNJCLZ-UHFFFAOYSA-N 1 1 306.837 4.087 20 30 DIEDMO C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1cccc(C#N)c1 ZINC000373222775 336953479 /nfs/dbraw/zinc/95/34/79/336953479.db2.gz DHBWRSUHHPQBNG-HRAATJIYSA-N 1 1 313.404 4.393 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCC3(CCCCC3)C2)CCOCC1 ZINC000375609596 337014517 /nfs/dbraw/zinc/01/45/17/337014517.db2.gz BCGLOWPZJDSTMB-UHFFFAOYSA-N 1 1 304.478 4.133 20 30 DIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000122742975 337023062 /nfs/dbraw/zinc/02/30/62/337023062.db2.gz OMHUWPMKYRSKRY-OAHLLOKOSA-N 1 1 317.392 4.406 20 30 DIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000122742975 337023063 /nfs/dbraw/zinc/02/30/63/337023063.db2.gz OMHUWPMKYRSKRY-OAHLLOKOSA-N 1 1 317.392 4.406 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000377698823 337058992 /nfs/dbraw/zinc/05/89/92/337058992.db2.gz PSFGZAYQIZLNGL-HXUWFJFHSA-N 1 1 321.424 4.101 20 30 DIEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCCCC(C)(C)C#N)C2 ZINC000377725659 337059736 /nfs/dbraw/zinc/05/97/36/337059736.db2.gz RBNWSSLIHWJBLL-UHFFFAOYSA-N 1 1 312.457 4.262 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)nc1 ZINC000521455483 337079517 /nfs/dbraw/zinc/07/95/17/337079517.db2.gz FEHYPHDBITUVCZ-UHFFFAOYSA-N 1 1 318.207 4.039 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000177267867 337154706 /nfs/dbraw/zinc/15/47/06/337154706.db2.gz CDSSCWZPXFXWAT-INIZCTEOSA-N 1 1 304.846 4.063 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nccs1 ZINC000177267884 337154776 /nfs/dbraw/zinc/15/47/76/337154776.db2.gz CDSSCWZPXFXWAT-MRXNPFEDSA-N 1 1 304.846 4.063 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000177855910 337160745 /nfs/dbraw/zinc/16/07/45/337160745.db2.gz XZLSIQHHTJHFLY-MRXNPFEDSA-N 1 1 316.376 4.163 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000184088255 337196153 /nfs/dbraw/zinc/19/61/53/337196153.db2.gz PIQARBAKSOERMT-GOSISDBHSA-N 1 1 324.424 4.056 20 30 DIEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577349 337267061 /nfs/dbraw/zinc/26/70/61/337267061.db2.gz JONQMFPRDXEGAA-APWZRJJASA-N 1 1 322.456 4.084 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000193029917 337308904 /nfs/dbraw/zinc/30/89/04/337308904.db2.gz JRFOQYLCTNRIOI-DOXZYTNZSA-N 1 1 310.397 4.050 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(C(F)(F)F)c1 ZINC000584583639 337368421 /nfs/dbraw/zinc/36/84/21/337368421.db2.gz MMGBQOZWTMEADB-INIZCTEOSA-N 1 1 308.347 4.342 20 30 DIEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)c1 ZINC000120642169 337395956 /nfs/dbraw/zinc/39/59/56/337395956.db2.gz NVDQBMINOGMSQC-KRWDZBQOSA-N 1 1 316.445 4.171 20 30 DIEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903617 337396140 /nfs/dbraw/zinc/39/61/40/337396140.db2.gz CZFUPAPNCBDTNI-NVXWUHKLSA-N 1 1 324.428 4.009 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(C#N)c(F)c1 ZINC000538508974 337581456 /nfs/dbraw/zinc/58/14/56/337581456.db2.gz RAUIDZFHXYSIHV-QWRGUYRKSA-N 1 1 304.315 4.387 20 30 DIEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424193872 337805685 /nfs/dbraw/zinc/80/56/85/337805685.db2.gz KYFCTAXGAVYJHG-WOJBJXKFSA-N 1 1 324.399 4.096 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000537298999 337929284 /nfs/dbraw/zinc/92/92/84/337929284.db2.gz SCYANFJJCMICBD-CQSZACIVSA-N 1 1 307.180 4.235 20 30 DIEDMO CC(C)([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428363076 338048855 /nfs/dbraw/zinc/04/88/55/338048855.db2.gz KLJLRVMZIGYHKU-UHFFFAOYSA-N 1 1 302.780 4.376 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccc(C#N)cc1 ZINC000428849316 338062128 /nfs/dbraw/zinc/06/21/28/338062128.db2.gz LBTQTCBZELAJIV-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc2O1 ZINC000429163563 338072175 /nfs/dbraw/zinc/07/21/75/338072175.db2.gz AFRIRIASZOCBJV-INIZCTEOSA-N 1 1 320.436 4.271 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2ccccc2O1 ZINC000429163564 338072406 /nfs/dbraw/zinc/07/24/06/338072406.db2.gz AFRIRIASZOCBJV-MRXNPFEDSA-N 1 1 320.436 4.271 20 30 DIEDMO Cc1ccc2c(C[N@H+](CCC#N)CCC(C)C)ccc(O)c2n1 ZINC000429693698 338087464 /nfs/dbraw/zinc/08/74/64/338087464.db2.gz KNHILMBXDWITKR-UHFFFAOYSA-N 1 1 311.429 4.011 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000430098683 338096452 /nfs/dbraw/zinc/09/64/52/338096452.db2.gz WNWPGDWCPVYXQS-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000430098683 338096453 /nfs/dbraw/zinc/09/64/53/338096453.db2.gz WNWPGDWCPVYXQS-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)o1 ZINC000430194991 338100755 /nfs/dbraw/zinc/10/07/55/338100755.db2.gz LZODWTLBDYFOEW-INIZCTEOSA-N 1 1 318.829 4.171 20 30 DIEDMO CC[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc(C#N)cc1 ZINC000430747698 338113306 /nfs/dbraw/zinc/11/33/06/338113306.db2.gz YICINZWACCNFEB-HNNXBMFYSA-N 1 1 322.305 4.356 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000433013084 338176226 /nfs/dbraw/zinc/17/62/26/338176226.db2.gz WKILZGMDJHFTLX-MRXNPFEDSA-N 1 1 323.371 4.492 20 30 DIEDMO C=CCOc1cccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000433201459 338185661 /nfs/dbraw/zinc/18/56/61/338185661.db2.gz MDCCZZYLRKMUKB-UHFFFAOYSA-N 1 1 323.770 4.473 20 30 DIEDMO CCC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC1 ZINC000154696578 338250490 /nfs/dbraw/zinc/25/04/90/338250490.db2.gz NQZMBEBKSJVJDA-UHFFFAOYSA-N 1 1 322.456 4.086 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1F ZINC000437084056 338299782 /nfs/dbraw/zinc/29/97/82/338299782.db2.gz UENXGWBLGYJPPD-APPDUMDISA-N 1 1 314.335 4.011 20 30 DIEDMO Cc1ccsc1C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437423151 338309721 /nfs/dbraw/zinc/30/97/21/338309721.db2.gz DYGZYRAWHVMVAS-UHFFFAOYSA-N 1 1 322.380 4.162 20 30 DIEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1OC(F)F ZINC000437441530 338310330 /nfs/dbraw/zinc/31/03/30/338310330.db2.gz WIKSNPQYWZXSTF-UHFFFAOYSA-N 1 1 316.351 4.182 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000438112268 338332411 /nfs/dbraw/zinc/33/24/11/338332411.db2.gz FBVLXCGBGNMPAH-KRWDZBQOSA-N 1 1 310.397 4.277 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000438607179 338349804 /nfs/dbraw/zinc/34/98/04/338349804.db2.gz MZRMCGZBNUJCNR-LJQANCHMSA-N 1 1 306.409 4.212 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000439431701 338369322 /nfs/dbraw/zinc/36/93/22/338369322.db2.gz NYUICCUTTCZINW-AWEZNQCLSA-N 1 1 317.845 4.048 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2Cl)s1 ZINC000439436520 338369452 /nfs/dbraw/zinc/36/94/52/338369452.db2.gz XCSSNHNFNTWOOG-NSHDSACASA-N 1 1 319.861 4.478 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2Cl)s1 ZINC000439436520 338369453 /nfs/dbraw/zinc/36/94/53/338369453.db2.gz XCSSNHNFNTWOOG-NSHDSACASA-N 1 1 319.861 4.478 20 30 DIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439436575 338369461 /nfs/dbraw/zinc/36/94/61/338369461.db2.gz IIFMSTRKCHKICO-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439505 338369487 /nfs/dbraw/zinc/36/94/87/338369487.db2.gz MJGTZFTUDRPUQB-LBPRGKRZSA-N 1 1 300.789 4.110 20 30 DIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439505 338369488 /nfs/dbraw/zinc/36/94/88/338369488.db2.gz MJGTZFTUDRPUQB-LBPRGKRZSA-N 1 1 300.789 4.110 20 30 DIEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2Cl)cc1C ZINC000439444820 338369612 /nfs/dbraw/zinc/36/96/12/338369612.db2.gz BPTFKAHTRYNKEM-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2Cl)cc1C ZINC000439444820 338369613 /nfs/dbraw/zinc/36/96/13/338369613.db2.gz BPTFKAHTRYNKEM-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454228 338369947 /nfs/dbraw/zinc/36/99/47/338369947.db2.gz RJZVKWDVPXNHSP-LSDHHAIUSA-N 1 1 308.878 4.318 20 30 DIEDMO CC(C)c1ncc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cn1 ZINC000440490823 338388490 /nfs/dbraw/zinc/38/84/90/338388490.db2.gz VNANNYNXORPKKV-UHFFFAOYSA-N 1 1 322.456 4.033 20 30 DIEDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cn1 ZINC000440490823 338388491 /nfs/dbraw/zinc/38/84/91/338388491.db2.gz VNANNYNXORPKKV-UHFFFAOYSA-N 1 1 322.456 4.033 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)cc1F ZINC000453265496 338816057 /nfs/dbraw/zinc/81/60/57/338816057.db2.gz CPEYBXQUEWRGBY-SNUQEOBHSA-N 1 1 310.372 4.260 20 30 DIEDMO CC(C)C[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459461743 339030487 /nfs/dbraw/zinc/03/04/87/339030487.db2.gz GRZKXGDFYKIONU-GOSISDBHSA-N 1 1 323.396 4.343 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000462824277 339092451 /nfs/dbraw/zinc/09/24/51/339092451.db2.gz DPLXQTQDMDWIPB-UHFFFAOYSA-N 1 1 321.420 4.004 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000464733587 339150512 /nfs/dbraw/zinc/15/05/12/339150512.db2.gz JUJYAVOKKPLGCV-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000464733587 339150513 /nfs/dbraw/zinc/15/05/13/339150513.db2.gz JUJYAVOKKPLGCV-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO 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MBVWFVDOCPVSCN-UHFFFAOYSA-N 1 1 315.436 4.490 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(F)ccc1C ZINC000512516804 340365193 /nfs/dbraw/zinc/36/51/93/340365193.db2.gz MBVWFVDOCPVSCN-UHFFFAOYSA-N 1 1 315.436 4.490 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1OCC1CC1)c1ccc(C#N)cc1F ZINC000512660154 340371640 /nfs/dbraw/zinc/37/16/40/340371640.db2.gz LKLRHOPUMBSFOV-AWEZNQCLSA-N 1 1 324.399 4.337 20 30 DIEDMO C[C@@H]1SCC[N@@H+](CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868200 340397879 /nfs/dbraw/zinc/39/78/79/340397879.db2.gz KISZIUORVBBWAB-DOTOQJQBSA-N 1 1 302.487 4.495 20 30 DIEDMO CN(Cc1cccc(C#N)c1)c1cc[nH+]c2ccc(Cl)cc21 ZINC000513652159 340417225 /nfs/dbraw/zinc/41/72/25/340417225.db2.gz JLSOLMLHBDMAMS-UHFFFAOYSA-N 1 1 307.784 4.396 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)c1ccccc1 ZINC000311643464 340448507 /nfs/dbraw/zinc/44/85/07/340448507.db2.gz RZEBAVQVSFJRSE-GFCCVEGCSA-N 1 1 315.214 4.172 20 30 DIEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000540594700 340937336 /nfs/dbraw/zinc/93/73/36/340937336.db2.gz XSQNBQUZCBNAAW-UXPWSPDFSA-N 1 1 313.489 4.109 20 30 DIEDMO Cc1cc(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000542015843 340993356 /nfs/dbraw/zinc/99/33/56/340993356.db2.gz UKFYWXZIQYYAGW-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(CC#N)cc1)[C@H]2C ZINC000542256928 341002298 /nfs/dbraw/zinc/00/22/98/341002298.db2.gz CIVFASBJLUPBMR-CVEARBPZSA-N 1 1 320.436 4.269 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1c1ccccc1 ZINC000542277375 341003231 /nfs/dbraw/zinc/00/32/31/341003231.db2.gz PNXZWYIYLLKVSI-OXQOHEQNSA-N 1 1 322.477 4.431 20 30 DIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000542279416 341003354 /nfs/dbraw/zinc/00/33/54/341003354.db2.gz VFQOPXQXBNQIGJ-KRWDZBQOSA-N 1 1 322.452 4.214 20 30 DIEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000542280083 341003407 /nfs/dbraw/zinc/00/34/07/341003407.db2.gz JXLHYFZCWRECSL-CYBMUJFWSA-N 1 1 312.363 4.150 20 30 DIEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000542280083 341003408 /nfs/dbraw/zinc/00/34/08/341003408.db2.gz JXLHYFZCWRECSL-CYBMUJFWSA-N 1 1 312.363 4.150 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000130276971 341011928 /nfs/dbraw/zinc/01/19/28/341011928.db2.gz QKIANVFCINQNAH-GFCCVEGCSA-N 1 1 300.789 4.071 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cccc(C#N)c2F)c1 ZINC000543182022 341035754 /nfs/dbraw/zinc/03/57/54/341035754.db2.gz MKJWYEPLRNUWKU-IFXJQAMLSA-N 1 1 324.399 4.289 20 30 DIEDMO N#Cc1ccc(C[N@H+](CC#Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000543245856 341037963 /nfs/dbraw/zinc/03/79/63/341037963.db2.gz KSGUTYZCXGNOCS-UHFFFAOYSA-N 1 1 320.823 4.228 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2cccnc2)c1 ZINC000130761156 341041320 /nfs/dbraw/zinc/04/13/20/341041320.db2.gz ITTAGWLVPRJJTD-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1OC ZINC000131092694 341059344 /nfs/dbraw/zinc/05/93/44/341059344.db2.gz JDSARILSQOIXCS-AWEZNQCLSA-N 1 1 301.386 4.046 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCC(C)(C)C#N)[C@@H]2C ZINC000543808936 341060081 /nfs/dbraw/zinc/06/00/81/341060081.db2.gz BGEBKNHFOBWLHL-HUUCEWRRSA-N 1 1 300.446 4.333 20 30 DIEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000135019924 341228994 /nfs/dbraw/zinc/22/89/94/341228994.db2.gz ULRPJPXWXZQQRZ-HNNXBMFYSA-N 1 1 316.857 4.028 20 30 DIEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000135019924 341228995 /nfs/dbraw/zinc/22/89/95/341228995.db2.gz ULRPJPXWXZQQRZ-HNNXBMFYSA-N 1 1 316.857 4.028 20 30 DIEDMO C[C@H](O)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCCCC1 ZINC000135178672 341232870 /nfs/dbraw/zinc/23/28/70/341232870.db2.gz BJKGAXSSIFPGTH-INIZCTEOSA-N 1 1 314.473 4.003 20 30 DIEDMO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)ccc1C#N ZINC000549172010 341287894 /nfs/dbraw/zinc/28/78/94/341287894.db2.gz LOPWJGFOGHMJFJ-MRXNPFEDSA-N 1 1 322.374 4.421 20 30 DIEDMO C=C[C@@](C)(CC)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000549171311 341287954 /nfs/dbraw/zinc/28/79/54/341287954.db2.gz CQGCJUYANOYKLW-KRWDZBQOSA-N 1 1 321.490 4.060 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCCC[N@H+]2CCOCCC#N)cc1 ZINC000549921591 341306639 /nfs/dbraw/zinc/30/66/39/341306639.db2.gz FKZZGOMVIXLZAZ-IBGZPJMESA-N 1 1 300.446 4.267 20 30 DIEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CC1(C)C ZINC000552072503 341367613 /nfs/dbraw/zinc/36/76/13/341367613.db2.gz MXSONFFBQUHSTO-GOSISDBHSA-N 1 1 300.446 4.236 20 30 DIEDMO C[C@H]([NH2+][C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000554372772 341451932 /nfs/dbraw/zinc/45/19/32/341451932.db2.gz VOFLGZJALAZVJI-CSJMPQKXSA-N 1 1 314.335 4.009 20 30 DIEDMO COc1cc(C[NH2+]Cc2c(Cl)cccc2Cl)ccc1C#N ZINC000554982161 341471350 /nfs/dbraw/zinc/47/13/50/341471350.db2.gz JVHZMSXRTIDZCT-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO Cc1[nH+]ccn1CCCCSc1ccc(C#N)cc1Cl ZINC000158179857 341652820 /nfs/dbraw/zinc/65/28/20/341652820.db2.gz JBSFSTDSQYCXHZ-UHFFFAOYSA-N 1 1 305.834 4.289 20 30 DIEDMO CC(C)COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181644207 519757618 /nfs/dbraw/zinc/75/76/18/519757618.db2.gz HJNWTRCBWMEHIR-YJBOKZPZSA-N 1 1 312.413 4.216 20 30 DIEDMO CCC1CCC([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000266623734 519853208 /nfs/dbraw/zinc/85/32/08/519853208.db2.gz GNLUVGSHPCIKLV-UHFFFAOYSA-N 1 1 324.428 4.009 20 30 DIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000156878891 521365673 /nfs/dbraw/zinc/36/56/73/521365673.db2.gz ACDFWJFLXFUTPH-MRXNPFEDSA-N 1 1 324.428 4.009 20 30 DIEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546137 522332636 /nfs/dbraw/zinc/33/26/36/522332636.db2.gz RNHLXMAPBJJPOZ-PBHICJAKSA-N 1 1 324.428 4.009 20 30 DIEDMO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(C#N)cc1 ZINC000365491209 522758719 /nfs/dbraw/zinc/75/87/19/522758719.db2.gz KOAOOGMBOPMIMR-HOTGVXAUSA-N 1 1 314.335 4.011 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(C#N)o2)cc1 ZINC000156082433 524114599 /nfs/dbraw/zinc/11/45/99/524114599.db2.gz JPKYILMFHGZYAX-OAHLLOKOSA-N 1 1 309.413 4.138 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000157928651 524813202 /nfs/dbraw/zinc/81/32/02/524813202.db2.gz QFGPLZMSANLUSB-QAPCUYQASA-N 1 1 306.409 4.117 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000157928508 524813594 /nfs/dbraw/zinc/81/35/94/524813594.db2.gz QFGPLZMSANLUSB-YJBOKZPZSA-N 1 1 306.409 4.117 20 30 DIEDMO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000181437161 525533491 /nfs/dbraw/zinc/53/34/91/525533491.db2.gz WHLRXGIKNTWAIJ-QGZVFWFLSA-N 1 1 319.452 4.005 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)s1 ZINC000372964838 526611189 /nfs/dbraw/zinc/61/11/89/526611189.db2.gz AAZXOUQOIBXKGP-UHFFFAOYSA-N 1 1 317.845 4.048 20 30 DIEDMO C=CC[N@H+](Cc1cncc(Br)c1)CC1CCCCC1 ZINC000484570904 1048971262 /nfs/dbraw/zinc/97/12/62/1048971262.db2.gz SFEYKSDNJUBEJF-UHFFFAOYSA-N 1 1 323.278 4.412 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232898152 1054143291 /nfs/dbraw/zinc/14/32/91/1054143291.db2.gz SBYAVZAKSOMAQF-AWEZNQCLSA-N 1 1 307.235 4.085 20 30 DIEDMO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246086540 1058669492 /nfs/dbraw/zinc/66/94/92/1058669492.db2.gz DGIQLAMARPVYQV-CVEARBPZSA-N 1 1 304.469 4.350 20 30 DIEDMO C=CCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001460282560 1062752446 /nfs/dbraw/zinc/75/24/46/1062752446.db2.gz FXQYUIMUWAZENL-MRXNPFEDSA-N 1 1 308.263 4.422 20 30 DIEDMO CCCCCCCCCC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC001307760377 1065609740 /nfs/dbraw/zinc/60/97/40/1065609740.db2.gz UPWCWMPNFGSRQO-SQGPQFPESA-N 1 1 301.540 4.359 20 30 DIEDMO CC[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C[C@H](C)C#N ZINC000089891515 1035712549 /nfs/dbraw/zinc/71/25/49/1035712549.db2.gz NHMIIJSDAURBLL-CQSZACIVSA-N 1 1 317.433 4.015 20 30 DIEDMO CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C[C@H](C)C#N ZINC000089891515 1035712565 /nfs/dbraw/zinc/71/25/65/1035712565.db2.gz NHMIIJSDAURBLL-CQSZACIVSA-N 1 1 317.433 4.015 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216064 1035750014 /nfs/dbraw/zinc/75/00/14/1035750014.db2.gz HSNPSYBRRSJMBE-KXBFYZLASA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CC[C@H]1c1ccccc1 ZINC000610216129 1035751031 /nfs/dbraw/zinc/75/10/31/1035751031.db2.gz OBYRMRIBEWSKFU-LAUBAEHRSA-N 1 1 320.436 4.063 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(F)c(F)c1 ZINC000187375296 1035780689 /nfs/dbraw/zinc/78/06/89/1035780689.db2.gz ZDPJWUJUGKLDRQ-MRXNPFEDSA-N 1 1 308.397 4.445 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1OCCCC#N ZINC000154466739 1035901983 /nfs/dbraw/zinc/90/19/83/1035901983.db2.gz RVFALRVRJANYHN-UHFFFAOYSA-N 1 1 324.424 4.010 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660718164 1035911977 /nfs/dbraw/zinc/91/19/77/1035911977.db2.gz PREXYROJFLCYTL-INIZCTEOSA-N 1 1 302.466 4.083 20 30 DIEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2c2ccccc2F)cc1 ZINC001208926032 1035944846 /nfs/dbraw/zinc/94/48/46/1035944846.db2.gz FVGZZYBDBKTDAC-FQEVSTJZSA-N 1 1 308.400 4.467 20 30 DIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000187239110 1036086694 /nfs/dbraw/zinc/08/66/94/1036086694.db2.gz DZOUQJWRFMKSOT-UHFFFAOYSA-N 1 1 314.816 4.245 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209432839 1036173167 /nfs/dbraw/zinc/17/31/67/1036173167.db2.gz KPKAMCMAQGISIL-RTBURBONSA-N 1 1 315.457 4.359 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001209441823 1036188872 /nfs/dbraw/zinc/18/88/72/1036188872.db2.gz KNSPRWAELRYEAE-UHFFFAOYSA-N 1 1 305.491 4.083 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1C(F)(F)F ZINC001204464605 1036276179 /nfs/dbraw/zinc/27/61/79/1036276179.db2.gz KTSHCMNQFYFXGT-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(F)cccc1C(F)(F)F ZINC001204464605 1036276194 /nfs/dbraw/zinc/27/61/94/1036276194.db2.gz KTSHCMNQFYFXGT-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC001167252097 1036325659 /nfs/dbraw/zinc/32/56/59/1036325659.db2.gz SNOKFXBQGQLQKA-LJQANCHMSA-N 1 1 312.457 4.372 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CC2(CO1)CCCCC2 ZINC001167273907 1036356465 /nfs/dbraw/zinc/35/64/65/1036356465.db2.gz UEHMGCKICJFULL-FQEVSTJZSA-N 1 1 313.485 4.457 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000340420824 1036573404 /nfs/dbraw/zinc/57/34/04/1036573404.db2.gz ZLANKAGUHVJECP-UHFFFAOYSA-N 1 1 313.813 4.111 20 30 DIEDMO C=CCCCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000579991948 1036701581 /nfs/dbraw/zinc/70/15/81/1036701581.db2.gz MEHGMQAVCHGMQI-OAHLLOKOSA-N 1 1 302.466 4.059 20 30 DIEDMO C=CCCCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000579991948 1036701594 /nfs/dbraw/zinc/70/15/94/1036701594.db2.gz MEHGMQAVCHGMQI-OAHLLOKOSA-N 1 1 302.466 4.059 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000609280820 1036758499 /nfs/dbraw/zinc/75/84/99/1036758499.db2.gz QJLRESQNPOQMHM-IBGZPJMESA-N 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Cc1cccnc1[C@@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000934291564 1038582632 /nfs/dbraw/zinc/58/26/32/1038582632.db2.gz MWBSGWCLTXEFBY-GOSISDBHSA-N 1 1 311.404 4.278 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000593962505 1038590853 /nfs/dbraw/zinc/59/08/53/1038590853.db2.gz XQRIVFJQWFFISA-ZDUSSCGKSA-N 1 1 311.816 4.332 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c(Cl)c1 ZINC000615224981 1038615913 /nfs/dbraw/zinc/61/59/13/1038615913.db2.gz BIGUABWQMHAFPJ-GOSISDBHSA-N 1 1 312.800 4.254 20 30 DIEDMO C=CCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000606896286 1038636425 /nfs/dbraw/zinc/63/64/25/1038636425.db2.gz CTIFHDOCIDEIKG-NRFANRHFSA-N 1 1 323.436 4.227 20 30 DIEDMO N#Cc1ccc(C[NH+](Cc2cccs2)Cc2cccs2)o1 ZINC000120085625 1038642268 /nfs/dbraw/zinc/64/22/68/1038642268.db2.gz VWYPGRPQRARZGZ-UHFFFAOYSA-N 1 1 314.435 4.477 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000582378181 1038644720 /nfs/dbraw/zinc/64/47/20/1038644720.db2.gz 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4.165 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1coc(-c2ccccc2)n1 ZINC000491282364 1039328694 /nfs/dbraw/zinc/32/86/94/1039328694.db2.gz FIXRAJNKMZHNDC-UHFFFAOYSA-N 1 1 308.381 4.165 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000539827731 1039354584 /nfs/dbraw/zinc/35/45/84/1039354584.db2.gz VBXQOULMSZNWNJ-UHFFFAOYSA-N 1 1 311.429 4.447 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COCC)C2)cc1Cl ZINC000539826452 1039354696 /nfs/dbraw/zinc/35/46/96/1039354696.db2.gz SAIRFEDDRSLWKF-MRXNPFEDSA-N 1 1 323.864 4.153 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000539827904 1039357893 /nfs/dbraw/zinc/35/78/93/1039357893.db2.gz OPYJRXMFDVBFRJ-INIZCTEOSA-N 1 1 311.425 4.020 20 30 DIEDMO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cc1C#N ZINC000728570232 1039360684 /nfs/dbraw/zinc/36/06/84/1039360684.db2.gz YZTFREXLPUSJEO-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cc1C#N ZINC000728570232 1039360704 /nfs/dbraw/zinc/36/07/04/1039360704.db2.gz YZTFREXLPUSJEO-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000540367749 1039484301 /nfs/dbraw/zinc/48/43/01/1039484301.db2.gz HQMSQPPSCDKWKM-ZDUSSCGKSA-N 1 1 317.791 4.190 20 30 DIEDMO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000157926181 1039484737 /nfs/dbraw/zinc/48/47/37/1039484737.db2.gz JFTPBGVQLVMUIC-MRXNPFEDSA-N 1 1 324.428 4.203 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000157926181 1039484749 /nfs/dbraw/zinc/48/47/49/1039484749.db2.gz JFTPBGVQLVMUIC-MRXNPFEDSA-N 1 1 324.428 4.203 20 30 DIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665036 1039540001 /nfs/dbraw/zinc/54/00/01/1039540001.db2.gz FNEFNOHKTDFOFO-QGZVFWFLSA-N 1 1 310.445 4.040 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000158707823 1039578992 /nfs/dbraw/zinc/57/89/92/1039578992.db2.gz KJIOQGBOICCSQA-LJQANCHMSA-N 1 1 307.441 4.223 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1cc(C#N)cs1)[C@H]2C 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20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cccc(C#N)c2)c1 ZINC000541316846 1039663019 /nfs/dbraw/zinc/66/30/19/1039663019.db2.gz JUDLJOKVBWFHNS-QRWLVFNGSA-N 1 1 306.409 4.150 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)c(F)c2)C2CC2)cc1 ZINC000541319467 1039664959 /nfs/dbraw/zinc/66/49/59/1039664959.db2.gz VJSZDFUCWRDOMX-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000541653130 1039726809 /nfs/dbraw/zinc/72/68/09/1039726809.db2.gz GNKKXPREJQDSOY-ZDUSSCGKSA-N 1 1 313.470 4.357 20 30 DIEDMO COc1ccc2oc([C@@H](C)[NH2+]Cc3ccccc3C#N)c(C)c2c1 ZINC000179085389 1039727491 /nfs/dbraw/zinc/72/74/91/1039727491.db2.gz SBYBUAOGLITIGT-CQSZACIVSA-N 1 1 320.392 4.472 20 30 DIEDMO C=CC[N@H+](Cc1cc(Cl)cc(Br)c1)C1CC1 ZINC001168439780 1039789675 /nfs/dbraw/zinc/78/96/75/1039789675.db2.gz YRXYFJZJPXZSNV-UHFFFAOYSA-N 1 1 300.627 4.253 20 30 DIEDMO C[C@H](Cc1ccsc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542152137 1039803788 /nfs/dbraw/zinc/80/37/88/1039803788.db2.gz HPORFULDAMFEJD-OAHLLOKOSA-N 1 1 308.450 4.340 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000090172345 1039804879 /nfs/dbraw/zinc/80/48/79/1039804879.db2.gz YLPWDZTUPWKQAL-ZDUSSCGKSA-N 1 1 306.793 4.189 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1C(C)(C)C#N ZINC000491384601 1039840060 /nfs/dbraw/zinc/84/00/60/1039840060.db2.gz UMQKBRMUNNGETQ-UHFFFAOYSA-N 1 1 308.425 4.311 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000491380216 1039841523 /nfs/dbraw/zinc/84/15/23/1039841523.db2.gz MCEXHDKUSBHXCV-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000491380216 1039841544 /nfs/dbraw/zinc/84/15/44/1039841544.db2.gz MCEXHDKUSBHXCV-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000030224091 1039872740 /nfs/dbraw/zinc/87/27/40/1039872740.db2.gz WGRCIADEASFXDT-MRXNPFEDSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000030224091 1039872768 /nfs/dbraw/zinc/87/27/68/1039872768.db2.gz WGRCIADEASFXDT-MRXNPFEDSA-N 1 1 300.402 4.268 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)ccn1 ZINC000611941637 1040100834 /nfs/dbraw/zinc/10/08/34/1040100834.db2.gz BBFXCJQJUFGGMH-JTHGQSKGSA-N 1 1 323.465 4.473 20 30 DIEDMO N#CCc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000612061021 1040317177 /nfs/dbraw/zinc/31/71/77/1040317177.db2.gz VAJCVMBTKUOWHO-UHFFFAOYSA-N 1 1 312.363 4.195 20 30 DIEDMO N#CCc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000612061021 1040317186 /nfs/dbraw/zinc/31/71/86/1040317186.db2.gz VAJCVMBTKUOWHO-UHFFFAOYSA-N 1 1 312.363 4.195 20 30 DIEDMO CCCCCCCCC[C@@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217894897 1040450900 /nfs/dbraw/zinc/45/09/00/1040450900.db2.gz GTZDPBDHSJBPFG-SJORKVTESA-N 1 1 315.498 4.203 20 30 DIEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356121710 1040540899 /nfs/dbraw/zinc/54/08/99/1040540899.db2.gz JWXYOKSTHVGEIW-LLVKDONJSA-N 1 1 316.392 4.150 20 30 DIEDMO CC[N@@H+](C[C@@H](OC)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000558832468 1040560861 /nfs/dbraw/zinc/56/08/61/1040560861.db2.gz DARWTQGRBOAKAD-OXQOHEQNSA-N 1 1 308.425 4.329 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000935501706 1040623572 /nfs/dbraw/zinc/62/35/72/1040623572.db2.gz NMSPEBUJNLAUCE-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000935501706 1040623598 /nfs/dbraw/zinc/62/35/98/1040623598.db2.gz NMSPEBUJNLAUCE-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO COc1ccc(Oc2ccc(C[NH2+]CC(C)(C)C#N)cc2)cc1 ZINC000612585920 1040648908 /nfs/dbraw/zinc/64/89/08/1040648908.db2.gz XYKHRWWFQKBNSN-UHFFFAOYSA-N 1 1 310.397 4.127 20 30 DIEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1F ZINC001140754488 1040660177 /nfs/dbraw/zinc/66/01/77/1040660177.db2.gz BDBFGSJRPDEUIE-HNNXBMFYSA-N 1 1 304.384 4.239 20 30 DIEDMO C=C(C)CCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC001125798335 1040671628 /nfs/dbraw/zinc/67/16/28/1040671628.db2.gz CXQPRGNHGLRFIS-UHFFFAOYSA-N 1 1 300.446 4.343 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2[nH]ncc2C)C(C)(C)C)cc1 ZINC000685833212 1040765720 /nfs/dbraw/zinc/76/57/20/1040765720.db2.gz SLGJRGLHJGRVTB-UHFFFAOYSA-N 1 1 313.445 4.084 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2n[nH]cc2C)C(C)(C)C)cc1 ZINC000685833212 1040765738 /nfs/dbraw/zinc/76/57/38/1040765738.db2.gz SLGJRGLHJGRVTB-UHFFFAOYSA-N 1 1 313.445 4.084 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2n[nH]cc2C)C(C)(C)C)cc1 ZINC000685833212 1040765755 /nfs/dbraw/zinc/76/57/55/1040765755.db2.gz SLGJRGLHJGRVTB-UHFFFAOYSA-N 1 1 313.445 4.084 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)nc1 ZINC000581319220 1040849836 /nfs/dbraw/zinc/84/98/36/1040849836.db2.gz VHIJARDUMRDCPP-HXUWFJFHSA-N 1 1 317.436 4.461 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)nc1 ZINC000581319220 1040849853 /nfs/dbraw/zinc/84/98/53/1040849853.db2.gz VHIJARDUMRDCPP-HXUWFJFHSA-N 1 1 317.436 4.461 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000809544550 1041189205 /nfs/dbraw/zinc/18/92/05/1041189205.db2.gz MILPWJNJGRVMIR-GOSISDBHSA-N 1 1 316.404 4.189 20 30 DIEDMO C=CC1CC[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809575238 1041189571 /nfs/dbraw/zinc/18/95/71/1041189571.db2.gz WMSPLOUOOZMPDE-UHFFFAOYSA-N 1 1 310.228 4.039 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000809559307 1041191310 /nfs/dbraw/zinc/19/13/10/1041191310.db2.gz MPRKICAKGNVPED-FGZHOGPDSA-N 1 1 319.448 4.268 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cc1 ZINC000809624151 1041203356 /nfs/dbraw/zinc/20/33/56/1041203356.db2.gz HUSOVKSOZUDZBG-HNNXBMFYSA-N 1 1 318.203 4.198 20 30 DIEDMO C#C[C@@H](C)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl ZINC000809682832 1041224281 /nfs/dbraw/zinc/22/42/81/1041224281.db2.gz FINWJULPSJZFLD-SNVBAGLBSA-N 1 1 308.859 4.059 20 30 DIEDMO Clc1ccc(C#CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000177167077 1041243662 /nfs/dbraw/zinc/24/36/62/1041243662.db2.gz SPLRFISAPQSMCO-UHFFFAOYSA-N 1 1 316.857 4.207 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](CC)c2ccncc2)cc1 ZINC000809765097 1041251414 /nfs/dbraw/zinc/25/14/14/1041251414.db2.gz KXHDYXYSEOOOED-HXUWFJFHSA-N 1 1 308.425 4.067 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001158522743 1041276976 /nfs/dbraw/zinc/27/69/76/1041276976.db2.gz GDBCXEZPJAHGEH-HXUWFJFHSA-N 1 1 322.537 4.462 20 30 DIEDMO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000810148701 1041324847 /nfs/dbraw/zinc/32/48/47/1041324847.db2.gz XNIMOMDGLUIVLN-AWEZNQCLSA-N 1 1 305.834 4.299 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000810146811 1041325089 /nfs/dbraw/zinc/32/50/89/1041325089.db2.gz YANLQPORCBYKCN-UHFFFAOYSA-N 1 1 314.307 4.067 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1nccc2ccccc21 ZINC000810227226 1041342143 /nfs/dbraw/zinc/34/21/43/1041342143.db2.gz USRMQIAFODRANS-CYBMUJFWSA-N 1 1 305.356 4.096 20 30 DIEDMO C=CCCC(C)(C)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC001132193708 1041360498 /nfs/dbraw/zinc/36/04/98/1041360498.db2.gz VNIBSWHZRNEDHF-INIZCTEOSA-N 1 1 322.880 4.051 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000810495787 1041393773 /nfs/dbraw/zinc/39/37/73/1041393773.db2.gz JBOZMZNTELDMNW-QGZVFWFLSA-N 1 1 319.493 4.011 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000728711953 1041478935 /nfs/dbraw/zinc/47/89/35/1041478935.db2.gz RGDPPTKRDSKPCT-STQMWFEESA-N 1 1 316.351 4.106 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CCC(C#N)CC1 ZINC000930458967 1041485610 /nfs/dbraw/zinc/48/56/10/1041485610.db2.gz DNFHZVAROXAMEY-UHFFFAOYSA-N 1 1 314.477 4.172 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Br)C1CCC1 ZINC000481095580 1041527963 /nfs/dbraw/zinc/52/79/63/1041527963.db2.gz UERCCRAKHGPQCL-UHFFFAOYSA-N 1 1 307.235 4.084 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000811517406 1041529300 /nfs/dbraw/zinc/52/93/00/1041529300.db2.gz RKFAWPWPZYXYKU-INIZCTEOSA-N 1 1 314.772 4.021 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cncc2ccccc21)c1ccc(Cl)cc1 ZINC000811517477 1041530508 /nfs/dbraw/zinc/53/05/08/1041530508.db2.gz UAZDDSYVMQSLSP-LJQANCHMSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(Cl)cc1 ZINC000811516192 1041534991 /nfs/dbraw/zinc/53/49/91/1041534991.db2.gz GOVSAYGGXVSLTF-IBGZPJMESA-N 1 1 306.796 4.352 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC001170639549 1041547240 /nfs/dbraw/zinc/54/72/40/1041547240.db2.gz QGKNKXSICKJGJY-STXHMFSFSA-N 1 1 308.400 4.464 20 30 DIEDMO CCc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684216 1041640151 /nfs/dbraw/zinc/64/01/51/1041640151.db2.gz VXWIBKJXCUVVEP-HXUWFJFHSA-N 1 1 307.412 4.229 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812792556 1041645536 /nfs/dbraw/zinc/64/55/36/1041645536.db2.gz BQAWZHXFUMSPQO-INIZCTEOSA-N 1 1 307.290 4.309 20 30 DIEDMO C#Cc1ccc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)cc1 ZINC000812785535 1041646949 /nfs/dbraw/zinc/64/69/49/1041646949.db2.gz VJHCPOQQRHVMTK-UHFFFAOYSA-N 1 1 301.393 4.083 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000812795145 1041650695 /nfs/dbraw/zinc/65/06/95/1041650695.db2.gz NKBXMQNTOQHFEH-NRFANRHFSA-N 1 1 322.427 4.280 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CC2(c3ccccc3)CC2)cc1 ZINC000188715143 1041688114 /nfs/dbraw/zinc/68/81/14/1041688114.db2.gz ODVMYZQYNLQMRO-KRWDZBQOSA-N 1 1 320.436 4.141 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccc3)c2)CCC1 ZINC000418139678 1041731751 /nfs/dbraw/zinc/73/17/51/1041731751.db2.gz IGAUIYLNOXGVNQ-UHFFFAOYSA-N 1 1 306.409 4.049 20 30 DIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)cc1 ZINC000814640310 1041846877 /nfs/dbraw/zinc/84/68/77/1041846877.db2.gz BDPKCAUMFYOWDS-HXUWFJFHSA-N 1 1 320.436 4.141 20 30 DIEDMO CC1(C)[C@@H]2C[C@@H]([N@H+](CCC#N)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001170762601 1041862051 /nfs/dbraw/zinc/86/20/51/1041862051.db2.gz WGJOICZXIOSPSW-OSYLJGHBSA-N 1 1 302.849 4.490 20 30 DIEDMO CC1(C)[C@@H]2C[C@@H]([N@@H+](CCC#N)Cc3ccc(Cl)cc3)C[C@@H]21 ZINC001170762601 1041862057 /nfs/dbraw/zinc/86/20/57/1041862057.db2.gz WGJOICZXIOSPSW-OSYLJGHBSA-N 1 1 302.849 4.490 20 30 DIEDMO CCC(=[NH+]Nc1ccc(Br)cc1)c1cccc(N)c1 ZINC000814795977 1041867678 /nfs/dbraw/zinc/86/76/78/1041867678.db2.gz KNDJBUPVJBVQDT-UHFFFAOYSA-N 1 1 318.218 4.258 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1C(F)(F)F ZINC000125450677 1041876962 /nfs/dbraw/zinc/87/69/62/1041876962.db2.gz ZJFYFULVYIBAPH-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1C(F)(F)F ZINC000125450677 1041876968 /nfs/dbraw/zinc/87/69/68/1041876968.db2.gz ZJFYFULVYIBAPH-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO CC(C)c1cccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC001170769012 1041881765 /nfs/dbraw/zinc/88/17/65/1041881765.db2.gz KATIYZUZKXUDBA-UHFFFAOYSA-N 1 1 322.452 4.330 20 30 DIEDMO CCC(=[NH+]Nc1ccc(OC)cc1)c1ccc(Cl)c(N)c1 ZINC000814885224 1041889131 /nfs/dbraw/zinc/88/91/31/1041889131.db2.gz RYBAQYJUGULGKI-UHFFFAOYSA-N 1 1 303.793 4.157 20 30 DIEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)C(C)(C)C2 ZINC000815185534 1041927486 /nfs/dbraw/zinc/92/74/86/1041927486.db2.gz ILRLJGGXBNJHFY-UHFFFAOYSA-N 1 1 320.436 4.234 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199925 1041928921 /nfs/dbraw/zinc/92/89/21/1041928921.db2.gz FFMCQNITECEOEI-IAGOWNOFSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381015 1041929387 /nfs/dbraw/zinc/92/93/87/1041929387.db2.gz SXRLDILULXFKRQ-DOTOQJQBSA-N 1 1 311.429 4.010 20 30 DIEDMO C[N@H+]1Cc2ccc(NCc3ccc(C(C)(C)C#N)cc3)cc2C1 ZINC000594505767 1041932050 /nfs/dbraw/zinc/93/20/50/1041932050.db2.gz YQRQFSGWWVIASD-UHFFFAOYSA-N 1 1 305.425 4.045 20 30 DIEDMO C=C(C)C[N@@H+]1[C@H](C)CN(c2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC001170784421 1041949797 /nfs/dbraw/zinc/94/97/97/1041949797.db2.gz UTLLYCLYZVOBPJ-OKILXGFUSA-N 1 1 312.379 4.181 20 30 DIEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)C(C)(C)C ZINC000661756957 1041989828 /nfs/dbraw/zinc/98/98/28/1041989828.db2.gz ZCEHZVZNNIARRW-UHFFFAOYSA-N 1 1 305.809 4.177 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)C(C)(C)C ZINC000661760472 1041992089 /nfs/dbraw/zinc/99/20/89/1041992089.db2.gz VDJOQIXWVQIZKI-UHFFFAOYSA-N 1 1 306.475 4.024 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662085998 1042059102 /nfs/dbraw/zinc/05/91/02/1042059102.db2.gz NMXQZUDYZRQCTN-KFWWJZLASA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662085998 1042059111 /nfs/dbraw/zinc/05/91/11/1042059111.db2.gz NMXQZUDYZRQCTN-KFWWJZLASA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccsc2)oc1C ZINC000662084747 1042059476 /nfs/dbraw/zinc/05/94/76/1042059476.db2.gz VXZSPKZBOFFYFU-GASCZTMLSA-N 1 1 300.427 4.395 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000662082325 1042059500 /nfs/dbraw/zinc/05/95/00/1042059500.db2.gz TUTXIPQQUATLEZ-RWMBFGLXSA-N 1 1 301.415 4.042 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1sc(C)nc1C(F)(F)F ZINC000662090162 1042061662 /nfs/dbraw/zinc/06/16/62/1042061662.db2.gz KVKQTVWPJJMLRM-PHIMTYICSA-N 1 1 302.365 4.153 20 30 DIEDMO C[N@H+](Cc1ccc(SC(F)(F)F)cc1)CC(C)(C)C#N ZINC000816632740 1042077883 /nfs/dbraw/zinc/07/78/83/1042077883.db2.gz WRVXNUCDYQIBKK-UHFFFAOYSA-N 1 1 302.365 4.280 20 30 DIEDMO C[N@@H+](Cc1ccc(SC(F)(F)F)cc1)CC(C)(C)C#N ZINC000816632740 1042077887 /nfs/dbraw/zinc/07/78/87/1042077887.db2.gz WRVXNUCDYQIBKK-UHFFFAOYSA-N 1 1 302.365 4.280 20 30 DIEDMO COc1ccsc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872207 1042078480 /nfs/dbraw/zinc/07/84/80/1042078480.db2.gz QUKMOIIYCZCFJF-JKSUJKDBSA-N 1 1 312.438 4.028 20 30 DIEDMO COc1ccsc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872207 1042078489 /nfs/dbraw/zinc/07/84/89/1042078489.db2.gz QUKMOIIYCZCFJF-JKSUJKDBSA-N 1 1 312.438 4.028 20 30 DIEDMO CCc1ccc([C@@H](COC)[NH2+][C@H](CC)c2ccc(C#N)cc2)o1 ZINC000278871422 1042144534 /nfs/dbraw/zinc/14/45/34/1042144534.db2.gz WZTGVTHOATVFIH-QZTJIDSGSA-N 1 1 312.413 4.142 20 30 DIEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H](CC)c2ccc(C#N)cc2)o1 ZINC000278871428 1042144666 /nfs/dbraw/zinc/14/46/66/1042144666.db2.gz WZTGVTHOATVFIH-ZWKOTPCHSA-N 1 1 312.413 4.142 20 30 DIEDMO CCCCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001136166438 1042161904 /nfs/dbraw/zinc/16/19/04/1042161904.db2.gz LERYRYDHRNNFAC-SFHVURJKSA-N 1 1 308.510 4.260 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000584687751 1042213387 /nfs/dbraw/zinc/21/33/87/1042213387.db2.gz LUECFJVYIXMHSE-QRVBRYPASA-N 1 1 308.450 4.388 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CCC1 ZINC000931908495 1042283552 /nfs/dbraw/zinc/28/35/52/1042283552.db2.gz ADPDMHFRWJNPRW-AWEZNQCLSA-N 1 1 318.358 4.217 20 30 DIEDMO CCOCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822525436 1042288950 /nfs/dbraw/zinc/28/89/50/1042288950.db2.gz GRPQZSZUHPSJOJ-MRXNPFEDSA-N 1 1 324.424 4.124 20 30 DIEDMO C[C@H]1c2ccccc2OCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167866898 1042306742 /nfs/dbraw/zinc/30/67/42/1042306742.db2.gz BNIMXNFLZGYHHB-HNNXBMFYSA-N 1 1 311.812 4.147 20 30 DIEDMO C[C@H]1c2ccccc2OCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167866898 1042306746 /nfs/dbraw/zinc/30/67/46/1042306746.db2.gz BNIMXNFLZGYHHB-HNNXBMFYSA-N 1 1 311.812 4.147 20 30 DIEDMO N#CCC[N@H+](Cc1cc2oc3ccccc3c2cc1O)CC1CC1 ZINC000728904718 1042308216 /nfs/dbraw/zinc/30/82/16/1042308216.db2.gz VMPZTNCAIYBQSJ-UHFFFAOYSA-N 1 1 320.392 4.417 20 30 DIEDMO C[C@@H]1c2ccccc2OCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC001167867841 1042310091 /nfs/dbraw/zinc/31/00/91/1042310091.db2.gz LOFOJAZKGSADMV-OAHLLOKOSA-N 1 1 311.812 4.147 20 30 DIEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC001167867841 1042310094 /nfs/dbraw/zinc/31/00/94/1042310094.db2.gz LOFOJAZKGSADMV-OAHLLOKOSA-N 1 1 311.812 4.147 20 30 DIEDMO CC[N@H+](Cc1ccnc(Cl)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000823403924 1042324384 /nfs/dbraw/zinc/32/43/84/1042324384.db2.gz GFTWYUANAZQJHZ-GFCCVEGCSA-N 1 1 317.795 4.329 20 30 DIEDMO CC[N@@H+](Cc1ccnc(Cl)c1F)[C@H](C)c1ccc(C#N)cc1 ZINC000823403924 1042324390 /nfs/dbraw/zinc/32/43/90/1042324390.db2.gz GFTWYUANAZQJHZ-GFCCVEGCSA-N 1 1 317.795 4.329 20 30 DIEDMO CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000112543356 1042340811 /nfs/dbraw/zinc/34/08/11/1042340811.db2.gz BZNRIKDBXKFYPL-LSDHHAIUSA-N 1 1 301.459 4.281 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001206748566 1042383305 /nfs/dbraw/zinc/38/33/05/1042383305.db2.gz LOSBRWZFQSSFPM-UHFFFAOYSA-N 1 1 320.318 4.090 20 30 DIEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000573627115 1042411665 /nfs/dbraw/zinc/41/16/65/1042411665.db2.gz NFKAXUGFJAGHFM-UHFFFAOYSA-N 1 1 312.800 4.484 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000614160081 1042417969 /nfs/dbraw/zinc/41/79/69/1042417969.db2.gz BVJMVMRAFYJULL-HNNXBMFYSA-N 1 1 310.363 4.262 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160386 1042417996 /nfs/dbraw/zinc/41/79/96/1042417996.db2.gz XJGGLFXOWRMTCR-UHFFFAOYSA-N 1 1 322.452 4.136 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000614171353 1042421766 /nfs/dbraw/zinc/42/17/66/1042421766.db2.gz LETNWMNWNYACCC-LJQANCHMSA-N 1 1 305.425 4.220 20 30 DIEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176289 1042422339 /nfs/dbraw/zinc/42/23/39/1042422339.db2.gz TXMBAXZFFNUIOB-QGZVFWFLSA-N 1 1 302.487 4.205 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419280660 1042459592 /nfs/dbraw/zinc/45/95/92/1042459592.db2.gz AGNZYVXIBMJBAS-MRXNPFEDSA-N 1 1 306.400 4.302 20 30 DIEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692590 1042459681 /nfs/dbraw/zinc/45/96/81/1042459681.db2.gz KWGOPRBPKBUSAC-DOMZBBRYSA-N 1 1 314.326 4.268 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CC[C@@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692590 1042459683 /nfs/dbraw/zinc/45/96/83/1042459683.db2.gz KWGOPRBPKBUSAC-DOMZBBRYSA-N 1 1 314.326 4.268 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419308371 1042465146 /nfs/dbraw/zinc/46/51/46/1042465146.db2.gz FGAZMUHIPZEVRB-GOSISDBHSA-N 1 1 300.446 4.250 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000614396152 1042490008 /nfs/dbraw/zinc/49/00/08/1042490008.db2.gz ZOFCARXZHDSHIQ-CYBMUJFWSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000614402310 1042492060 /nfs/dbraw/zinc/49/20/60/1042492060.db2.gz RQYUEOIQDTUEJR-GOSISDBHSA-N 1 1 322.477 4.481 20 30 DIEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000421007524 1042620089 /nfs/dbraw/zinc/62/00/89/1042620089.db2.gz HNRFRMRTTUOFNT-CVEARBPZSA-N 1 1 322.493 4.006 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cc(F)ccc3F)CC2)cc1 ZINC000502493988 1042630585 /nfs/dbraw/zinc/63/05/85/1042630585.db2.gz HHOZINTULVFMKR-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cc(F)ccc3F)CC2)cc1 ZINC000502493988 1042630589 /nfs/dbraw/zinc/63/05/89/1042630589.db2.gz HHOZINTULVFMKR-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000513881748 1042760027 /nfs/dbraw/zinc/76/00/27/1042760027.db2.gz VLYSSSZYFIICEZ-MRXNPFEDSA-N 1 1 304.384 4.348 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000425365468 1042798014 /nfs/dbraw/zinc/79/80/14/1042798014.db2.gz KTPJREQTJPYVJH-ZDUSSCGKSA-N 1 1 311.454 4.475 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000425365468 1042798020 /nfs/dbraw/zinc/79/80/20/1042798020.db2.gz KTPJREQTJPYVJH-ZDUSSCGKSA-N 1 1 311.454 4.475 20 30 DIEDMO C=CC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001269961078 1042801654 /nfs/dbraw/zinc/80/16/54/1042801654.db2.gz UENWJGWMLQFOKR-VJANTYMQSA-N 1 1 320.521 4.090 20 30 DIEDMO Cc1ccccc1C1CC([N@@H+](Cc2ccc(C#N)cn2)C2CC2)C1 ZINC000515178484 1042812327 /nfs/dbraw/zinc/81/23/27/1042812327.db2.gz RLOWEPJTWGTMTK-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000516941869 1042861357 /nfs/dbraw/zinc/86/13/57/1042861357.db2.gz WCNDPZZNIRUMGH-QGZVFWFLSA-N 1 1 303.446 4.031 20 30 DIEDMO Cc1ccncc1CCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000517057176 1042864961 /nfs/dbraw/zinc/86/49/61/1042864961.db2.gz JVJWWICXWYCMCO-LEWJYISDSA-N 1 1 319.452 4.094 20 30 DIEDMO COCC[N@@H+](CCCC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001307453880 1042870010 /nfs/dbraw/zinc/87/00/10/1042870010.db2.gz AAEZQBFQTKTZRX-UHFFFAOYSA-N 1 1 314.473 4.367 20 30 DIEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167970422 1042961579 /nfs/dbraw/zinc/96/15/79/1042961579.db2.gz KLMACNMDMFOFRK-OTYNDTSQSA-N 1 1 323.484 4.004 20 30 DIEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167970422 1042961586 /nfs/dbraw/zinc/96/15/86/1042961586.db2.gz KLMACNMDMFOFRK-OTYNDTSQSA-N 1 1 323.484 4.004 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1[N+](=O)[O-] ZINC000507152689 1042982054 /nfs/dbraw/zinc/98/20/54/1042982054.db2.gz YFLMALLDLFENSH-UHFFFAOYSA-N 1 1 323.396 4.186 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332727 1043037632 /nfs/dbraw/zinc/03/76/32/1043037632.db2.gz RTGOPHWHZWUTPZ-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332727 1043037639 /nfs/dbraw/zinc/03/76/39/1043037639.db2.gz RTGOPHWHZWUTPZ-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341513 1043039728 /nfs/dbraw/zinc/03/97/28/1043039728.db2.gz ODDJYJIECZHJCK-FOIQADDNSA-N 1 1 324.399 4.159 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000441348414 1043040073 /nfs/dbraw/zinc/04/00/73/1043040073.db2.gz CEGVOVASNZTGBL-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000173899424 1043055001 /nfs/dbraw/zinc/05/50/01/1043055001.db2.gz RPAXSCLKFISWID-QGZVFWFLSA-N 1 1 319.452 4.005 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccncc1 ZINC000865464872 1043101800 /nfs/dbraw/zinc/10/18/00/1043101800.db2.gz QJXHOIUKUABBCS-CQSZACIVSA-N 1 1 301.459 4.243 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533820 1043157070 /nfs/dbraw/zinc/15/70/70/1043157070.db2.gz QSUVNVCDWMEIPM-NHCUHLMSSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533820 1043157074 /nfs/dbraw/zinc/15/70/74/1043157074.db2.gz QSUVNVCDWMEIPM-NHCUHLMSSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1OC1CCC1)c1cccc(C#N)c1O ZINC000866297910 1043175731 /nfs/dbraw/zinc/17/57/31/1043175731.db2.gz OXXSPOQTFHLBCO-AWEZNQCLSA-N 1 1 322.408 4.046 20 30 DIEDMO N#CCCC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866363459 1043189962 /nfs/dbraw/zinc/18/99/62/1043189962.db2.gz LPNDGOCGRJJDOJ-HBFSDRIKSA-N 1 1 324.399 4.483 20 30 DIEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487396758 1043245041 /nfs/dbraw/zinc/24/50/41/1043245041.db2.gz MYKQIFUANPSMDC-HNNXBMFYSA-N 1 1 304.503 4.451 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000266860722 1043302486 /nfs/dbraw/zinc/30/24/86/1043302486.db2.gz JRMJWWKPUDUPCZ-SFHVURJKSA-N 1 1 312.800 4.189 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000266860722 1043302495 /nfs/dbraw/zinc/30/24/95/1043302495.db2.gz JRMJWWKPUDUPCZ-SFHVURJKSA-N 1 1 312.800 4.189 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267846745 1043309524 /nfs/dbraw/zinc/30/95/24/1043309524.db2.gz DCEPZKALXFMASS-INIZCTEOSA-N 1 1 300.446 4.119 20 30 DIEDMO CC(C)C[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000521189746 1043370696 /nfs/dbraw/zinc/37/06/96/1043370696.db2.gz QLLNMSABHRJKGF-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000521189746 1043370699 /nfs/dbraw/zinc/37/06/99/1043370699.db2.gz QLLNMSABHRJKGF-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO C#CC[C@@H]([NH2+][C@H](C)c1nc2c(s1)CCCC2)c1ccccc1 ZINC000271408249 1043413691 /nfs/dbraw/zinc/41/36/91/1043413691.db2.gz AIMXSKYAPYRBPO-GDBMZVCRSA-N 1 1 310.466 4.437 20 30 DIEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1ccccc1 ZINC000271408252 1043414711 /nfs/dbraw/zinc/41/47/11/1043414711.db2.gz AIMXSKYAPYRBPO-GOEBONIOSA-N 1 1 310.466 4.437 20 30 DIEDMO C=CCCOCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925632275 1043441306 /nfs/dbraw/zinc/44/13/06/1043441306.db2.gz QJWZWKGKVZOUFV-HXUWFJFHSA-N 1 1 322.408 4.100 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000558165260 1043448032 /nfs/dbraw/zinc/44/80/32/1043448032.db2.gz DJCIVIIATRAVAO-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000558165255 1043448320 /nfs/dbraw/zinc/44/83/20/1043448320.db2.gz DJCIVIIATRAVAO-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000442900945 1043453372 /nfs/dbraw/zinc/45/33/72/1043453372.db2.gz SPWGVUQVRPDLLD-WMZOPIPTSA-N 1 1 306.409 4.020 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000353916866 1043489513 /nfs/dbraw/zinc/48/95/13/1043489513.db2.gz RHMMYLZSVBIKFK-CYBMUJFWSA-N 1 1 305.834 4.321 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1ncc(Cl)s1)c1ccccc1 ZINC000353916867 1043490292 /nfs/dbraw/zinc/49/02/92/1043490292.db2.gz RHMMYLZSVBIKFK-ZDUSSCGKSA-N 1 1 305.834 4.321 20 30 DIEDMO N#CC1(CC[N@H+]2CCC[C@@H](OC3CCC3)CC2)CCCCC1 ZINC000872282989 1043490693 /nfs/dbraw/zinc/49/06/93/1043490693.db2.gz ZUMSUFYTFAMAEO-GOSISDBHSA-N 1 1 304.478 4.274 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069973 1043529338 /nfs/dbraw/zinc/52/93/38/1043529338.db2.gz XRYRSMFOBXWXGC-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001320899203 1043531254 /nfs/dbraw/zinc/53/12/54/1043531254.db2.gz QSRVISVJTWZZIN-YPMHNXCESA-N 1 1 300.229 4.331 20 30 DIEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001320899203 1043531278 /nfs/dbraw/zinc/53/12/78/1043531278.db2.gz QSRVISVJTWZZIN-YPMHNXCESA-N 1 1 300.229 4.331 20 30 DIEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000522131524 1043546131 /nfs/dbraw/zinc/54/61/31/1043546131.db2.gz IPVKQWDZOUTNPT-HXUWFJFHSA-N 1 1 316.489 4.049 20 30 DIEDMO N#CCC1(C[NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)CC1 ZINC000926343841 1043568206 /nfs/dbraw/zinc/56/82/06/1043568206.db2.gz GYHCYDAYFCVZPO-IBGZPJMESA-N 1 1 317.392 4.201 20 30 DIEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC=C(C)C ZINC001275067109 1043569964 /nfs/dbraw/zinc/56/99/64/1043569964.db2.gz OGAYUIQMEHYFSJ-ICSRJNTNSA-N 1 1 318.505 4.012 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001275093234 1043572100 /nfs/dbraw/zinc/57/21/00/1043572100.db2.gz JWSBDQSTMYPMSN-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO CC(C)n1cc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001137077777 1043575944 /nfs/dbraw/zinc/57/59/44/1043575944.db2.gz 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C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)cc1 ZINC000361060540 1044353966 /nfs/dbraw/zinc/35/39/66/1044353966.db2.gz QCHPAISPXNKCOZ-SFHVURJKSA-N 1 1 314.454 4.353 20 30 DIEDMO C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564718468 1044400414 /nfs/dbraw/zinc/40/04/14/1044400414.db2.gz JHHAXDBCNIPLLE-PKOBYXMFSA-N 1 1 300.490 4.089 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)nc1 ZINC000565458047 1044436698 /nfs/dbraw/zinc/43/66/98/1044436698.db2.gz LWZSUGACCQSOHY-JNSUZQQQSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)nc1 ZINC000565458050 1044437617 /nfs/dbraw/zinc/43/76/17/1044437617.db2.gz LWZSUGACCQSOHY-ZOXUKVPXSA-N 1 1 317.436 4.411 20 30 DIEDMO CC(C)(CC#N)CS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000565844950 1044458758 /nfs/dbraw/zinc/45/87/58/1044458758.db2.gz GDLKILBIESAPNF-QGZVFWFLSA-N 1 1 302.487 4.324 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860211 1044461129 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C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC1CC1 ZINC000444591235 1044571229 /nfs/dbraw/zinc/57/12/29/1044571229.db2.gz MUELLCYAWXJYCD-UHFFFAOYSA-N 1 1 304.437 4.228 20 30 DIEDMO Cc1ccc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)ccc2c1 ZINC001137218819 1044574948 /nfs/dbraw/zinc/57/49/48/1044574948.db2.gz NCWRXANJZOPJRI-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000444652871 1044584982 /nfs/dbraw/zinc/58/49/82/1044584982.db2.gz KIXXOUMELJXGJB-IEBWSBKVSA-N 1 1 314.473 4.477 20 30 DIEDMO COc1cncc(/C=C/CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000567790201 1044586248 /nfs/dbraw/zinc/58/62/48/1044586248.db2.gz RTKSTOOIAIYZCW-IEXSPKMKSA-N 1 1 321.424 4.058 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000444641141 1044589158 /nfs/dbraw/zinc/58/91/58/1044589158.db2.gz OUJBODUQSXEWCU-QGZVFWFLSA-N 1 1 302.437 4.410 20 30 DIEDMO CC[C@@](C)(O)C[N@@H+](CCCCC(C)(C)C#N)Cc1ccccc1 ZINC000444685852 1044590501 /nfs/dbraw/zinc/59/05/01/1044590501.db2.gz 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C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275879434 1044661640 /nfs/dbraw/zinc/66/16/40/1044661640.db2.gz DPMJEPRPWBYZCH-PXNSSMCTSA-N 1 1 320.521 4.092 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000568997821 1044663792 /nfs/dbraw/zinc/66/37/92/1044663792.db2.gz ZDVSSFPNYMBIEI-INIZCTEOSA-N 1 1 305.425 4.459 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccc(F)c(F)c1 ZINC000886593903 1044665646 /nfs/dbraw/zinc/66/56/46/1044665646.db2.gz BKWNTJJGPQOXTO-IRXDYDNUSA-N 1 1 300.352 4.254 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(O)cccc1F ZINC000886626598 1044670981 /nfs/dbraw/zinc/67/09/81/1044670981.db2.gz GUNGYTLJHWNEGY-YVEFUNNKSA-N 1 1 310.372 4.131 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1c(O)cccc1F ZINC000886626597 1044671174 /nfs/dbraw/zinc/67/11/74/1044671174.db2.gz GUNGYTLJHWNEGY-SJKOYZFVSA-N 1 1 310.372 4.131 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000072517840 1044672686 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C=CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC001168086476 1044904853 /nfs/dbraw/zinc/90/48/53/1044904853.db2.gz QMBDUTLZFISHAJ-QQXKLLMISA-N 1 1 320.521 4.137 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000372433094 1044914948 /nfs/dbraw/zinc/91/49/48/1044914948.db2.gz AMJNICIJESRVKM-MRXNPFEDSA-N 1 1 300.427 4.045 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC000372433094 1044914966 /nfs/dbraw/zinc/91/49/66/1044914966.db2.gz AMJNICIJESRVKM-MRXNPFEDSA-N 1 1 300.427 4.045 20 30 DIEDMO FC(F)(F)CC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000573941271 1044931784 /nfs/dbraw/zinc/93/17/84/1044931784.db2.gz ZTTMVIIEXXDNHW-UHFFFAOYSA-N 1 1 315.766 4.356 20 30 DIEDMO COc1ccc(Oc2ccc(C[N@H+](C)CC(C)(C)C#N)cc2)cc1 ZINC000574778209 1044971366 /nfs/dbraw/zinc/97/13/66/1044971366.db2.gz WDYZCMCKBFBWKX-UHFFFAOYSA-N 1 1 324.424 4.469 20 30 DIEDMO COc1ccc(Oc2ccc(C[N@@H+](C)CC(C)(C)C#N)cc2)cc1 ZINC000574778209 1044971379 /nfs/dbraw/zinc/97/13/79/1044971379.db2.gz 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COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1F)C(C)C ZINC000446767394 1045032476 /nfs/dbraw/zinc/03/24/76/1045032476.db2.gz VEUPDTYRBWFZDJ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1F)C(C)C ZINC000446767394 1045032480 /nfs/dbraw/zinc/03/24/80/1045032480.db2.gz VEUPDTYRBWFZDJ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C[N@@H+](CCCSCC#N)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412017437 1045045323 /nfs/dbraw/zinc/04/53/23/1045045323.db2.gz ZFIHXPVRTRRPOV-MSOLQXFVSA-N 1 1 302.487 4.291 20 30 DIEDMO CC(C)c1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c2ccccn21 ZINC000576470873 1045058580 /nfs/dbraw/zinc/05/85/80/1045058580.db2.gz SWSUEMJXICNQGQ-OAHLLOKOSA-N 1 1 318.424 4.180 20 30 DIEDMO CC(C)c1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccccn21 ZINC000576470871 1045060330 /nfs/dbraw/zinc/06/03/30/1045060330.db2.gz SWSUEMJXICNQGQ-HNNXBMFYSA-N 1 1 318.424 4.180 20 30 DIEDMO C=CCCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412323626 1045076661 /nfs/dbraw/zinc/07/66/61/1045076661.db2.gz 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C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916403 1045835645 /nfs/dbraw/zinc/83/56/45/1045835645.db2.gz XJMSLIONZXVETH-HOTGVXAUSA-N 1 1 314.454 4.240 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000801923627 1045843181 /nfs/dbraw/zinc/84/31/81/1045843181.db2.gz LQTKAKZZRQWQEV-IRXDYDNUSA-N 1 1 308.425 4.275 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000754155024 1045856557 /nfs/dbraw/zinc/85/65/57/1045856557.db2.gz UGFWIUQTQHNRJK-HNNXBMFYSA-N 1 1 312.388 4.057 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953933 1045858429 /nfs/dbraw/zinc/85/84/29/1045858429.db2.gz YYZKZQNYSWNPDB-KSSFIOAISA-N 1 1 320.864 4.432 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000754715612 1045918882 /nfs/dbraw/zinc/91/88/82/1045918882.db2.gz ZAWJDCXEYZBRAA-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(Cl)cc2)c(C#N)c1 ZINC001137704765 1045940299 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CC(C)c1[nH+]c(/C=C2\COc3ccccc3C2=O)c2ccccn21 ZINC000755626016 1046003720 /nfs/dbraw/zinc/00/37/20/1046003720.db2.gz IPNFROOTXMAELX-SDNWHVSQSA-N 1 1 318.376 4.116 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC001137904076 1046005111 /nfs/dbraw/zinc/00/51/11/1046005111.db2.gz LKVYDGHQJZLWFV-HXUWFJFHSA-N 1 1 323.415 4.260 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC3(CC3)C2)cc1 ZINC001137899799 1046005591 /nfs/dbraw/zinc/00/55/91/1046005591.db2.gz GSBPMKHAGJKUPL-UHFFFAOYSA-N 1 1 317.436 4.312 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000802657386 1046026476 /nfs/dbraw/zinc/02/64/76/1046026476.db2.gz ZFQNZXNTIPFUGG-OXJNMPFZSA-N 1 1 324.399 4.048 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2nc1Cl ZINC001137977250 1046042724 /nfs/dbraw/zinc/04/27/24/1046042724.db2.gz CTGQKQKQHUWLSN-DVSIDAKKSA-N 1 1 311.816 4.155 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2nc1Cl ZINC001137977250 1046042736 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CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC000195732470 1046132920 /nfs/dbraw/zinc/13/29/20/1046132920.db2.gz PFHNUNNZDYAXLY-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC000195733022 1046134062 /nfs/dbraw/zinc/13/40/62/1046134062.db2.gz YXDRWVWUKUTVEY-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000902987682 1046137294 /nfs/dbraw/zinc/13/72/94/1046137294.db2.gz JZOMCWKOVRIYSO-BDJLRTHQSA-N 1 1 301.340 4.033 20 30 DIEDMO COc1ccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000083536616 1046138136 /nfs/dbraw/zinc/13/81/36/1046138136.db2.gz CSIKFBYRFZSARW-LFYBBSHMSA-N 1 1 318.376 4.085 20 30 DIEDMO Cc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)sc1Br ZINC000903035408 1046145013 /nfs/dbraw/zinc/14/50/13/1046145013.db2.gz OPEQABLKROGWAV-SNVBAGLBSA-N 1 1 313.264 4.164 20 30 DIEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000756899454 1046148968 /nfs/dbraw/zinc/14/89/68/1046148968.db2.gz HAWUFXKJSQQVAO-SFHVURJKSA-N 1 1 301.455 4.250 20 30 DIEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336695 1046153140 /nfs/dbraw/zinc/15/31/40/1046153140.db2.gz WHFSTIJPBRLLTN-JOCHJYFZSA-N 1 1 319.448 4.087 20 30 DIEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@@H](C)C1 ZINC001138336044 1046153297 /nfs/dbraw/zinc/15/32/97/1046153297.db2.gz IMJUPWFRTDMTHK-PGRDOPGGSA-N 1 1 319.448 4.086 20 30 DIEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001168148090 1046154494 /nfs/dbraw/zinc/15/44/94/1046154494.db2.gz YPGCKYRUSHBSEH-RQWLHQTBSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1cnccc1C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC001168148090 1046154496 /nfs/dbraw/zinc/15/44/96/1046154496.db2.gz YPGCKYRUSHBSEH-RQWLHQTBSA-N 1 1 317.436 4.411 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccccc1 ZINC000756996760 1046157021 /nfs/dbraw/zinc/15/70/21/1046157021.db2.gz RHBPWCOYNZNLDJ-MRXNPFEDSA-N 1 1 323.827 4.081 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000756995019 1046157149 /nfs/dbraw/zinc/15/71/49/1046157149.db2.gz BZLPTSSGSZYZHU-IBGZPJMESA-N 1 1 302.377 4.196 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1 ZINC000756995963 1046158176 /nfs/dbraw/zinc/15/81/76/1046158176.db2.gz BJZZIQGOUNFDAL-QGZVFWFLSA-N 1 1 314.226 4.303 20 30 DIEDMO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903099903 1046163702 /nfs/dbraw/zinc/16/37/02/1046163702.db2.gz BSYFFOSIDLHLKW-LLVKDONJSA-N 1 1 317.433 4.458 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000903108372 1046165827 /nfs/dbraw/zinc/16/58/27/1046165827.db2.gz AXLHCDBLWHYHRQ-HNNXBMFYSA-N 1 1 323.362 4.151 20 30 DIEDMO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106577 1046166320 /nfs/dbraw/zinc/16/63/20/1046166320.db2.gz RSBKJEFVBREGJC-NSHDSACASA-N 1 1 315.417 4.212 20 30 DIEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000757405321 1046174810 /nfs/dbraw/zinc/17/48/10/1046174810.db2.gz LCBZJJZQOUPIRW-INIZCTEOSA-N 1 1 307.846 4.036 20 30 DIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000757405321 1046174819 /nfs/dbraw/zinc/17/48/19/1046174819.db2.gz LCBZJJZQOUPIRW-INIZCTEOSA-N 1 1 307.846 4.036 20 30 DIEDMO CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001138443370 1046182770 /nfs/dbraw/zinc/18/27/70/1046182770.db2.gz AGZSDVMCTDQYNQ-MRXNPFEDSA-N 1 1 308.425 4.364 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nccn1CC)c1cccc(Cl)c1 ZINC000903177796 1046184988 /nfs/dbraw/zinc/18/49/88/1046184988.db2.gz BZUHIKZQEQXOSO-MRXNPFEDSA-N 1 1 303.837 4.354 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cccc(Cl)c1 ZINC000903185400 1046186666 /nfs/dbraw/zinc/18/66/66/1046186666.db2.gz JBDHMZSUSMVCPP-QGZVFWFLSA-N 1 1 303.837 4.354 20 30 DIEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)C2CCCC2)cc1 ZINC001138450840 1046187471 /nfs/dbraw/zinc/18/74/71/1046187471.db2.gz KFNLSQZAKGPFMP-UHFFFAOYSA-N 1 1 308.429 4.043 20 30 DIEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001138450840 1046187481 /nfs/dbraw/zinc/18/74/81/1046187481.db2.gz KFNLSQZAKGPFMP-UHFFFAOYSA-N 1 1 308.429 4.043 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1 ZINC001138559062 1046224833 /nfs/dbraw/zinc/22/48/33/1046224833.db2.gz NOUSDJDKLHNOSF-FQEVSTJZSA-N 1 1 309.384 4.175 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297738 1046228735 /nfs/dbraw/zinc/22/87/35/1046228735.db2.gz JMZVFBJVGNAMBC-UTKZUKDTSA-N 1 1 319.452 4.390 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297735 1046228999 /nfs/dbraw/zinc/22/89/99/1046228999.db2.gz JMZVFBJVGNAMBC-DYESRHJHSA-N 1 1 319.452 4.390 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000245501450 1046237608 /nfs/dbraw/zinc/23/76/08/1046237608.db2.gz CUCRLNYSVLDOHP-XLIONFOSSA-N 1 1 320.436 4.185 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000163365666 1046238624 /nfs/dbraw/zinc/23/86/24/1046238624.db2.gz QIAJUOHEPCCCME-GFCCVEGCSA-N 1 1 316.626 4.005 20 30 DIEDMO COc1ccc(-c2cccc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC001138617984 1046244970 /nfs/dbraw/zinc/24/49/70/1046244970.db2.gz PEQZNTHAMYKZSG-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c2)cc1 ZINC001138617984 1046244979 /nfs/dbraw/zinc/24/49/79/1046244979.db2.gz PEQZNTHAMYKZSG-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1O ZINC001138627613 1046245692 /nfs/dbraw/zinc/24/56/92/1046245692.db2.gz BYMLSLUDXVXBFA-QGZVFWFLSA-N 1 1 311.400 4.249 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1O ZINC001138628199 1046246030 /nfs/dbraw/zinc/24/60/30/1046246030.db2.gz QJFDTCFBQAQDHN-KRWDZBQOSA-N 1 1 311.400 4.249 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccccc2Cl)c1O ZINC001138628986 1046246973 /nfs/dbraw/zinc/24/69/73/1046246973.db2.gz KCLOXBYNHSIYPT-UHFFFAOYSA-N 1 1 301.817 4.406 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCCc3ccc(OC)cc3C2)c1O ZINC001138631511 1046250301 /nfs/dbraw/zinc/25/03/01/1046250301.db2.gz UNICVZYTYLFWJQ-UHFFFAOYSA-N 1 1 323.436 4.078 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC001138661883 1046260384 /nfs/dbraw/zinc/26/03/84/1046260384.db2.gz IAYUNHCWXMUPOJ-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001138664293 1046260735 /nfs/dbraw/zinc/26/07/35/1046260735.db2.gz MBLYIGMOMXCHSI-OAHLLOKOSA-N 1 1 313.363 4.416 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000245718275 1046261730 /nfs/dbraw/zinc/26/17/30/1046261730.db2.gz HMLQTPBKZKFWDP-QKLQHJQFSA-N 1 1 320.436 4.355 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)cc1 ZINC000245718261 1046262907 /nfs/dbraw/zinc/26/29/07/1046262907.db2.gz HMLQTPBKZKFWDP-HLIPFELVSA-N 1 1 320.436 4.355 20 30 DIEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245740540 1046263851 /nfs/dbraw/zinc/26/38/51/1046263851.db2.gz LQGBCRZPOXWFAR-QAPCUYQASA-N 1 1 318.486 4.085 20 30 DIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000245963564 1046290120 /nfs/dbraw/zinc/29/01/20/1046290120.db2.gz DBWRIYVZAOMCNN-NHCUHLMSSA-N 1 1 320.436 4.209 20 30 DIEDMO Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862985 1046312700 /nfs/dbraw/zinc/31/27/00/1046312700.db2.gz WQFDJPHCJHWZBS-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2cc(C[N@H+]3CCC[C@@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862985 1046312713 /nfs/dbraw/zinc/31/27/13/1046312713.db2.gz WQFDJPHCJHWZBS-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@@H+]3CCC[C@H](C#N)C3)ccc21 ZINC001138918306 1046325860 /nfs/dbraw/zinc/32/58/60/1046325860.db2.gz BKAHOZLWMDIYRB-MRXNPFEDSA-N 1 1 303.409 4.067 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](C#N)C3)ccc21 ZINC001138918306 1046325871 /nfs/dbraw/zinc/32/58/71/1046325871.db2.gz BKAHOZLWMDIYRB-MRXNPFEDSA-N 1 1 303.409 4.067 20 30 DIEDMO CCCCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001138954718 1046336877 /nfs/dbraw/zinc/33/68/77/1046336877.db2.gz ZFYUTFCBVHORHG-UHFFFAOYSA-N 1 1 308.425 4.369 20 30 DIEDMO CC(C)(C)C1=CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000759269661 1046340183 /nfs/dbraw/zinc/34/01/83/1046340183.db2.gz UJCXIQNFEVLLNU-UHFFFAOYSA-N 1 1 318.848 4.421 20 30 DIEDMO CC(C)(C)C1=CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000759269661 1046340194 /nfs/dbraw/zinc/34/01/94/1046340194.db2.gz UJCXIQNFEVLLNU-UHFFFAOYSA-N 1 1 318.848 4.421 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001138958690 1046341522 /nfs/dbraw/zinc/34/15/22/1046341522.db2.gz GIMYXPMEXHTCAT-AWEZNQCLSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001138958690 1046341533 /nfs/dbraw/zinc/34/15/33/1046341533.db2.gz GIMYXPMEXHTCAT-AWEZNQCLSA-N 1 1 306.837 4.253 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001139029820 1046363563 /nfs/dbraw/zinc/36/35/63/1046363563.db2.gz QEVKPXKBESVAOE-HXUWFJFHSA-N 1 1 323.436 4.043 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001139029693 1046364679 /nfs/dbraw/zinc/36/46/79/1046364679.db2.gz HEZGLSLLHMCCBJ-FQEVSTJZSA-N 1 1 323.436 4.043 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001139029819 1046365596 /nfs/dbraw/zinc/36/55/96/1046365596.db2.gz QEVKPXKBESVAOE-FQEVSTJZSA-N 1 1 323.436 4.043 20 30 DIEDMO CCn1ccc2c1cccc2C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001139153992 1046396378 /nfs/dbraw/zinc/39/63/78/1046396378.db2.gz YSBJIMNNRGBGRC-UHFFFAOYSA-N 1 1 315.420 4.091 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1 ZINC000748801914 1046408036 /nfs/dbraw/zinc/40/80/36/1046408036.db2.gz BOHJUBRVZCZNCG-UHFFFAOYSA-N 1 1 313.832 4.265 20 30 DIEDMO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)s2)cc1 ZINC001139289113 1046425961 /nfs/dbraw/zinc/42/59/61/1046425961.db2.gz GECQVLXGGQEEKL-SFHVURJKSA-N 1 1 312.438 4.159 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)s2)cc1 ZINC001139289113 1046425964 /nfs/dbraw/zinc/42/59/64/1046425964.db2.gz GECQVLXGGQEEKL-SFHVURJKSA-N 1 1 312.438 4.159 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639863373 1046432249 /nfs/dbraw/zinc/43/22/49/1046432249.db2.gz HUFDPJMYAFRUAP-NMWPEEMBSA-N 1 1 315.379 4.107 20 30 DIEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001139362527 1046438313 /nfs/dbraw/zinc/43/83/13/1046438313.db2.gz YKFAXBYZJVMGEM-SFHVURJKSA-N 1 1 308.510 4.260 20 30 DIEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401505 1046443534 /nfs/dbraw/zinc/44/35/34/1046443534.db2.gz AUIQELXDQHDVEW-FQEVSTJZSA-N 1 1 323.415 4.334 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CCCCC1 ZINC001139400397 1046443886 /nfs/dbraw/zinc/44/38/86/1046443886.db2.gz QQFKYSJGLBRGLC-UHFFFAOYSA-N 1 1 305.425 4.385 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@H]1C ZINC001139402530 1046444237 /nfs/dbraw/zinc/44/42/37/1046444237.db2.gz TYHFODVDAJRKBN-IAGOWNOFSA-N 1 1 319.452 4.488 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H]1C ZINC001139425305 1046448611 /nfs/dbraw/zinc/44/86/11/1046448611.db2.gz IYFRADWXLYWONS-HOTGVXAUSA-N 1 1 321.424 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/nfs/dbraw/zinc/51/46/95/1047514695.db2.gz DCBDBNGOGUFDBO-FQEVSTJZSA-N 1 1 316.408 4.162 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@H](c4ccccc4F)C3)c[nH]c2c1 ZINC001142921479 1047515116 /nfs/dbraw/zinc/51/51/16/1047515116.db2.gz ONCMVAIGAYJLJD-HNNXBMFYSA-N 1 1 319.383 4.168 20 30 DIEDMO CC1(C)C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)Cc2ccccc21 ZINC001142922631 1047515141 /nfs/dbraw/zinc/51/51/41/1047515141.db2.gz OQJVRRCMFMZPDN-UHFFFAOYSA-N 1 1 315.420 4.333 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000121275793 1047516451 /nfs/dbraw/zinc/51/64/51/1047516451.db2.gz FNNRWURDNKURJS-GFCCVEGCSA-N 1 1 300.789 4.071 20 30 DIEDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092064080 1047527227 /nfs/dbraw/zinc/52/72/27/1047527227.db2.gz BWDYZPSQHDCYLK-SFHVURJKSA-N 1 1 318.486 4.087 20 30 DIEDMO N#CCC[N@H+](Cc1ccc2nccn2c1)C1CCCCCCC1 ZINC001143029379 1047527308 /nfs/dbraw/zinc/52/73/08/1047527308.db2.gz XGQCBLGRCMDXDQ-UHFFFAOYSA-N 1 1 310.445 4.163 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2nccn2c1)C1CCCCCCC1 ZINC001143029379 1047527315 /nfs/dbraw/zinc/52/73/15/1047527315.db2.gz XGQCBLGRCMDXDQ-UHFFFAOYSA-N 1 1 310.445 4.163 20 30 DIEDMO CCC[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143171006 1047537115 /nfs/dbraw/zinc/53/71/15/1047537115.db2.gz OKALNPRRUHHBHT-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143171006 1047537125 /nfs/dbraw/zinc/53/71/25/1047537125.db2.gz OKALNPRRUHHBHT-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C12CC3CC(CC(C3)C1)C2 ZINC001143170248 1047537717 /nfs/dbraw/zinc/53/77/17/1047537717.db2.gz DKGBVTILGPOAOG-UHFFFAOYSA-N 1 1 316.395 4.237 20 30 DIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093315560 1047545660 /nfs/dbraw/zinc/54/56/60/1047545660.db2.gz RKZHEBWZOFTJSC-INIZCTEOSA-N 1 1 324.424 4.268 20 30 DIEDMO FC(F)(F)c1cccc(Cl)c1C[NH+]1CCC(S)CC1 ZINC001143288377 1047548419 /nfs/dbraw/zinc/54/84/19/1047548419.db2.gz GGYOOQSOVLQPGN-UHFFFAOYSA-N 1 1 309.784 4.253 20 30 DIEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454245 1047548289 /nfs/dbraw/zinc/54/82/89/1047548289.db2.gz AYEZYRABSXGPSC-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000093454245 1047548295 /nfs/dbraw/zinc/54/82/95/1047548295.db2.gz AYEZYRABSXGPSC-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000843423937 1047549842 /nfs/dbraw/zinc/54/98/42/1047549842.db2.gz MBNUAPDHDYSYKJ-CYBMUJFWSA-N 1 1 302.468 4.107 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000537647267 1047557150 /nfs/dbraw/zinc/55/71/50/1047557150.db2.gz IVTXIWFGSNMXEE-QGZVFWFLSA-N 1 1 300.402 4.486 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1 ZINC000537647267 1047557159 /nfs/dbraw/zinc/55/71/59/1047557159.db2.gz IVTXIWFGSNMXEE-QGZVFWFLSA-N 1 1 300.402 4.486 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000537647265 1047558850 /nfs/dbraw/zinc/55/88/50/1047558850.db2.gz IVTXIWFGSNMXEE-KRWDZBQOSA-N 1 1 300.402 4.486 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)c1 ZINC000537647265 1047558854 /nfs/dbraw/zinc/55/88/54/1047558854.db2.gz IVTXIWFGSNMXEE-KRWDZBQOSA-N 1 1 300.402 4.486 20 30 DIEDMO C=C(C)c1ccccc1Nc1cccc(CC[NH+]2CCOCC2)c1 ZINC001204379539 1047613021 /nfs/dbraw/zinc/61/30/21/1047613021.db2.gz CUFBGULXPKTUMX-UHFFFAOYSA-N 1 1 322.452 4.338 20 30 DIEDMO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538147683 1047660200 /nfs/dbraw/zinc/66/02/00/1047660200.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000538147683 1047660203 /nfs/dbraw/zinc/66/02/03/1047660203.db2.gz MXSDJOQBIRBWBS-ICSRJNTNSA-N 1 1 300.490 4.185 20 30 DIEDMO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC1(C#N)CC1 ZINC000538390787 1047673069 /nfs/dbraw/zinc/67/30/69/1047673069.db2.gz WPOQDKGJHSCNAK-QGZVFWFLSA-N 1 1 300.446 4.456 20 30 DIEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721771 1047701266 /nfs/dbraw/zinc/70/12/66/1047701266.db2.gz CRNVOMPAYCAVQM-MLGOLLRUSA-N 1 1 300.427 4.494 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000538752461 1047708616 /nfs/dbraw/zinc/70/86/16/1047708616.db2.gz MPNMFVYHRFEWEQ-QWHCGFSZSA-N 1 1 302.805 4.429 20 30 DIEDMO CC(C)n1ccc2c1nc[nH+]c2N[C@@H](C)c1cccc(C#N)c1 ZINC001156876370 1047726158 /nfs/dbraw/zinc/72/61/58/1047726158.db2.gz WDQUGUOULKKSDZ-ZDUSSCGKSA-N 1 1 305.385 4.057 20 30 DIEDMO C=CCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C(C)(C)C ZINC001157584653 1047746830 /nfs/dbraw/zinc/74/68/30/1047746830.db2.gz HUYUCLKIVMQLSA-UHFFFAOYSA-N 1 1 307.869 4.122 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(NCCCCC#N)nc1 ZINC001157642636 1047747826 /nfs/dbraw/zinc/74/78/26/1047747826.db2.gz AXOZGOWPNIAHLD-QGZVFWFLSA-N 1 1 300.450 4.124 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC001158609761 1047791364 /nfs/dbraw/zinc/79/13/64/1047791364.db2.gz DJGNJELNMPPPBD-IBGZPJMESA-N 1 1 312.457 4.455 20 30 DIEDMO Cc1ccc(CC#N)c(NCc2ccccc2-c2cccnc2)[nH+]1 ZINC001159107090 1047812350 /nfs/dbraw/zinc/81/23/50/1047812350.db2.gz KEPGPAKOCDAHBU-UHFFFAOYSA-N 1 1 314.392 4.130 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC001183065798 1047887092 /nfs/dbraw/zinc/88/70/92/1047887092.db2.gz PGOMAOIWLBHOPH-GOSISDBHSA-N 1 1 309.457 4.196 20 30 DIEDMO CCCCCCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001204368938 1047891176 /nfs/dbraw/zinc/89/11/76/1047891176.db2.gz KCKBQMDNIVAWLD-LJQANCHMSA-N 1 1 300.446 4.381 20 30 DIEDMO CCCCCCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001204368938 1047891189 /nfs/dbraw/zinc/89/11/89/1047891189.db2.gz KCKBQMDNIVAWLD-LJQANCHMSA-N 1 1 300.446 4.381 20 30 DIEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001174575831 1047891946 /nfs/dbraw/zinc/89/19/46/1047891946.db2.gz ZCWAVMKPKBCZCD-NRFANRHFSA-N 1 1 320.436 4.039 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C(C)(C)C ZINC001174631199 1047915286 /nfs/dbraw/zinc/91/52/86/1047915286.db2.gz KKEXKPFRMRNIGT-UHFFFAOYSA-N 1 1 310.441 4.447 20 30 DIEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)C ZINC001174641063 1047916768 /nfs/dbraw/zinc/91/67/68/1047916768.db2.gz AKICSACHXPKVPJ-UHFFFAOYSA-N 1 1 316.323 4.400 20 30 DIEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC001174641471 1047919074 /nfs/dbraw/zinc/91/90/74/1047919074.db2.gz IQDPUSMFJPTYBG-CQSZACIVSA-N 1 1 302.245 4.313 20 30 DIEDMO C=CCCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000479538428 1047921923 /nfs/dbraw/zinc/92/19/23/1047921923.db2.gz BUJRRQUYHVSOLC-KRWDZBQOSA-N 1 1 314.473 4.034 20 30 DIEDMO C#CC[N@H+](CCCc1scnc1C)[C@H]1CCCc2ccccc21 ZINC001198103160 1047928104 /nfs/dbraw/zinc/92/81/04/1047928104.db2.gz DNBKVQVOKCYFQF-IBGZPJMESA-N 1 1 324.493 4.397 20 30 DIEDMO CCCCCCCC[N@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC001198174486 1047931507 /nfs/dbraw/zinc/93/15/07/1047931507.db2.gz SGHZNKPPRGMPLS-QGZVFWFLSA-N 1 1 309.523 4.261 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2F)CC2CC2)cc1F ZINC001174680594 1047931690 /nfs/dbraw/zinc/93/16/90/1047931690.db2.gz KCAOICPSZXAYJF-UHFFFAOYSA-N 1 1 312.363 4.249 20 30 DIEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC001198269720 1047943305 /nfs/dbraw/zinc/94/33/05/1047943305.db2.gz DQRRYGVYCHOEQG-CQSZACIVSA-N 1 1 314.654 4.209 20 30 DIEDMO COc1ccc2cc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)c2c1 ZINC001159916093 1047949298 /nfs/dbraw/zinc/94/92/98/1047949298.db2.gz JKRUYVPKPTUJKZ-LJQANCHMSA-N 1 1 315.376 4.214 20 30 DIEDMO C=CCC[C@H]1CCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC001198414692 1047954004 /nfs/dbraw/zinc/95/40/04/1047954004.db2.gz ZPTLGDWUYUOJBL-KRWDZBQOSA-N 1 1 321.468 4.292 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(Br)c1 ZINC001174771704 1047965969 /nfs/dbraw/zinc/96/59/69/1047965969.db2.gz UBIVAZAVYZOPOJ-GASCZTMLSA-N 1 1 310.210 4.271 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687361 1047970060 /nfs/dbraw/zinc/97/00/60/1047970060.db2.gz NQHUXIXBIBUSJA-YESZJQIVSA-N 1 1 324.509 4.356 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687354 1047970146 /nfs/dbraw/zinc/97/01/46/1047970146.db2.gz NQHUXIXBIBUSJA-GVDBMIGSSA-N 1 1 324.509 4.356 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000479836685 1047982103 /nfs/dbraw/zinc/98/21/03/1047982103.db2.gz JONHYKNHYCZDSG-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO C=CCC[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC001174819322 1047982181 /nfs/dbraw/zinc/98/21/81/1047982181.db2.gz ZDGBUSCZNNQFKW-AWEZNQCLSA-N 1 1 312.276 4.192 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc(NC2CC2)c(C)c[nH+]1 ZINC001160178691 1047989519 /nfs/dbraw/zinc/98/95/19/1047989519.db2.gz LLJDFAZJFKTLRU-CQSZACIVSA-N 1 1 324.428 4.097 20 30 DIEDMO C#CC[N@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C(C)C ZINC001184115967 1048001621 /nfs/dbraw/zinc/00/16/21/1048001621.db2.gz QVNAMCULQJYKHQ-UHFFFAOYSA-N 1 1 309.409 4.331 20 30 DIEDMO C=CCCCCC[C@@H](C)[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC001184276327 1048024382 /nfs/dbraw/zinc/02/43/82/1048024382.db2.gz HDMPXYLRMUMBTI-OAHLLOKOSA-N 1 1 303.437 4.432 20 30 DIEDMO CC[NH+](CC)CC[C@@H](NC1CCC(C#N)CC1)c1ccccc1 ZINC001184336517 1048030951 /nfs/dbraw/zinc/03/09/51/1048030951.db2.gz ACNDWRKJZGITMH-LYBXBRPPSA-N 1 1 313.489 4.132 20 30 DIEDMO CCN(CC)CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001184336517 1048030964 /nfs/dbraw/zinc/03/09/64/1048030964.db2.gz ACNDWRKJZGITMH-LYBXBRPPSA-N 1 1 313.489 4.132 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C#N)CC(C)C)nc1 ZINC001160364318 1048039563 /nfs/dbraw/zinc/03/95/63/1048039563.db2.gz AERTZQVMIOXJOQ-QZTJIDSGSA-N 1 1 314.477 4.369 20 30 DIEDMO C=C(Cl)C[NH2+]Cc1cc(Br)ccc1OCCC ZINC000161001659 1048039624 /nfs/dbraw/zinc/03/96/24/1048039624.db2.gz CPSVKFYRVBWLAQ-UHFFFAOYSA-N 1 1 318.642 4.080 20 30 DIEDMO C[C@H](C[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279662 1048055763 /nfs/dbraw/zinc/05/57/63/1048055763.db2.gz QBDZGQPJBOMEOY-MSOLQXFVSA-N 1 1 316.489 4.193 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2c(Cl)ccc(F)c2n1 ZINC001160957666 1048100414 /nfs/dbraw/zinc/10/04/14/1048100414.db2.gz OLESRBZPKSPMLN-LBPRGKRZSA-N 1 1 319.811 4.090 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC001160999923 1048102493 /nfs/dbraw/zinc/10/24/93/1048102493.db2.gz DQBVPYZRQQRRKT-MSOLQXFVSA-N 1 1 310.526 4.316 20 30 DIEDMO Cc1ccccc1CC1(CNc2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001161610264 1048142791 /nfs/dbraw/zinc/14/27/91/1048142791.db2.gz RHPZUFPFVJOACF-UHFFFAOYSA-N 1 1 316.408 4.178 20 30 DIEDMO Cc1ccc(CC#N)c(NCC2(Cc3ccc(F)cc3)CC2)[nH+]1 ZINC001161622201 1048147477 /nfs/dbraw/zinc/14/74/77/1048147477.db2.gz FOMPSNLVNDEEHB-UHFFFAOYSA-N 1 1 309.388 4.030 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000554743464 1048172662 /nfs/dbraw/zinc/17/26/62/1048172662.db2.gz XVRRFSTVHQRUBY-FQEVSTJZSA-N 1 1 308.425 4.344 20 30 DIEDMO C[C@@H](C[N@@H+](C)CCCOc1cccc(C#N)c1)C1CCCCC1 ZINC001175229236 1048205677 /nfs/dbraw/zinc/20/56/77/1048205677.db2.gz MIKINKHQPZXXNJ-KRWDZBQOSA-N 1 1 314.473 4.475 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccc(C#N)cc1 ZINC000554847510 1048207767 /nfs/dbraw/zinc/20/77/67/1048207767.db2.gz ABKQEKVRUYZXLC-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO C[C@H](c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1)C(F)(F)F ZINC001175249655 1048221491 /nfs/dbraw/zinc/22/14/91/1048221491.db2.gz IBNGMQJDYORLJL-DAXOMENPSA-N 1 1 310.363 4.476 20 30 DIEDMO C[C@H](c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1)C(F)(F)F ZINC001175249655 1048221505 /nfs/dbraw/zinc/22/15/05/1048221505.db2.gz IBNGMQJDYORLJL-DAXOMENPSA-N 1 1 310.363 4.476 20 30 DIEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000480872642 1048260946 /nfs/dbraw/zinc/26/09/46/1048260946.db2.gz IRZZKYNNDFSXSI-GFCCVEGCSA-N 1 1 300.789 4.071 20 30 DIEDMO CC[C@@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)c1ccc(F)c(F)c1 ZINC001162463693 1048283879 /nfs/dbraw/zinc/28/38/79/1048283879.db2.gz WWELVRYWTGGYFP-CQSZACIVSA-N 1 1 312.323 4.276 20 30 DIEDMO CC(C)C[C@@](C)(C#N)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001162519079 1048293284 /nfs/dbraw/zinc/29/32/84/1048293284.db2.gz ZAPBTQQOFQYDOP-KRWDZBQOSA-N 1 1 320.868 4.071 20 30 DIEDMO N#Cc1ccsc1N=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001201470873 1048294751 /nfs/dbraw/zinc/29/47/51/1048294751.db2.gz XQVBYWRVCJNDAU-MSOLQXFVSA-N 1 1 321.449 4.352 20 30 DIEDMO CC#CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175486651 1048325073 /nfs/dbraw/zinc/32/50/73/1048325073.db2.gz XHFVOBGAPWMRJG-INIZCTEOSA-N 1 1 313.338 4.265 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001201762353 1048371087 /nfs/dbraw/zinc/37/10/87/1048371087.db2.gz HHPBEGBQHLUSLS-SFHVURJKSA-N 1 1 320.502 4.147 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201804730 1048375435 /nfs/dbraw/zinc/37/54/35/1048375435.db2.gz RLWOTYCKTATZCX-CABCVRRESA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001201776811 1048376180 /nfs/dbraw/zinc/37/61/80/1048376180.db2.gz MEFVWDXVBRXEBM-QGZVFWFLSA-N 1 1 320.525 4.070 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201776495 1048377556 /nfs/dbraw/zinc/37/75/56/1048377556.db2.gz DQGYZDKZFUNNRK-SJORKVTESA-N 1 1 321.534 4.010 20 30 DIEDMO C=CCC[N@H+](C)Cc1nc2ccc(Br)cc2s1 ZINC000775106228 1048386721 /nfs/dbraw/zinc/38/67/21/1048386721.db2.gz FUYIJVZIVJPFAR-UHFFFAOYSA-N 1 1 311.248 4.067 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001201839398 1048386883 /nfs/dbraw/zinc/38/68/83/1048386883.db2.gz BKJOHQLCEVDLEE-SFHVURJKSA-N 1 1 314.473 4.077 20 30 DIEDMO CCCCCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201839761 1048387027 /nfs/dbraw/zinc/38/70/27/1048387027.db2.gz IVZFNMCCVGAXGB-UHFFFAOYSA-N 1 1 324.490 4.038 20 30 DIEDMO CCCCCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001201839761 1048387037 /nfs/dbraw/zinc/38/70/37/1048387037.db2.gz IVZFNMCCVGAXGB-UHFFFAOYSA-N 1 1 324.490 4.038 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201840309 1048387214 /nfs/dbraw/zinc/38/72/14/1048387214.db2.gz YAQLKLYJNNSYTJ-SFHVURJKSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201839656 1048387315 /nfs/dbraw/zinc/38/73/15/1048387315.db2.gz OUNOKRMQRLVNMV-SFHVURJKSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201839390 1048388369 /nfs/dbraw/zinc/38/83/69/1048388369.db2.gz MQPDWXRIDFUWBL-HUUCEWRRSA-N 1 1 309.416 4.372 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000600206372 1048392585 /nfs/dbraw/zinc/39/25/85/1048392585.db2.gz WEXXQASDONQUIB-UHFFFAOYSA-N 1 1 310.363 4.393 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCc2onc(COC)c2C1 ZINC001201874779 1048393394 /nfs/dbraw/zinc/39/33/94/1048393394.db2.gz GBJDPNIZUBGPPU-UHFFFAOYSA-N 1 1 308.466 4.320 20 30 DIEDMO CCCCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001201875281 1048393604 /nfs/dbraw/zinc/39/36/04/1048393604.db2.gz TXOAUNSSKJNWPP-GOSISDBHSA-N 1 1 321.509 4.102 20 30 DIEDMO CCCCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001201875282 1048393877 /nfs/dbraw/zinc/39/38/77/1048393877.db2.gz TXOAUNSSKJNWPP-SFHVURJKSA-N 1 1 321.509 4.102 20 30 DIEDMO C=C(Br)C[N@@H+]1CCCSC[C@H]1c1ccccc1 ZINC001175770284 1048446022 /nfs/dbraw/zinc/44/60/22/1048446022.db2.gz YPCKDEZLSSVUNW-AWEZNQCLSA-N 1 1 312.276 4.075 20 30 DIEDMO C=C(Br)C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC001175770284 1048446025 /nfs/dbraw/zinc/44/60/25/1048446025.db2.gz YPCKDEZLSSVUNW-AWEZNQCLSA-N 1 1 312.276 4.075 20 30 DIEDMO C[C@H]1c2sccc2CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001175828535 1048456105 /nfs/dbraw/zinc/45/61/05/1048456105.db2.gz BJUOPKPZUQXRCM-ZDUSSCGKSA-N 1 1 301.842 4.372 20 30 DIEDMO C[C@H]1c2sccc2CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001175828535 1048456112 /nfs/dbraw/zinc/45/61/12/1048456112.db2.gz BJUOPKPZUQXRCM-ZDUSSCGKSA-N 1 1 301.842 4.372 20 30 DIEDMO CCCCCCCCS(=O)(=O)Nc1cc[nH+]c(C2CC2)c1 ZINC001188001434 1048460480 /nfs/dbraw/zinc/46/04/80/1048460480.db2.gz KWWNKNPMYPBCDT-UHFFFAOYSA-N 1 1 310.463 4.061 20 30 DIEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000555975379 1048495979 /nfs/dbraw/zinc/49/59/79/1048495979.db2.gz NMGREJZHCJFHII-INIZCTEOSA-N 1 1 322.493 4.150 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000899995412 1048500008 /nfs/dbraw/zinc/50/00/08/1048500008.db2.gz ZMVIBDIQWMNPOX-GFCCVEGCSA-N 1 1 311.307 4.112 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000899994648 1048501123 /nfs/dbraw/zinc/50/11/23/1048501123.db2.gz KJRWZLBPHWADNC-LLVKDONJSA-N 1 1 312.200 4.400 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cccc(O)c2)cc1 ZINC001163708566 1048508064 /nfs/dbraw/zinc/50/80/64/1048508064.db2.gz MZOXWPKTBAXDJL-OAQYLSRUSA-N 1 1 322.452 4.370 20 30 DIEDMO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC001176035779 1048539050 /nfs/dbraw/zinc/53/90/50/1048539050.db2.gz CJAARSAHEJHCSG-OXJNMPFZSA-N 1 1 306.409 4.020 20 30 DIEDMO CCCc1cccc(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000481980951 1048540659 /nfs/dbraw/zinc/54/06/59/1048540659.db2.gz AVXTUUWFPHNBRE-NRFANRHFSA-N 1 1 320.436 4.084 20 30 DIEDMO CCCc1cccc(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000481980951 1048540670 /nfs/dbraw/zinc/54/06/70/1048540670.db2.gz AVXTUUWFPHNBRE-NRFANRHFSA-N 1 1 320.436 4.084 20 30 DIEDMO Cc1[nH+]ccn1CCNc1ccc(C2(C#N)CCCCC2)cc1 ZINC001163923598 1048549471 /nfs/dbraw/zinc/54/94/71/1048549471.db2.gz KXBAAEVOFOCSDH-UHFFFAOYSA-N 1 1 308.429 4.029 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)C2CCCCC2)cc1 ZINC000775207211 1048567445 /nfs/dbraw/zinc/56/74/45/1048567445.db2.gz SDJFESOVPZIPJG-CVEARBPZSA-N 1 1 300.446 4.378 20 30 DIEDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000338917621 1048577427 /nfs/dbraw/zinc/57/74/27/1048577427.db2.gz XYAPNQLBFIGEIS-GOSISDBHSA-N 1 1 300.446 4.051 20 30 DIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCCc2cccnc21 ZINC000482275008 1048583322 /nfs/dbraw/zinc/58/33/22/1048583322.db2.gz GLOPRMMKYGRWNO-QGZVFWFLSA-N 1 1 311.454 4.304 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001252130558 1048590588 /nfs/dbraw/zinc/59/05/88/1048590588.db2.gz TWVJRLKCGJLAAI-INIZCTEOSA-N 1 1 312.885 4.278 20 30 DIEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001176365428 1048661985 /nfs/dbraw/zinc/66/19/85/1048661985.db2.gz PTNHBWAJSAPUIZ-DNVCBOLYSA-N 1 1 308.400 4.465 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000482807758 1048683271 /nfs/dbraw/zinc/68/32/71/1048683271.db2.gz HMRVEJPBZPQTLA-UHFFFAOYSA-N 1 1 318.848 4.254 20 30 DIEDMO N#CC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CCCCC1 ZINC000850552445 1048688599 /nfs/dbraw/zinc/68/85/99/1048688599.db2.gz ZJPROLFHCMCCGG-OAHLLOKOSA-N 1 1 304.434 4.426 20 30 DIEDMO C=CCn1cc(Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)cn1 ZINC001176545559 1048699929 /nfs/dbraw/zinc/69/99/29/1048699929.db2.gz BIRDYHDKYTYUFC-UHFFFAOYSA-N 1 1 321.428 4.181 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098976 1048734092 /nfs/dbraw/zinc/73/40/92/1048734092.db2.gz DTQVLPFXJLOSAC-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO CC(C)[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC001190436467 1048739768 /nfs/dbraw/zinc/73/97/68/1048739768.db2.gz GDDABJYFZABOOW-UHFFFAOYSA-N 1 1 321.468 4.077 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)o1)Cc1cccs1 ZINC000483150743 1048748176 /nfs/dbraw/zinc/74/81/76/1048748176.db2.gz ZFMMHYFRNLUGLO-UHFFFAOYSA-N 1 1 312.232 4.292 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)o1)Cc1cccs1 ZINC000483150743 1048748184 /nfs/dbraw/zinc/74/81/84/1048748184.db2.gz ZFMMHYFRNLUGLO-UHFFFAOYSA-N 1 1 312.232 4.292 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(Br)cc1 ZINC000160803454 1048757768 /nfs/dbraw/zinc/75/77/68/1048757768.db2.gz HISWAWFDRLRZKM-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)c1ccccc1 ZINC001190615946 1048758874 /nfs/dbraw/zinc/75/88/74/1048758874.db2.gz KBERDNSIYPHLMZ-NRFANRHFSA-N 1 1 322.452 4.404 20 30 DIEDMO Cc1ccc(CC#N)c(N2CCC(CCc3ccccc3)CC2)[nH+]1 ZINC001166572771 1048764934 /nfs/dbraw/zinc/76/49/34/1048764934.db2.gz IYDOXRAZNPQUBR-UHFFFAOYSA-N 1 1 319.452 4.305 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258184 1048765326 /nfs/dbraw/zinc/76/53/26/1048765326.db2.gz SQEWZFVERACVEN-VQTJNVASSA-N 1 1 307.441 4.055 20 30 DIEDMO Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)n(C)c2)c1C ZINC000483282618 1048770068 /nfs/dbraw/zinc/77/00/68/1048770068.db2.gz QFNAKBHNQGXBOF-FQEVSTJZSA-N 1 1 307.441 4.241 20 30 DIEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)cc1C#N ZINC000483291790 1048773191 /nfs/dbraw/zinc/77/31/91/1048773191.db2.gz RTOJDRZAAFMWEM-OAQYLSRUSA-N 1 1 315.420 4.387 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2CC2CCCCC2)c1 ZINC001190643963 1048773804 /nfs/dbraw/zinc/77/38/04/1048773804.db2.gz REDGRZAHIIDOEL-LJQANCHMSA-N 1 1 312.457 4.372 20 30 DIEDMO C=CC[N@@H+](CC/C=C\c1cncc(OC)c1)CCc1ccccc1 ZINC001190707443 1048776046 /nfs/dbraw/zinc/77/60/46/1048776046.db2.gz IBRBOBFHDXQQBQ-XFFZJAGNSA-N 1 1 322.452 4.224 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1C(F)(F)F ZINC000160862120 1048778915 /nfs/dbraw/zinc/77/89/15/1048778915.db2.gz XAKHOBSNGUFXDS-LBPRGKRZSA-N 1 1 304.315 4.428 20 30 DIEDMO C=C(CC)C[N@H+](CC)Cc1cc(Br)ccc1F ZINC001190761857 1048779704 /nfs/dbraw/zinc/77/97/04/1048779704.db2.gz UVUPHGHIYQQIRC-UHFFFAOYSA-N 1 1 300.215 4.376 20 30 DIEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001190753260 1048783168 /nfs/dbraw/zinc/78/31/68/1048783168.db2.gz RPSMVJZMEHSMIY-QGZVFWFLSA-N 1 1 314.473 4.422 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC001176709919 1048783327 /nfs/dbraw/zinc/78/33/27/1048783327.db2.gz MFUZQRGBAJJIKG-UHFFFAOYSA-N 1 1 317.399 4.468 20 30 DIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCCCCCC1 ZINC001190781777 1048785246 /nfs/dbraw/zinc/78/52/46/1048785246.db2.gz YKYRXOOZZGKVHX-UHFFFAOYSA-N 1 1 300.446 4.372 20 30 DIEDMO CCCCCCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819397 1048788094 /nfs/dbraw/zinc/78/80/94/1048788094.db2.gz UQMKMUFIEQLMFZ-UHFFFAOYSA-N 1 1 313.489 4.431 20 30 DIEDMO COCC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801914 1048788725 /nfs/dbraw/zinc/78/87/25/1048788725.db2.gz NXYDFEYHMKQGNV-QZTJIDSGSA-N 1 1 314.473 4.223 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001176771765 1048789695 /nfs/dbraw/zinc/78/96/95/1048789695.db2.gz URCJVGNNKHOQHO-MRXNPFEDSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001176771235 1048789909 /nfs/dbraw/zinc/78/99/09/1048789909.db2.gz IRTXZOWHBASGRP-OAHLLOKOSA-N 1 1 306.837 4.018 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(SC(=O)N(C)C)c1 ZINC001176771593 1048789975 /nfs/dbraw/zinc/78/99/75/1048789975.db2.gz NFQLBETXAIBIKC-INIZCTEOSA-N 1 1 318.486 4.391 20 30 DIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC001176798689 1048794292 /nfs/dbraw/zinc/79/42/92/1048794292.db2.gz WGKAUUHTFSUXNV-HZPDHXFCSA-N 1 1 320.502 4.088 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001176904008 1048806691 /nfs/dbraw/zinc/80/66/91/1048806691.db2.gz MIHYKNWHMNNPPF-QZTJIDSGSA-N 1 1 308.510 4.212 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC=CC12CCCCC2 ZINC001176995703 1048812730 /nfs/dbraw/zinc/81/27/30/1048812730.db2.gz NOCDQMAOZAMLMH-UHFFFAOYSA-N 1 1 316.832 4.317 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001177027474 1048816470 /nfs/dbraw/zinc/81/64/70/1048816470.db2.gz KYXCXMPNRHJSMB-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001177027474 1048816480 /nfs/dbraw/zinc/81/64/80/1048816480.db2.gz KYXCXMPNRHJSMB-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000483578164 1048820215 /nfs/dbraw/zinc/82/02/15/1048820215.db2.gz HXFQOSLLYODDAM-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852313065 1048835336 /nfs/dbraw/zinc/83/53/36/1048835336.db2.gz XPXDRCLGZSWDBT-PMACEKPBSA-N 1 1 320.436 4.046 20 30 DIEDMO Cc1cccc([C@H](C)[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328851 1048835569 /nfs/dbraw/zinc/83/55/69/1048835569.db2.gz OGVCGTRCLZEKAF-PXNSSMCTSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1cccc([C@H](C)[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328851 1048835601 /nfs/dbraw/zinc/83/56/01/1048835601.db2.gz OGVCGTRCLZEKAF-PXNSSMCTSA-N 1 1 305.425 4.008 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727221 1048851460 /nfs/dbraw/zinc/85/14/60/1048851460.db2.gz MUOZRGQNUKRCPM-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000852685740 1048853829 /nfs/dbraw/zinc/85/38/29/1048853829.db2.gz JNWVDZFBNGQAJW-CALCHBBNSA-N 1 1 309.409 4.093 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727219 1048853466 /nfs/dbraw/zinc/85/34/66/1048853466.db2.gz MUOZRGQNUKRCPM-JLTOFOAXSA-N 1 1 324.399 4.289 20 30 DIEDMO CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 ZINC001191155344 1048865801 /nfs/dbraw/zinc/86/58/01/1048865801.db2.gz FSASQYGXHTUUGZ-GUDVDZBRSA-N 1 1 312.457 4.106 20 30 DIEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214095 1048887890 /nfs/dbraw/zinc/88/78/90/1048887890.db2.gz MLGNEQJJTIHNDF-PXNSSMCTSA-N 1 1 314.473 4.123 20 30 DIEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214094 1048888303 /nfs/dbraw/zinc/88/83/03/1048888303.db2.gz MLGNEQJJTIHNDF-FXAWDEMLSA-N 1 1 314.473 4.123 20 30 DIEDMO N#CCCC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC000484061947 1048900101 /nfs/dbraw/zinc/90/01/01/1048900101.db2.gz AXUGTJRYTXXPNY-UHFFFAOYSA-N 1 1 321.262 4.497 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1c1ccccc1 ZINC001191224076 1048902698 /nfs/dbraw/zinc/90/26/98/1048902698.db2.gz SFWCELNVYCADCV-KXBFYZLASA-N 1 1 308.400 4.323 20 30 DIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741908 1048903421 /nfs/dbraw/zinc/90/34/21/1048903421.db2.gz ACVUYOPGGXEISC-AWEZNQCLSA-N 1 1 309.369 4.050 20 30 DIEDMO CCCCCCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001191233688 1048906298 /nfs/dbraw/zinc/90/62/98/1048906298.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 1 1 302.506 4.411 20 30 DIEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001191233688 1048906303 /nfs/dbraw/zinc/90/63/03/1048906303.db2.gz PJLKESHQIALJME-HXUWFJFHSA-N 1 1 302.506 4.411 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC001203463372 1048906308 /nfs/dbraw/zinc/90/63/08/1048906308.db2.gz GVFKZABJNYBJRD-UHFFFAOYSA-N 1 1 309.450 4.115 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(C)(C)C)cc(O)c1O ZINC000853599025 1048910089 /nfs/dbraw/zinc/91/00/89/1048910089.db2.gz JBYPLWGZJOWJRM-IYBDPMFKSA-N 1 1 301.430 4.078 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCOc1ccccc1C#N ZINC001191269638 1048910942 /nfs/dbraw/zinc/91/09/42/1048910942.db2.gz VVSABECUGFOLBI-FQEVSTJZSA-N 1 1 322.452 4.199 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC001191266974 1048911036 /nfs/dbraw/zinc/91/10/36/1048911036.db2.gz BTNYLCDOKGGCLN-IBGZPJMESA-N 1 1 310.416 4.459 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC001191269378 1048911214 /nfs/dbraw/zinc/91/12/14/1048911214.db2.gz RNDCOHIAGQORKP-FQEVSTJZSA-N 1 1 310.416 4.459 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC001191269436 1048911936 /nfs/dbraw/zinc/91/19/36/1048911936.db2.gz SPVGHDVBXQALBG-FQEVSTJZSA-N 1 1 322.452 4.328 20 30 DIEDMO C[N@@H+](CCOCCC#N)[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000559228413 1048921129 /nfs/dbraw/zinc/92/11/29/1048921129.db2.gz YLCHYYRHHUIPQD-SFHVURJKSA-N 1 1 320.864 4.433 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317822 1048924565 /nfs/dbraw/zinc/92/45/65/1048924565.db2.gz NMPOFDHSRXUCPJ-FOIQADDNSA-N 1 1 308.400 4.323 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC001177669377 1048927390 /nfs/dbraw/zinc/92/73/90/1048927390.db2.gz XDFPOJJORRSVLI-HOJAQTOUSA-N 1 1 304.522 4.366 20 30 DIEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)no1)CC1CCCCC1 ZINC000484569223 1048972680 /nfs/dbraw/zinc/97/26/80/1048972680.db2.gz KNGCVVVYXCOBFK-UHFFFAOYSA-N 1 1 311.429 4.305 20 30 DIEDMO C=C(CC)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691146 1048985105 /nfs/dbraw/zinc/98/51/05/1048985105.db2.gz LGCAGXCMAVWYMM-IRXDYDNUSA-N 1 1 322.493 4.207 20 30 DIEDMO C[C@H](c1ccc2ccccc2c1)[N@@H+](CCOCCC#N)C1CC1 ZINC000338964121 1048990964 /nfs/dbraw/zinc/99/09/64/1048990964.db2.gz VDCXRMWTNUPGGZ-MRXNPFEDSA-N 1 1 308.425 4.295 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)c1 ZINC001203762690 1048993549 /nfs/dbraw/zinc/99/35/49/1048993549.db2.gz NPUXLIOSDDJCCS-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000173280368 1049020302 /nfs/dbraw/zinc/02/03/02/1049020302.db2.gz QBHMBPHAKGIZJA-UHFFFAOYSA-N 1 1 324.428 4.151 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000776800594 1049021016 /nfs/dbraw/zinc/02/10/16/1049021016.db2.gz RPMAQOAVIUNOTG-MRXNPFEDSA-N 1 1 312.363 4.134 20 30 DIEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC001203907077 1049027323 /nfs/dbraw/zinc/02/73/23/1049027323.db2.gz HVHVPXKWMWTRCL-UHFFFAOYSA-N 1 1 318.342 4.252 20 30 DIEDMO C#CCOc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000113315568 1049032293 /nfs/dbraw/zinc/03/22/93/1049032293.db2.gz WUSBNQYGCPWHSI-OAQYLSRUSA-N 1 1 317.388 4.171 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC001203962345 1049046787 /nfs/dbraw/zinc/04/67/87/1049046787.db2.gz LMZCPNPJGTYTRZ-GOSISDBHSA-N 1 1 305.421 4.111 20 30 DIEDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000773754369 1049064335 /nfs/dbraw/zinc/06/43/35/1049064335.db2.gz WZJYHCZPRBLNPQ-UHFFFAOYSA-N 1 1 319.452 4.179 20 30 DIEDMO C=C(Br)C[NH+]1CCC(Cc2ccc(C)cc2)CC1 ZINC001192471425 1049103125 /nfs/dbraw/zinc/10/31/25/1049103125.db2.gz OPQYVGASKBZMHD-UHFFFAOYSA-N 1 1 308.263 4.158 20 30 DIEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC001192292264 1049075364 /nfs/dbraw/zinc/07/53/64/1049075364.db2.gz PMJZEEREOVTBEF-UHFFFAOYSA-N 1 1 302.421 4.464 20 30 DIEDMO C#CC[N@@H+](Cc1ccnc2ccccc12)[C@@H]1CCc2ccccc21 ZINC001204088544 1049081777 /nfs/dbraw/zinc/08/17/77/1049081777.db2.gz OTMCYIRRCMTHBV-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(OCC)c1 ZINC001204130598 1049090266 /nfs/dbraw/zinc/09/02/66/1049090266.db2.gz LCSZUOUZANMRKF-UHFFFAOYSA-N 1 1 311.425 4.369 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC001204147837 1049096427 /nfs/dbraw/zinc/09/64/27/1049096427.db2.gz XLCSUUDQALPWMY-UHFFFAOYSA-N 1 1 309.409 4.052 20 30 DIEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000904573470 1049103116 /nfs/dbraw/zinc/10/31/16/1049103116.db2.gz XFPDQVSNTHYTKQ-MRXNPFEDSA-N 1 1 316.449 4.114 20 30 DIEDMO C[C@@H](c1ccccc1Br)[N@H+](C)CC1(CC#N)CC1 ZINC001192443430 1049105602 /nfs/dbraw/zinc/10/56/02/1049105602.db2.gz OGMADWSCTCKRNX-LBPRGKRZSA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@@H](c1ccccc1Br)[N@@H+](C)CC1(CC#N)CC1 ZINC001192443430 1049105604 /nfs/dbraw/zinc/10/56/04/1049105604.db2.gz OGMADWSCTCKRNX-LBPRGKRZSA-N 1 1 307.235 4.136 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCc1cccs1 ZINC001204213885 1049113131 /nfs/dbraw/zinc/11/31/31/1049113131.db2.gz XUXLCLFBQPNDDJ-UHFFFAOYSA-N 1 1 319.857 4.088 20 30 DIEDMO C=C(C)CC[N@@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525265 1049116327 /nfs/dbraw/zinc/11/63/27/1049116327.db2.gz IYRHFIXQOWFGGC-MRXNPFEDSA-N 1 1 309.837 4.232 20 30 DIEDMO C=C(C)CC[N@H+](CC)[C@@H](C(=O)OCC)c1ccc(Cl)cc1 ZINC001192525265 1049116331 /nfs/dbraw/zinc/11/63/31/1049116331.db2.gz IYRHFIXQOWFGGC-MRXNPFEDSA-N 1 1 309.837 4.232 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001204242949 1049120821 /nfs/dbraw/zinc/12/08/21/1049120821.db2.gz UORIUWRMZGKXBI-INIZCTEOSA-N 1 1 307.441 4.031 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000904720934 1049132993 /nfs/dbraw/zinc/13/29/93/1049132993.db2.gz HUCYKOIRDRYSTR-ZDUSSCGKSA-N 1 1 307.344 4.204 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)cc1 ZINC001204303261 1049133940 /nfs/dbraw/zinc/13/39/40/1049133940.db2.gz DGLNNEZPHSABEM-IBGZPJMESA-N 1 1 323.436 4.250 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(F)c2F)cc1 ZINC001204302078 1049134233 /nfs/dbraw/zinc/13/42/33/1049134233.db2.gz AJSFUXRNZFGBND-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccc(F)c2F)cc1 ZINC001204302078 1049134241 /nfs/dbraw/zinc/13/42/41/1049134241.db2.gz AJSFUXRNZFGBND-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC001204303050 1049135065 /nfs/dbraw/zinc/13/50/65/1049135065.db2.gz XRLGWLWBNAWUSY-LAUBAEHRSA-N 1 1 323.436 4.213 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cc1 ZINC001204303050 1049135073 /nfs/dbraw/zinc/13/50/73/1049135073.db2.gz XRLGWLWBNAWUSY-LAUBAEHRSA-N 1 1 323.436 4.213 20 30 DIEDMO Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CCCCC3)s2)o1 ZINC001179173573 1049139731 /nfs/dbraw/zinc/13/97/31/1049139731.db2.gz RZNMAECIYRTPLP-UHFFFAOYSA-N 1 1 315.442 4.275 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001192870497 1049140752 /nfs/dbraw/zinc/14/07/52/1049140752.db2.gz VFHHYIGSLQHFQP-HZPDHXFCSA-N 1 1 312.498 4.192 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001204366864 1049151826 /nfs/dbraw/zinc/15/18/26/1049151826.db2.gz YNTWKRUPIBHIRA-PKOBYXMFSA-N 1 1 319.489 4.381 20 30 DIEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)Cc2ccccc21 ZINC001192939891 1049156968 /nfs/dbraw/zinc/15/69/68/1049156968.db2.gz VYCIXSVKQYZRDF-UHFFFAOYSA-N 1 1 320.436 4.121 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2F)cc1 ZINC001179369565 1049160930 /nfs/dbraw/zinc/16/09/30/1049160930.db2.gz JACFAOOWPLRSNH-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCC[C@H]2CCO2)C(C)(C)C)cc1 ZINC001204432981 1049162064 /nfs/dbraw/zinc/16/20/64/1049162064.db2.gz YBUDHJCUYMJWMQ-SFHVURJKSA-N 1 1 317.473 4.421 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC001204432433 1049162430 /nfs/dbraw/zinc/16/24/30/1049162430.db2.gz XONWDTFFMRHYCP-UHFFFAOYSA-N 1 1 312.335 4.243 20 30 DIEDMO N#CCC[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC001204432433 1049162433 /nfs/dbraw/zinc/16/24/33/1049162433.db2.gz XONWDTFFMRHYCP-UHFFFAOYSA-N 1 1 312.335 4.243 20 30 DIEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCSCC2)cc1 ZINC001193043784 1049163754 /nfs/dbraw/zinc/16/37/54/1049163754.db2.gz JXRATJRNUHTURH-UHFFFAOYSA-N 1 1 308.450 4.164 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000485053035 1049172721 /nfs/dbraw/zinc/17/27/21/1049172721.db2.gz VMNUZMBKDCQZMB-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)C(C)C ZINC000775572946 1049181563 /nfs/dbraw/zinc/18/15/63/1049181563.db2.gz VFXWSXGNVXMCPL-UHFFFAOYSA-N 1 1 314.404 4.196 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589480 1049195430 /nfs/dbraw/zinc/19/54/30/1049195430.db2.gz 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CC(C)(C#N)c1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000594498453 1050518550 /nfs/dbraw/zinc/51/85/50/1050518550.db2.gz QKMXEFFMSXRORN-UHFFFAOYSA-N 1 1 322.456 4.089 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594612134 1050540018 /nfs/dbraw/zinc/54/00/18/1050540018.db2.gz LWEIBLSDWLPHMB-SXGWCWSVSA-N 1 1 318.420 4.124 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594612134 1050540026 /nfs/dbraw/zinc/54/00/26/1050540026.db2.gz LWEIBLSDWLPHMB-SXGWCWSVSA-N 1 1 318.420 4.124 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2cc(C#N)cc([N+](=O)[O-])c2)cc1 ZINC001211328085 1050546333 /nfs/dbraw/zinc/54/63/33/1050546333.db2.gz WBVRGHKIFPEADB-UHFFFAOYSA-N 1 1 310.357 4.056 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(O)cc1C(F)(F)F)C1CCCC1 ZINC001144386117 1050557108 /nfs/dbraw/zinc/55/71/08/1050557108.db2.gz RNJDBDUQZFESMA-UHFFFAOYSA-N 1 1 312.335 4.069 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(O)cc1C(F)(F)F)C1CCCC1 ZINC001144386117 1050557119 /nfs/dbraw/zinc/55/71/19/1050557119.db2.gz RNJDBDUQZFESMA-UHFFFAOYSA-N 1 1 312.335 4.069 20 30 DIEDMO CCN(CC)c1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000746655095 1050562879 /nfs/dbraw/zinc/56/28/79/1050562879.db2.gz SSDBVITUOLLBGH-UHFFFAOYSA-N 1 1 301.478 4.295 20 30 DIEDMO N#CC1(c2ccc(C[NH2+]Cc3c(F)cccc3Cl)cc2)CC1 ZINC000594925497 1050565173 /nfs/dbraw/zinc/56/51/73/1050565173.db2.gz MAIOUJRMQAFLRW-UHFFFAOYSA-N 1 1 314.791 4.324 20 30 DIEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000739930152 1050596877 /nfs/dbraw/zinc/59/68/77/1050596877.db2.gz JALDALRBXWQYHI-MRXNPFEDSA-N 1 1 315.379 4.417 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1c1cccc(F)c1 ZINC000746681370 1050598860 /nfs/dbraw/zinc/59/88/60/1050598860.db2.gz YLOPPDIJCBNVOI-FOIQADDNSA-N 1 1 324.399 4.311 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CCCCC1 ZINC000595091674 1050610307 /nfs/dbraw/zinc/61/03/07/1050610307.db2.gz TUKDQNABOUSTSE-KRWDZBQOSA-N 1 1 310.441 4.497 20 30 DIEDMO COC[C@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000595092004 1050612002 /nfs/dbraw/zinc/61/20/02/1050612002.db2.gz UMKOCLHNRQCKHM-INIZCTEOSA-N 1 1 306.837 4.091 20 30 DIEDMO COC[C@H]([NH2+]CC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000595091203 1050612026 /nfs/dbraw/zinc/61/20/26/1050612026.db2.gz NWJYHFNUBLYZIX-INIZCTEOSA-N 1 1 306.837 4.091 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Sc3ccccc3OC)C2)cc1 ZINC001144578502 1050618509 /nfs/dbraw/zinc/61/85/09/1050618509.db2.gz DTXDGOQNSXZJCY-GOSISDBHSA-N 1 1 323.461 4.043 20 30 DIEDMO CC[N@@H+](Cc1cnc2ccccc2n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295414 1050618688 /nfs/dbraw/zinc/61/86/88/1050618688.db2.gz LXXCTBYLXFHMQL-HNNXBMFYSA-N 1 1 316.408 4.085 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)[C@@H](CCC)C(=O)c2ccccc2)cc1 ZINC001144578948 1050618979 /nfs/dbraw/zinc/61/89/79/1050618979.db2.gz TZKIICHMUZQQFZ-FQEVSTJZSA-N 1 1 305.421 4.151 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CCC)C(=O)c2ccccc2)cc1 ZINC001144578948 1050618989 /nfs/dbraw/zinc/61/89/89/1050618989.db2.gz TZKIICHMUZQQFZ-FQEVSTJZSA-N 1 1 305.421 4.151 20 30 DIEDMO C#Cc1ccc(C[N@@H+](CCCCCCO)Cc2ccccc2)cc1 ZINC001144579123 1050619159 /nfs/dbraw/zinc/61/91/59/1050619159.db2.gz ZTGLRAJUMQYABP-UHFFFAOYSA-N 1 1 321.464 4.223 20 30 DIEDMO CC[C@H](CC(F)F)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000595332386 1050620897 /nfs/dbraw/zinc/62/08/97/1050620897.db2.gz CVSKEWYIZRVPJG-HYVNUMGLSA-N 1 1 306.400 4.440 20 30 DIEDMO C#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000787770172 1050622188 /nfs/dbraw/zinc/62/21/88/1050622188.db2.gz NWUAUHPHGUNCMF-UHFFFAOYSA-N 1 1 317.388 4.169 20 30 DIEDMO CC[C@H](CC(F)F)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000595409395 1050630668 /nfs/dbraw/zinc/63/06/68/1050630668.db2.gz WSCMMPOLJRSNQI-CQSZACIVSA-N 1 1 304.384 4.329 20 30 DIEDMO CCCCCCCCCC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000740877576 1050636553 /nfs/dbraw/zinc/63/65/53/1050636553.db2.gz JSHZTSDUIBATJP-UHFFFAOYSA-N 1 1 304.482 4.112 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000740877576 1050636567 /nfs/dbraw/zinc/63/65/67/1050636567.db2.gz JSHZTSDUIBATJP-UHFFFAOYSA-N 1 1 304.482 4.112 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000740878339 1050637608 /nfs/dbraw/zinc/63/76/08/1050637608.db2.gz ADCHYSGDDAERPW-UHFFFAOYSA-N 1 1 323.440 4.040 20 30 DIEDMO N#Cc1ccc(Nc2ccc([NH+]3CCCCCC3)cc2)c(N)c1 ZINC001213358210 1050638644 /nfs/dbraw/zinc/63/86/44/1050638644.db2.gz MTQRWCMJLWQDDM-UHFFFAOYSA-N 1 1 306.413 4.264 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615420 1050658412 /nfs/dbraw/zinc/65/84/12/1050658412.db2.gz QWKQOPVKKSUOEP-CHWSQXEVSA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@H](C[N@H+]1CCC[C@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622768 1050651431 /nfs/dbraw/zinc/65/14/31/1050651431.db2.gz CNPDAWORSGXIQK-ZIAGYGMSSA-N 1 1 310.363 4.435 20 30 DIEDMO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616642 1050652751 /nfs/dbraw/zinc/65/27/51/1050652751.db2.gz VGWFWKMXZDKZIL-CHWSQXEVSA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616642 1050652753 /nfs/dbraw/zinc/65/27/53/1050652753.db2.gz VGWFWKMXZDKZIL-CHWSQXEVSA-N 1 1 307.235 4.136 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000595614363 1050657096 /nfs/dbraw/zinc/65/70/96/1050657096.db2.gz LEXFBFDAJYFMOC-HNNXBMFYSA-N 1 1 310.363 4.264 20 30 DIEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613861 1050657929 /nfs/dbraw/zinc/65/79/29/1050657929.db2.gz IOTULOHZCMCNJL-QWHCGFSZSA-N 1 1 312.335 4.272 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1 ZINC000595675426 1050660842 /nfs/dbraw/zinc/66/08/42/1050660842.db2.gz MSQWFDKHAHCPRX-IBGZPJMESA-N 1 1 306.409 4.463 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cc1F ZINC000595754203 1050667972 /nfs/dbraw/zinc/66/79/72/1050667972.db2.gz WRXJZJWGWMYGSY-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cc1F ZINC000595754203 1050667978 /nfs/dbraw/zinc/66/79/78/1050667978.db2.gz WRXJZJWGWMYGSY-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cc(N[NH+]=C(C)c2ccc(N)cc2C)ccc1Cl ZINC000788467651 1050685724 /nfs/dbraw/zinc/68/57/24/1050685724.db2.gz LDBGLXJOTFXPDT-UHFFFAOYSA-N 1 1 303.793 4.075 20 30 DIEDMO Cc1cc(C(F)(F)F)cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]1 ZINC000596145109 1050689496 /nfs/dbraw/zinc/68/94/96/1050689496.db2.gz QWZYSLUPSUEORL-NSHDSACASA-N 1 1 305.303 4.454 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1Cl ZINC001171222491 1050712130 /nfs/dbraw/zinc/71/21/30/1050712130.db2.gz HLYSKODMZOAHEO-OAHLLOKOSA-N 1 1 312.844 4.317 20 30 DIEDMO C[C@@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1cccc(C#N)c1 ZINC000788607696 1050713870 /nfs/dbraw/zinc/71/38/70/1050713870.db2.gz CCNRWELFEARHKV-PXAZEXFGSA-N 1 1 312.800 4.134 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001171222991 1050714304 /nfs/dbraw/zinc/71/43/04/1050714304.db2.gz KZMFINGMGMBBSD-HNAYVOBHSA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001171221688 1050714906 /nfs/dbraw/zinc/71/49/06/1050714906.db2.gz SEXLSTWCGRQZNR-MGPUTAFESA-N 1 1 308.400 4.465 20 30 DIEDMO C=C1CCC(F)=CC1=Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160716059 1050717650 /nfs/dbraw/zinc/71/76/50/1050717650.db2.gz CXAJUJGMURYYTL-UHFFFAOYSA-N 1 1 319.811 4.440 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001171223343 1050717789 /nfs/dbraw/zinc/71/77/89/1050717789.db2.gz MZIHIKDHVRCTNW-JXFKEZNVSA-N 1 1 322.477 4.279 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001171228949 1050723540 /nfs/dbraw/zinc/72/35/40/1050723540.db2.gz JYCGTAXFLGUKBE-MRXNPFEDSA-N 1 1 304.437 4.283 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001171228243 1050723683 /nfs/dbraw/zinc/72/36/83/1050723683.db2.gz FHVAQKDBWGFDRR-VNCLNFNDSA-N 1 1 300.421 4.093 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001171229376 1050724329 /nfs/dbraw/zinc/72/43/29/1050724329.db2.gz MXOHNTSNUKNLSI-ZYSHUDEJSA-N 1 1 302.421 4.076 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(Cl)cc(OC)c1O ZINC000761182470 1050742686 /nfs/dbraw/zinc/74/26/86/1050742686.db2.gz FOHTVRPDOQQZRT-UHFFFAOYSA-N 1 1 323.845 4.304 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1c1ccccc1 ZINC000741807989 1050745525 /nfs/dbraw/zinc/74/55/25/1050745525.db2.gz OZKKVQIEAXQXQL-UWJYYQICSA-N 1 1 320.436 4.215 20 30 DIEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000741802161 1050748139 /nfs/dbraw/zinc/74/81/39/1050748139.db2.gz SGYCHSMTXPAIDR-LJQANCHMSA-N 1 1 308.425 4.042 20 30 DIEDMO CC[N@@H+](Cc1cnc(Cl)c(F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000846780241 1050750937 /nfs/dbraw/zinc/75/09/37/1050750937.db2.gz QBCAIUZNJHIOJM-LBPRGKRZSA-N 1 1 317.795 4.329 20 30 DIEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)Cc1ccccc1 ZINC001170094125 1050769719 /nfs/dbraw/zinc/76/97/19/1050769719.db2.gz GEHHKBGNYTWNKY-UHFFFAOYSA-N 1 1 317.404 4.192 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246635569 1050773207 /nfs/dbraw/zinc/77/32/07/1050773207.db2.gz CQBDZAKPUGAXJT-JKSUJKDBSA-N 1 1 302.453 4.056 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246635569 1050773208 /nfs/dbraw/zinc/77/32/08/1050773208.db2.gz CQBDZAKPUGAXJT-JKSUJKDBSA-N 1 1 302.453 4.056 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000601318485 1050786549 /nfs/dbraw/zinc/78/65/49/1050786549.db2.gz MYPBWLYYDUFVME-MSOLQXFVSA-N 1 1 300.352 4.449 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000597010182 1050794113 /nfs/dbraw/zinc/79/41/13/1050794113.db2.gz VLRSXHBOGVVJNK-FQEVSTJZSA-N 1 1 317.436 4.282 20 30 DIEDMO CC[N@@H+](Cc1cc2cc(Br)ccc2o1)C[C@H](C)C#N ZINC000596991744 1050795894 /nfs/dbraw/zinc/79/58/94/1050795894.db2.gz OJWLNIQNZGJORU-LLVKDONJSA-N 1 1 321.218 4.177 20 30 DIEDMO CC[N@H+](Cc1cc2cc(Br)ccc2o1)C[C@H](C)C#N ZINC000596991744 1050795909 /nfs/dbraw/zinc/79/59/09/1050795909.db2.gz OJWLNIQNZGJORU-LLVKDONJSA-N 1 1 321.218 4.177 20 30 DIEDMO COCc1csc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000597026114 1050797258 /nfs/dbraw/zinc/79/72/58/1050797258.db2.gz MLVCUXNSYYDTLS-UHFFFAOYSA-N 1 1 324.449 4.055 20 30 DIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597027033 1050797982 /nfs/dbraw/zinc/79/79/82/1050797982.db2.gz LCYSRGZWBIEHQB-MSOLQXFVSA-N 1 1 314.498 4.348 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000597116745 1050809253 /nfs/dbraw/zinc/80/92/53/1050809253.db2.gz IUVURJATOKSXSS-AWEZNQCLSA-N 1 1 308.347 4.016 20 30 DIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC(F)(F)CC1 ZINC000597133778 1050810484 /nfs/dbraw/zinc/81/04/84/1050810484.db2.gz YECCHFADKKIDLU-UHFFFAOYSA-N 1 1 304.384 4.251 20 30 DIEDMO CC1(CC(F)(F)F)C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597147327 1050812184 /nfs/dbraw/zinc/81/21/84/1050812184.db2.gz VDBGAXHMAINGQU-UHFFFAOYSA-N 1 1 308.347 4.016 20 30 DIEDMO Cc1ncsc1-c1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000597158102 1050814368 /nfs/dbraw/zinc/81/43/68/1050814368.db2.gz MWGVIOVTFCLGHA-UHFFFAOYSA-N 1 1 311.454 4.292 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3c(F)cccc3F)o2)C1 ZINC000597175095 1050817890 /nfs/dbraw/zinc/81/78/90/1050817890.db2.gz WGCMYQBRLZSGPQ-ZDUSSCGKSA-N 1 1 316.351 4.350 20 30 DIEDMO C/C(=C\c1ccccc1OC(F)F)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175589 1050818722 /nfs/dbraw/zinc/81/87/22/1050818722.db2.gz BPSXIYKZYUPXCY-GOFCXVBSSA-N 1 1 320.383 4.317 20 30 DIEDMO COc1ccc2ccccc2c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381674 1050824973 /nfs/dbraw/zinc/82/49/73/1050824973.db2.gz CCEXSORMFHMRJE-UHFFFAOYSA-N 1 1 320.367 4.149 20 30 DIEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000789450232 1050833861 /nfs/dbraw/zinc/83/38/61/1050833861.db2.gz LCAWYMNWFUHTCF-HZSPNIEDSA-N 1 1 306.837 4.109 20 30 DIEDMO CC(C)c1cc([NH+]=C(NO)c2ccccc2N)ccc1Cl ZINC001214318465 1050867158 /nfs/dbraw/zinc/86/71/58/1050867158.db2.gz ANJGKZJPUASHLG-UHFFFAOYSA-N 1 1 303.793 4.103 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001171307356 1050884271 /nfs/dbraw/zinc/88/42/71/1050884271.db2.gz MUNIURCZNLXECR-OAHLLOKOSA-N 1 1 308.263 4.422 20 30 DIEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171319444 1050918261 /nfs/dbraw/zinc/91/82/61/1050918261.db2.gz DXBCENGDDGTRQQ-CQSZACIVSA-N 1 1 320.864 4.222 20 30 DIEDMO C#CCOc1ccccc1C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000772987207 1050921812 /nfs/dbraw/zinc/92/18/12/1050921812.db2.gz HBXGDPUIKSPDMZ-GOSISDBHSA-N 1 1 315.363 4.218 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000773006210 1051017503 /nfs/dbraw/zinc/01/75/03/1051017503.db2.gz WBOJKDTUWLHQKF-GFCCVEGCSA-N 1 1 306.862 4.445 20 30 DIEDMO C#CC[C@H](N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115165 1051065210 /nfs/dbraw/zinc/06/52/10/1051065210.db2.gz MOBGTRBWHGOWNQ-NYVOZVTQSA-N 1 1 318.464 4.176 20 30 DIEDMO C#CC[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1ccccc1 ZINC000773115165 1051065223 /nfs/dbraw/zinc/06/52/23/1051065223.db2.gz MOBGTRBWHGOWNQ-NYVOZVTQSA-N 1 1 318.464 4.176 20 30 DIEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c(C)c1 ZINC000791606908 1051069103 /nfs/dbraw/zinc/06/91/03/1051069103.db2.gz WFZHUPGLYPUVMQ-IBGZPJMESA-N 1 1 320.436 4.195 20 30 DIEDMO C=CC[N@H+](Cc1cncc(Br)c1)C1CCCCC1 ZINC001206138612 1051121749 /nfs/dbraw/zinc/12/17/49/1051121749.db2.gz ATQNFNTZWUVRFL-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001171490587 1051144446 /nfs/dbraw/zinc/14/44/46/1051144446.db2.gz QLUMHHKAOFQCBO-FQEVSTJZSA-N 1 1 308.400 4.295 20 30 DIEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171540930 1051154246 /nfs/dbraw/zinc/15/42/46/1051154246.db2.gz DUAVZYIVCWXZRS-AWEZNQCLSA-N 1 1 322.374 4.119 20 30 DIEDMO CC[C@@H]1C[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231374 1051157280 /nfs/dbraw/zinc/15/72/80/1051157280.db2.gz AZJWUUWEUYPGQO-IAGOWNOFSA-N 1 1 306.837 4.013 20 30 DIEDMO CC[C@@H]1C[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001170231374 1051157285 /nfs/dbraw/zinc/15/72/85/1051157285.db2.gz AZJWUUWEUYPGQO-IAGOWNOFSA-N 1 1 306.837 4.013 20 30 DIEDMO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc2ncccc12 ZINC000792630591 1051183960 /nfs/dbraw/zinc/18/39/60/1051183960.db2.gz VMXVGLCSMSTGBJ-UHFFFAOYSA-N 1 1 316.408 4.038 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001170379173 1051199849 /nfs/dbraw/zinc/19/98/49/1051199849.db2.gz RYVJODVXHQNJPL-LMDPOFIKSA-N 1 1 300.421 4.215 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001171915125 1051238903 /nfs/dbraw/zinc/23/89/03/1051238903.db2.gz BEHFRDCCBXEUMG-UHFFFAOYSA-N 1 1 313.401 4.013 20 30 DIEDMO CC(C)([NH2+]Cc1nccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC001171911754 1051239106 /nfs/dbraw/zinc/23/91/06/1051239106.db2.gz WUBVRBFMKQLBOZ-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001171920803 1051240762 /nfs/dbraw/zinc/24/07/62/1051240762.db2.gz NNQQXVBIZYUVKL-SUMWQHHRSA-N 1 1 321.848 4.473 20 30 DIEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001171920801 1051241391 /nfs/dbraw/zinc/24/13/91/1051241391.db2.gz NNQQXVBIZYUVKL-DYVFJYSZSA-N 1 1 321.848 4.473 20 30 DIEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001171971858 1051260619 /nfs/dbraw/zinc/26/06/19/1051260619.db2.gz APOJZACIVFSZEY-UKRRQHHQSA-N 1 1 310.363 4.262 20 30 DIEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001171973632 1051265845 /nfs/dbraw/zinc/26/58/45/1051265845.db2.gz LVGBQFAORDBXIO-UKRRQHHQSA-N 1 1 310.363 4.262 20 30 DIEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC001172055754 1051272295 /nfs/dbraw/zinc/27/22/95/1051272295.db2.gz CQMWECBGGPNWKF-MRXNPFEDSA-N 1 1 322.493 4.207 20 30 DIEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000745946807 1051295962 /nfs/dbraw/zinc/29/59/62/1051295962.db2.gz KMLZZWXCNMTZKK-AWEZNQCLSA-N 1 1 306.837 4.110 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc2cccnc21 ZINC001172307285 1051333530 /nfs/dbraw/zinc/33/35/30/1051333530.db2.gz NNNGXPNKXNRDJY-INIZCTEOSA-N 1 1 315.420 4.169 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172307296 1051335065 /nfs/dbraw/zinc/33/50/65/1051335065.db2.gz NQQLIXYUADAVPS-UTKZUKDTSA-N 1 1 320.436 4.033 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001172307941 1051335462 /nfs/dbraw/zinc/33/54/62/1051335462.db2.gz RFEJLRGRKQEVJX-YJBOKZPZSA-N 1 1 308.400 4.118 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311987 1051337978 /nfs/dbraw/zinc/33/79/78/1051337978.db2.gz DEOCEOMTOLLHGD-KRWDZBQOSA-N 1 1 321.468 4.077 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319522 1051339282 /nfs/dbraw/zinc/33/92/82/1051339282.db2.gz NUEFQXBQGCMXLQ-HOTGVXAUSA-N 1 1 308.425 4.191 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001172318790 1051340681 /nfs/dbraw/zinc/34/06/81/1051340681.db2.gz IUHWWACXZODTSQ-BEFAXECRSA-N 1 1 308.400 4.118 20 30 DIEDMO C=C(C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)c1ccccc1 ZINC000379657322 1051356509 /nfs/dbraw/zinc/35/65/09/1051356509.db2.gz SBLKKHMKGCUZAE-KNQAVFIVSA-N 1 1 320.480 4.343 20 30 DIEDMO CCCCCCC[C@H](CC)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172346146 1051364301 /nfs/dbraw/zinc/36/43/01/1051364301.db2.gz GJTUVJPJWAZAKU-NSHDSACASA-N 1 1 307.360 4.317 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(Br)n1 ZINC000794261700 1051368798 /nfs/dbraw/zinc/36/87/98/1051368798.db2.gz ONSMOMFTJXULRV-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(Br)n1 ZINC000794261700 1051368811 /nfs/dbraw/zinc/36/88/11/1051368811.db2.gz ONSMOMFTJXULRV-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)CC(C)C)[C@H]2CC ZINC001172399406 1051398882 /nfs/dbraw/zinc/39/88/82/1051398882.db2.gz GZEHBPKKTULLSI-HBFSDRIKSA-N 1 1 320.521 4.233 20 30 DIEDMO CCCCCC[C@@](CC)([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172487486 1051409423 /nfs/dbraw/zinc/40/94/23/1051409423.db2.gz BQNIQLZVZNOOBV-FUHWJXTLSA-N 1 1 310.482 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)cc1Cl ZINC000183779048 1051413636 /nfs/dbraw/zinc/41/36/36/1051413636.db2.gz AJSBNXGQFAMTNO-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172502220 1051422176 /nfs/dbraw/zinc/42/21/76/1051422176.db2.gz TWMQTZDHVPTSDE-TXPKVOOTSA-N 1 1 300.446 4.074 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172505018 1051422370 /nfs/dbraw/zinc/42/23/70/1051422370.db2.gz IULGBUOSMAJVBH-INIZCTEOSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172505060 1051422988 /nfs/dbraw/zinc/42/29/88/1051422988.db2.gz JGOODNIHTCPEPG-HKUYNNGSSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCC[C@H](CC)N1CC[NH+](C2CCOCC2)CC1 ZINC001172505890 1051424045 /nfs/dbraw/zinc/42/40/45/1051424045.db2.gz WSAJFYLDCNRQKI-IBGZPJMESA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172505576 1051424404 /nfs/dbraw/zinc/42/44/04/1051424404.db2.gz PKZNEHSLSPIRDN-CVEARBPZSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172507778 1051425148 /nfs/dbraw/zinc/42/51/48/1051425148.db2.gz BLSIYEAUIYMANP-CVEARBPZSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCCC[C@@H](CC)N1CC[NH+](C2CCOCC2)CC1 ZINC001172505891 1051425165 /nfs/dbraw/zinc/42/51/65/1051425165.db2.gz WSAJFYLDCNRQKI-LJQANCHMSA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172505579 1051425495 /nfs/dbraw/zinc/42/54/95/1051425495.db2.gz PKZNEHSLSPIRDN-JKSUJKDBSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172510347 1051426071 /nfs/dbraw/zinc/42/60/71/1051426071.db2.gz ACJDEQATMIRLHT-WMZOPIPTSA-N 1 1 310.482 4.090 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172509128 1051426322 /nfs/dbraw/zinc/42/63/22/1051426322.db2.gz SZZKEEOZYUMJHP-PKOBYXMFSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001172510344 1051426369 /nfs/dbraw/zinc/42/63/69/1051426369.db2.gz ACJDEQATMIRLHT-AEFFLSMTSA-N 1 1 310.482 4.090 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512083 1051429149 /nfs/dbraw/zinc/42/91/49/1051429149.db2.gz YNSVRPJRRIMIGS-GUDVDZBRSA-N 1 1 322.537 4.458 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172563981 1051443224 /nfs/dbraw/zinc/44/32/24/1051443224.db2.gz SIBLIWXNUUFPAA-TZIWHRDSSA-N 1 1 302.421 4.253 20 30 DIEDMO CC[N@@H+](CCC#N)[C@@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575742 1051448573 /nfs/dbraw/zinc/44/85/73/1051448573.db2.gz YEXRYQOKAJPGAN-NSHDSACASA-N 1 1 300.780 4.175 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871555 1051455961 /nfs/dbraw/zinc/45/59/61/1051455961.db2.gz BMWPDENIPUROSA-FQEVSTJZSA-N 1 1 322.452 4.139 20 30 DIEDMO Cc1ccc2c(c1)C[C@H]([N@@H+](CCC#N)Cc1ccccc1)CC2 ZINC001172839954 1051527789 /nfs/dbraw/zinc/52/77/89/1051527789.db2.gz YDNARMSPFWTKBU-OAQYLSRUSA-N 1 1 304.437 4.268 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000177913196 1051554221 /nfs/dbraw/zinc/55/42/21/1051554221.db2.gz TZXHGGUQTAHRSB-INIZCTEOSA-N 1 1 310.441 4.248 20 30 DIEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172870482 1051555664 /nfs/dbraw/zinc/55/56/64/1051555664.db2.gz ZGWQNEKIXSVKQB-GVAFMPQTSA-N 1 1 306.812 4.177 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1C[C@@H](C)c2ccccc21 ZINC001169365196 1051589540 /nfs/dbraw/zinc/58/95/40/1051589540.db2.gz NGUMZWMNQICBEJ-CXAGYDPISA-N 1 1 304.397 4.278 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC001169451336 1051616079 /nfs/dbraw/zinc/61/60/79/1051616079.db2.gz HPKDYWBOYYBVIM-QZTJIDSGSA-N 1 1 309.494 4.197 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309758 1051681527 /nfs/dbraw/zinc/68/15/27/1051681527.db2.gz KWJJZLUALWRYIN-DLBZAZTESA-N 1 1 317.539 4.025 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccc(C)nc2)CC1 ZINC001173322987 1051692305 /nfs/dbraw/zinc/69/23/05/1051692305.db2.gz AGOTVCXEPSMQOH-CTWPCTMYSA-N 1 1 300.446 4.041 20 30 DIEDMO C=CCOC1CCC([N@@H+](CC)Cc2ccc(N(C)C)cc2)CC1 ZINC001173323423 1051692423 /nfs/dbraw/zinc/69/24/23/1051692423.db2.gz XYASUTVVTCUKQY-UHFFFAOYSA-N 1 1 316.489 4.088 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC001173322116 1051692528 /nfs/dbraw/zinc/69/25/28/1051692528.db2.gz VIDBENAHAUZSPW-ACBHZAAOSA-N 1 1 303.421 4.476 20 30 DIEDMO CCc1cc(Nc2ccc(Cn3cc[nH+]c3C)cc2)ccc1C#N ZINC001216315279 1051694268 /nfs/dbraw/zinc/69/42/68/1051694268.db2.gz YERJLABOZHQKCL-UHFFFAOYSA-N 1 1 316.408 4.418 20 30 DIEDMO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001169757837 1051694410 /nfs/dbraw/zinc/69/44/10/1051694410.db2.gz GTVAEQVCYTZDCF-RTBURBONSA-N 1 1 308.425 4.451 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC001173326776 1051695644 /nfs/dbraw/zinc/69/56/44/1051695644.db2.gz QGZSHDIXRQXGPD-UHFFFAOYSA-N 1 1 305.849 4.212 20 30 DIEDMO 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CCCC[N@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237270618 1055413577 /nfs/dbraw/zinc/41/35/77/1055413577.db2.gz RJMYVIPJMVIHAE-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc2nccc(Cl)c2c1 ZINC001237270618 1055413585 /nfs/dbraw/zinc/41/35/85/1055413585.db2.gz RJMYVIPJMVIHAE-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237294193 1055417692 /nfs/dbraw/zinc/41/76/92/1055417692.db2.gz HQBOCUWQJMTTKE-LJQANCHMSA-N 1 1 304.437 4.207 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2CCc2ccccc2)C1 ZINC001237294193 1055417697 /nfs/dbraw/zinc/41/76/97/1055417697.db2.gz HQBOCUWQJMTTKE-LJQANCHMSA-N 1 1 304.437 4.207 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001237306878 1055425029 /nfs/dbraw/zinc/42/50/29/1055425029.db2.gz LMMRDKUUUGYEPB-INIZCTEOSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001237306878 1055425034 /nfs/dbraw/zinc/42/50/34/1055425034.db2.gz 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C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237753028 1055522589 /nfs/dbraw/zinc/52/25/89/1055522589.db2.gz CIRGLTHRIGVCKQ-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1 ZINC001237751331 1055523149 /nfs/dbraw/zinc/52/31/49/1055523149.db2.gz IOUVWQHIWMAYTF-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237751892 1055523212 /nfs/dbraw/zinc/52/32/12/1055523212.db2.gz AEMFIDGPWGWODK-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C#CC[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001237751857 1055523578 /nfs/dbraw/zinc/52/35/78/1055523578.db2.gz QEAJZKRQZDWLJU-HXUWFJFHSA-N 1 1 320.823 4.334 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cc(-c3cccc(Cl)c3)no2)CC1 ZINC001237775232 1055528044 /nfs/dbraw/zinc/52/80/44/1055528044.db2.gz VJJRVMDCUMNCHL-UHFFFAOYSA-N 1 1 315.804 4.121 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC001237770119 1055529183 /nfs/dbraw/zinc/52/91/83/1055529183.db2.gz 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/nfs/dbraw/zinc/60/32/57/1055603257.db2.gz DVOHRPNYBSKLLF-UHFFFAOYSA-N 1 1 304.178 4.125 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1Cl ZINC001238191694 1055617012 /nfs/dbraw/zinc/61/70/12/1055617012.db2.gz PGCCIVDPYLBPAR-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1cccc2cccnc21 ZINC001238193974 1055617687 /nfs/dbraw/zinc/61/76/87/1055617687.db2.gz IISKYJNDUPMQSO-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)ccc1Cl ZINC001238194586 1055618533 /nfs/dbraw/zinc/61/85/33/1055618533.db2.gz QBXYDCGLZKWJQU-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO C#CC[N@@H+](Cc1cncc(C2CC2)c1)[C@@H]1CCc2ccccc21 ZINC001238190626 1055618617 /nfs/dbraw/zinc/61/86/17/1055618617.db2.gz TVQHZPXGMDISLK-OAQYLSRUSA-N 1 1 302.421 4.082 20 30 DIEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193115 1055618791 /nfs/dbraw/zinc/61/87/91/1055618791.db2.gz YHFJLGOSUHGBRZ-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(F)cc1Cl ZINC001238309923 1055638822 /nfs/dbraw/zinc/63/88/22/1055638822.db2.gz YTCSRHRZTHFFAF-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(F)cc1Cl ZINC001238309923 1055638826 /nfs/dbraw/zinc/63/88/26/1055638826.db2.gz YTCSRHRZTHFFAF-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(OCc3ccccc3)c2)C1 ZINC001238346086 1055643923 /nfs/dbraw/zinc/64/39/23/1055643923.db2.gz YQRXCADTZBHASL-KRWDZBQOSA-N 1 1 323.411 4.250 20 30 DIEDMO COc1cc(C[N@H+]2CCCC[C@@H]2c2ccccc2)ccc1C#N ZINC001238409624 1055653436 /nfs/dbraw/zinc/65/34/36/1055653436.db2.gz IUWIBPQUUDCVAG-LJQANCHMSA-N 1 1 306.409 4.294 20 30 DIEDMO CC(C)Oc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001238449615 1055660210 /nfs/dbraw/zinc/66/02/10/1055660210.db2.gz LACQOELTJRMZAT-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)c1 ZINC001238449615 1055660216 /nfs/dbraw/zinc/66/02/16/1055660216.db2.gz LACQOELTJRMZAT-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO Cc1ccc(OC(C)C)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238485770 1055670360 /nfs/dbraw/zinc/67/03/60/1055670360.db2.gz MJMICUBXSXBKHN-UHFFFAOYSA-N 1 1 300.446 4.441 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000387493791 1055676059 /nfs/dbraw/zinc/67/60/59/1055676059.db2.gz JKZHBECYBAOUHP-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1Oc1ccc(F)cc1 ZINC001238522321 1055677516 /nfs/dbraw/zinc/67/75/16/1055677516.db2.gz OSVZFOBJKUQBSL-UHFFFAOYSA-N 1 1 310.372 4.272 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238555301 1055684348 /nfs/dbraw/zinc/68/43/48/1055684348.db2.gz MJRRHDSMOLNRKW-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO C[C@]1(C#N)CC[N@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238588947 1055691991 /nfs/dbraw/zinc/69/19/91/1055691991.db2.gz QCWRBPGCNXUDOI-LJQANCHMSA-N 1 1 312.363 4.367 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2-c2ccc(F)cc2F)C1 ZINC001238588947 1055692001 /nfs/dbraw/zinc/69/20/01/1055692001.db2.gz QCWRBPGCNXUDOI-LJQANCHMSA-N 1 1 312.363 4.367 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cnc1-c1ccccc1 ZINC001238611416 1055695587 /nfs/dbraw/zinc/69/55/87/1055695587.db2.gz INMMDWYHUHEUHG-QGZVFWFLSA-N 1 1 305.425 4.183 20 30 DIEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1-c1ccccc1 ZINC001238615403 1055698266 /nfs/dbraw/zinc/69/82/66/1055698266.db2.gz OLMKEVQMLXLROC-IRTIRVBGSA-N 1 1 317.436 4.324 20 30 DIEDMO C=CC[N@H+](C)Cc1cc(-c2ccc(F)cc2OC)ccc1OC ZINC001238639275 1055706814 /nfs/dbraw/zinc/70/68/14/1055706814.db2.gz FMNXYWOODSMJTM-UHFFFAOYSA-N 1 1 315.388 4.128 20 30 DIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001238664771 1055711526 /nfs/dbraw/zinc/71/15/26/1055711526.db2.gz XZYLVVHLCHTHMW-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)C1 ZINC001238664771 1055711534 /nfs/dbraw/zinc/71/15/34/1055711534.db2.gz XZYLVVHLCHTHMW-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1cccc(OCC)c1Br ZINC001238696080 1055721861 /nfs/dbraw/zinc/72/18/61/1055721861.db2.gz OBZHMEJMHQVOTL-UHFFFAOYSA-N 1 1 312.251 4.246 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cccc(OCC)c1Br ZINC001238696080 1055721869 /nfs/dbraw/zinc/72/18/69/1055721869.db2.gz OBZHMEJMHQVOTL-UHFFFAOYSA-N 1 1 312.251 4.246 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cccc(OCc2ccccc2)c1OC ZINC001238748436 1055738953 /nfs/dbraw/zinc/73/89/53/1055738953.db2.gz DRHRIDYGUVYRFU-UHFFFAOYSA-N 1 1 323.436 4.448 20 30 DIEDMO CCc1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)ccc1C#N ZINC001238768995 1055744067 /nfs/dbraw/zinc/74/40/67/1055744067.db2.gz NZUVFPUARTUQJS-HXUWFJFHSA-N 1 1 305.425 4.161 20 30 DIEDMO CCc1cc(C[N@@H+](C)CCCc2cccc(OC)c2)ccc1C#N ZINC001238768113 1055744666 /nfs/dbraw/zinc/74/46/66/1055744666.db2.gz FYFSJOPVZLFUPN-UHFFFAOYSA-N 1 1 322.452 4.194 20 30 DIEDMO CCc1cc(C[N@H+]2CC[C@H](c3ccc(OC)cc3)C2)ccc1C#N ZINC001238768232 1055744758 /nfs/dbraw/zinc/74/47/58/1055744758.db2.gz HYAXTNKDDKGANV-FQEVSTJZSA-N 1 1 320.436 4.119 20 30 DIEDMO CCc1cc(C[N@H+]2CCSc3ccccc3C2)ccc1C#N ZINC001238769166 1055745471 /nfs/dbraw/zinc/74/54/71/1055745471.db2.gz PJIFTUVKSDDPHJ-UHFFFAOYSA-N 1 1 308.450 4.229 20 30 DIEDMO CCc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccc1C#N ZINC001238778211 1055749997 /nfs/dbraw/zinc/74/99/97/1055749997.db2.gz KUICWRFYHOVOQU-HXUWFJFHSA-N 1 1 322.477 4.411 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001566295977 1055759211 /nfs/dbraw/zinc/75/92/11/1055759211.db2.gz YYQZBNGZWGETTD-ROUUACIJSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001566990375 1055788639 /nfs/dbraw/zinc/78/86/39/1055788639.db2.gz XVTFYOVZVXWBRX-BZSNNMDCSA-N 1 1 310.526 4.314 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(C#N)c(F)c2)cc1 ZINC001238996424 1055816153 /nfs/dbraw/zinc/81/61/53/1055816153.db2.gz VUNGXIMOZPIJGP-IBGZPJMESA-N 1 1 307.372 4.082 20 30 DIEDMO CCCCCCCCC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001568904213 1055849812 /nfs/dbraw/zinc/84/98/12/1055849812.db2.gz KNFAFIXFQGBGSX-UHFFFAOYSA-N 1 1 316.489 4.080 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001569790892 1055873123 /nfs/dbraw/zinc/87/31/23/1055873123.db2.gz SHMUEQDDTNLMFB-QZTJIDSGSA-N 1 1 322.537 4.316 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]1(C)c1ccccc1 ZINC001620539626 1055965008 /nfs/dbraw/zinc/96/50/08/1055965008.db2.gz PDBURHQANARUEB-FQEVSTJZSA-N 1 1 306.409 4.078 20 30 DIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC001620646880 1055977838 /nfs/dbraw/zinc/97/78/38/1055977838.db2.gz VDBGUAMNTBSULY-CQSZACIVSA-N 1 1 308.853 4.264 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1csc(C)c1C ZINC001621030053 1055992621 /nfs/dbraw/zinc/99/26/21/1055992621.db2.gz SNPVOMGNYIWZIP-UHFFFAOYSA-N 1 1 319.857 4.320 20 30 DIEDMO C#C[C@H]([NH2+][C@H]1CS[C@H](C(C)C)C1)c1ccc(Cl)cc1F ZINC001621328509 1056036514 /nfs/dbraw/zinc/03/65/14/1056036514.db2.gz WMKVJDXWYNWLPR-KCXAZCMYSA-N 1 1 311.853 4.273 20 30 DIEDMO C=C(Br)C[NH2+][C@H](CC)c1ccccc1OC(F)F ZINC000765778532 1056070259 /nfs/dbraw/zinc/07/02/59/1056070259.db2.gz IJVKCOATTRGVGD-LLVKDONJSA-N 1 1 320.177 4.237 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001540963907 1056087515 /nfs/dbraw/zinc/08/75/15/1056087515.db2.gz KMULIISTJXXKOD-RCCFBDPRSA-N 1 1 308.510 4.116 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccc(F)cc2F)C2CC2)c(F)c1 ZINC001620819949 1056149981 /nfs/dbraw/zinc/14/99/81/1056149981.db2.gz HARFNONSPVGDLV-GOSISDBHSA-N 1 1 316.326 4.216 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(F)c(C#N)c(F)c2)nc1 ZINC001239921635 1056161035 /nfs/dbraw/zinc/16/10/35/1056161035.db2.gz CQBCGVRSTWTRST-GOSISDBHSA-N 1 1 313.351 4.055 20 30 DIEDMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016379883 1056173283 /nfs/dbraw/zinc/17/32/83/1056173283.db2.gz WVIVVBJONIWMRA-NRFANRHFSA-N 1 1 323.436 4.227 20 30 DIEDMO C=C(CC)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001583839320 1056182031 /nfs/dbraw/zinc/18/20/31/1056182031.db2.gz CBMRVNYWXWXLFE-UHFFFAOYSA-N 1 1 322.452 4.015 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132801 1056187520 /nfs/dbraw/zinc/18/75/20/1056187520.db2.gz FHTWSIZGOCTCNV-JKSUJKDBSA-N 1 1 306.475 4.035 20 30 DIEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nc2c(s1)CCCC2 ZINC000618802722 1056267582 /nfs/dbraw/zinc/26/75/82/1056267582.db2.gz FKLLLBNXIDYNMW-LRDDRELGSA-N 1 1 323.465 4.232 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cccc(F)c1C#N ZINC000301576320 1056332838 /nfs/dbraw/zinc/33/28/38/1056332838.db2.gz MJILTZIYSPQWGG-BEFAXECRSA-N 1 1 323.415 4.020 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3nccn3c2)cc1 ZINC001240220533 1056379123 /nfs/dbraw/zinc/37/91/23/1056379123.db2.gz GXUJVYUEVMWDKC-LJQANCHMSA-N 1 1 303.409 4.324 20 30 DIEDMO CC[N@@H+](C[Si](C)(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615230290 1056480010 /nfs/dbraw/zinc/48/00/10/1056480010.db2.gz VEUVPSANVDTGCU-KRWDZBQOSA-N 1 1 322.528 4.096 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001615319264 1056491391 /nfs/dbraw/zinc/49/13/91/1056491391.db2.gz RPCCLPBQPKJNAP-UHFFFAOYSA-N 1 1 317.436 4.397 20 30 DIEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1F ZINC001615313372 1056492202 /nfs/dbraw/zinc/49/22/02/1056492202.db2.gz ALWPJWUHIHEFDD-UHFFFAOYSA-N 1 1 318.342 4.388 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc(F)cc1F ZINC001615313372 1056492207 /nfs/dbraw/zinc/49/22/07/1056492207.db2.gz ALWPJWUHIHEFDD-UHFFFAOYSA-N 1 1 318.342 4.388 20 30 DIEDMO CC(C)[N@@H+](CCCCC#N)Cc1cccc(Br)c1 ZINC000338727726 1056499343 /nfs/dbraw/zinc/49/93/43/1056499343.db2.gz CPNILKHPABDHCT-UHFFFAOYSA-N 1 1 309.251 4.353 20 30 DIEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001615401655 1056503476 /nfs/dbraw/zinc/50/34/76/1056503476.db2.gz JBZCQRDDPFNAQZ-OAHLLOKOSA-N 1 1 321.262 4.331 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001615481147 1056515716 /nfs/dbraw/zinc/51/57/16/1056515716.db2.gz IBYPXRCYZXLHBC-NRFANRHFSA-N 1 1 304.437 4.306 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC001615558630 1056531908 /nfs/dbraw/zinc/53/19/08/1056531908.db2.gz HEADNLVQFCBZEF-DNVCBOLYSA-N 1 1 308.400 4.118 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC001615986124 1056603256 /nfs/dbraw/zinc/60/32/56/1056603256.db2.gz XKBKTUFFRAFLMO-KRWDZBQOSA-N 1 1 317.477 4.011 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998027 1056604086 /nfs/dbraw/zinc/60/40/86/1056604086.db2.gz AIEYJBSTAURWKD-MOPGFXCFSA-N 1 1 314.473 4.168 20 30 DIEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159977 1056616037 /nfs/dbraw/zinc/61/60/37/1056616037.db2.gz WLXLEBHKLJFOAK-QZTJIDSGSA-N 1 1 318.436 4.113 20 30 DIEDMO N#Cc1ccnc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC001616357019 1056641159 /nfs/dbraw/zinc/64/11/59/1056641159.db2.gz RZTYQSXIDAJWFK-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO C=CC[N@@H+](CCOC1CCCCCC1)Cc1cccc(C#N)c1 ZINC000112679078 1056648473 /nfs/dbraw/zinc/64/84/73/1056648473.db2.gz QLUIYIWZMUCORD-UHFFFAOYSA-N 1 1 312.457 4.286 20 30 DIEDMO C[C@@H](Nc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310502680 1056652830 /nfs/dbraw/zinc/65/28/30/1056652830.db2.gz JQJWCIHFGAKXLD-CRAIPNDOSA-N 1 1 323.415 4.020 20 30 DIEDMO Cc1ccccc1CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001616570556 1056679782 /nfs/dbraw/zinc/67/97/82/1056679782.db2.gz ULOAGNZNRQOZSW-UHFFFAOYSA-N 1 1 304.437 4.464 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)cc1 ZINC001616577057 1056681206 /nfs/dbraw/zinc/68/12/06/1056681206.db2.gz RONVSEFRVXWLGT-SFHVURJKSA-N 1 1 308.400 4.467 20 30 DIEDMO N#Cc1ccnc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC001616621837 1056688896 /nfs/dbraw/zinc/68/88/96/1056688896.db2.gz BVZUZWBPXQUKQT-LJQANCHMSA-N 1 1 309.388 4.113 20 30 DIEDMO C=C(Br)C[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC001616628738 1056690199 /nfs/dbraw/zinc/69/01/99/1056690199.db2.gz FNQYWUIELSWYTD-CYBMUJFWSA-N 1 1 304.178 4.304 20 30 DIEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000489033101 1056696653 /nfs/dbraw/zinc/69/66/53/1056696653.db2.gz ACYDQKHKZYYPRG-NRFANRHFSA-N 1 1 322.452 4.030 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC001616809234 1056721940 /nfs/dbraw/zinc/72/19/40/1056721940.db2.gz VVMWMFCIATXDRZ-GFCCVEGCSA-N 1 1 305.755 4.321 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 ZINC000922011611 1056736263 /nfs/dbraw/zinc/73/62/63/1056736263.db2.gz KQCBFXLTGJDYJM-SFHVURJKSA-N 1 1 317.383 4.293 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000311631997 1056742630 /nfs/dbraw/zinc/74/26/30/1056742630.db2.gz PBAJGRCFBVLLCE-WBMJQRKESA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000311631997 1056742643 /nfs/dbraw/zinc/74/26/43/1056742643.db2.gz PBAJGRCFBVLLCE-WBMJQRKESA-N 1 1 319.246 4.085 20 30 DIEDMO C=CCCCCC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC001616996691 1056757689 /nfs/dbraw/zinc/75/76/89/1056757689.db2.gz ALIFXQYKNPQLFE-KXTWHKPSSA-N 1 1 314.517 4.479 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1CCC(C#N)CC1)[C@H]2C ZINC001617124014 1056779600 /nfs/dbraw/zinc/77/96/00/1056779600.db2.gz ZYLGCMRNVBZGIJ-XNIRIUNOSA-N 1 1 312.457 4.333 20 30 DIEDMO C=CCCCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC001617197895 1056791596 /nfs/dbraw/zinc/79/15/96/1056791596.db2.gz GDYDXOQYHSIJHU-UHFFFAOYSA-N 1 1 301.352 4.372 20 30 DIEDMO CCCCCCCCCCC(C)(C)C(=O)N1CC[NH+](C)CC1 ZINC001587041374 1056853400 /nfs/dbraw/zinc/85/34/00/1056853400.db2.gz UVDGTDDGSVVZSA-UHFFFAOYSA-N 1 1 310.526 4.317 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CCCC1(C)C ZINC001617603619 1056855810 /nfs/dbraw/zinc/85/58/10/1056855810.db2.gz AJRJGPNETRUCME-INIZCTEOSA-N 1 1 324.509 4.310 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(C)c(C)c2)CCCC1(C)C ZINC001617604514 1056855855 /nfs/dbraw/zinc/85/58/55/1056855855.db2.gz UJENNHJTKQAXRF-GOSISDBHSA-N 1 1 314.473 4.309 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C(=O)OC)c(F)c2)CCCC1(C)C ZINC001617604932 1056855952 /nfs/dbraw/zinc/85/59/52/1056855952.db2.gz ZFWLKVAWFLVCCA-QGZVFWFLSA-N 1 1 319.420 4.179 20 30 DIEDMO C=CCCCCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001617668367 1056866308 /nfs/dbraw/zinc/86/63/08/1056866308.db2.gz VDPDXVGRIRSBSJ-IBGZPJMESA-N 1 1 315.457 4.331 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001617794143 1056882677 /nfs/dbraw/zinc/88/26/77/1056882677.db2.gz WEUJRNJKKSERJF-MRXNPFEDSA-N 1 1 308.381 4.100 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001617794143 1056882683 /nfs/dbraw/zinc/88/26/83/1056882683.db2.gz WEUJRNJKKSERJF-MRXNPFEDSA-N 1 1 308.381 4.100 20 30 DIEDMO COc1cc(C[NH2+][C@H](C)c2ccc(F)cc2Cl)ccc1C#N ZINC000555002386 1056882959 /nfs/dbraw/zinc/88/29/59/1056882959.db2.gz DFBULMJTNAAWMC-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001617790668 1056883240 /nfs/dbraw/zinc/88/32/40/1056883240.db2.gz AFRXNNYNEURJKB-FCHUYYIVSA-N 1 1 319.448 4.432 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001617790670 1056883988 /nfs/dbraw/zinc/88/39/88/1056883988.db2.gz AFRXNNYNEURJKB-VXKWHMMOSA-N 1 1 319.448 4.432 20 30 DIEDMO C#CC[N@H+](CCSc1ccnc2cc(Cl)ccc21)C1CC1 ZINC001617994037 1056911054 /nfs/dbraw/zinc/91/10/54/1056911054.db2.gz RRPCRCHMPXZKDL-UHFFFAOYSA-N 1 1 316.857 4.078 20 30 DIEDMO Fc1ccccc1[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001618122114 1056925758 /nfs/dbraw/zinc/92/57/58/1056925758.db2.gz HLPVPOGVRVAETF-INIZCTEOSA-N 1 1 313.803 4.320 20 30 DIEDMO Fc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001618122114 1056925766 /nfs/dbraw/zinc/92/57/66/1056925766.db2.gz HLPVPOGVRVAETF-INIZCTEOSA-N 1 1 313.803 4.320 20 30 DIEDMO C=C(C)CN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001618122794 1056925959 /nfs/dbraw/zinc/92/59/59/1056925959.db2.gz QDAFCFBIRXCPDH-NRFANRHFSA-N 1 1 314.517 4.228 20 30 DIEDMO C=C(C)C[N@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001618122794 1056925963 /nfs/dbraw/zinc/92/59/63/1056925963.db2.gz QDAFCFBIRXCPDH-NRFANRHFSA-N 1 1 314.517 4.228 20 30 DIEDMO C=C(C)C[N@@H+]1CCN(CCCc2ccccc2)C[C@@H]1CC(C)C ZINC001618122794 1056925964 /nfs/dbraw/zinc/92/59/64/1056925964.db2.gz QDAFCFBIRXCPDH-NRFANRHFSA-N 1 1 314.517 4.228 20 30 DIEDMO C#CCCCCCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001618170874 1056929065 /nfs/dbraw/zinc/92/90/65/1056929065.db2.gz BXSDEVKYCYXHPU-UHFFFAOYSA-N 1 1 313.485 4.377 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001618227524 1056937168 /nfs/dbraw/zinc/93/71/68/1056937168.db2.gz GVHJXNGCTPUIKZ-SJORKVTESA-N 1 1 324.509 4.288 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000011010988 1056939029 /nfs/dbraw/zinc/93/90/29/1056939029.db2.gz WRTILLGLEYQWKL-UHFFFAOYSA-N 1 1 308.425 4.337 20 30 DIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000314949670 1056948626 /nfs/dbraw/zinc/94/86/26/1056948626.db2.gz CDXQKTNRKZJELQ-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000315398729 1056961887 /nfs/dbraw/zinc/96/18/87/1056961887.db2.gz DZSCDYOCKCMHEV-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000315681296 1056969638 /nfs/dbraw/zinc/96/96/38/1056969638.db2.gz ZYBNDQIJJJLWDY-AWEZNQCLSA-N 1 1 314.816 4.283 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C(F)(F)F)cc1CC#N ZINC001241248913 1056979867 /nfs/dbraw/zinc/97/98/67/1056979867.db2.gz YTJQIVSREHWKLE-UHFFFAOYSA-N 1 1 319.330 4.208 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2cc(C#N)c(C#N)cc2c1 ZINC001241250484 1056980760 /nfs/dbraw/zinc/98/07/60/1056980760.db2.gz LMHPKVKRNUHYDA-UHFFFAOYSA-N 1 1 312.376 4.020 20 30 DIEDMO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1cc(F)ccc1OC ZINC000922618193 1057041522 /nfs/dbraw/zinc/04/15/22/1057041522.db2.gz HNUYOEFMLYZLGZ-OAHLLOKOSA-N 1 1 304.390 4.008 20 30 DIEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330991902 1057054602 /nfs/dbraw/zinc/05/46/02/1057054602.db2.gz ULXZMVHFOQWSQG-QGZVFWFLSA-N 1 1 324.428 4.009 20 30 DIEDMO N#CCc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1F ZINC001241504652 1057075948 /nfs/dbraw/zinc/07/59/48/1057075948.db2.gz XJMHTFQTTJURPO-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000156310176 1057076494 /nfs/dbraw/zinc/07/64/94/1057076494.db2.gz DGGMQYIEXUIGPB-HNNXBMFYSA-N 1 1 319.408 4.022 20 30 DIEDMO CC(C)C[N@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143164888 1057109727 /nfs/dbraw/zinc/10/97/27/1057109727.db2.gz QLZYBIOXVXPPEH-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1)Cc1c(F)ccc(C#N)c1F ZINC001143164888 1057109729 /nfs/dbraw/zinc/10/97/29/1057109729.db2.gz QLZYBIOXVXPPEH-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2CCC2CCCCC2)CCC1 ZINC001307584136 1057155140 /nfs/dbraw/zinc/15/51/40/1057155140.db2.gz SYHKREVFTKDIAP-RBUKOAKNSA-N 1 1 318.505 4.256 20 30 DIEDMO C[N@H+](CCc1cccc(Cl)c1)Cc1c(F)ccc(C#N)c1F ZINC001143173262 1057171364 /nfs/dbraw/zinc/17/13/64/1057171364.db2.gz UPFLPXCMPVZSRX-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1c(F)ccc(C#N)c1F ZINC001143173262 1057171367 /nfs/dbraw/zinc/17/13/67/1057171367.db2.gz UPFLPXCMPVZSRX-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO CC[C@H](C#N)c1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241818600 1057174265 /nfs/dbraw/zinc/17/42/65/1057174265.db2.gz YCSCYCVGILWSLB-GOSISDBHSA-N 1 1 320.436 4.203 20 30 DIEDMO C#Cc1cccc(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c1 ZINC001241916164 1057209710 /nfs/dbraw/zinc/20/97/10/1057209710.db2.gz KEOYXNXEMANNAE-UHFFFAOYSA-N 1 1 324.427 4.288 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(CO)c2)cc1 ZINC001241932324 1057215987 /nfs/dbraw/zinc/21/59/87/1057215987.db2.gz OGMRBJHAVWCFAS-FQEVSTJZSA-N 1 1 323.436 4.177 20 30 DIEDMO C#Cc1ccc(-c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC001242293664 1057324479 /nfs/dbraw/zinc/32/44/79/1057324479.db2.gz LWFOEFBSCOGJQN-UHFFFAOYSA-N 1 1 324.427 4.288 20 30 DIEDMO N#Cc1ncccc1-c1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001242312009 1057331139 /nfs/dbraw/zinc/33/11/39/1057331139.db2.gz NMFXJIRJQOBVRQ-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000766111752 1057346562 /nfs/dbraw/zinc/34/65/62/1057346562.db2.gz ZCVSTXSHIGQGQA-MSOLQXFVSA-N 1 1 308.510 4.070 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2C)nc1 ZINC001242473594 1057376426 /nfs/dbraw/zinc/37/64/26/1057376426.db2.gz DJNSYOJJOIDSJZ-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cncc(N(C)C)c2)cc1 ZINC001242529563 1057394989 /nfs/dbraw/zinc/39/49/89/1057394989.db2.gz VWIMSMHXTQOGRL-HXUWFJFHSA-N 1 1 307.441 4.138 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(F)cc2C#N)nc1 ZINC001242581915 1057414186 /nfs/dbraw/zinc/41/41/86/1057414186.db2.gz HJXVLZAKPJCCGD-LJQANCHMSA-N 1 1 309.388 4.306 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739498 1057464621 /nfs/dbraw/zinc/46/46/21/1057464621.db2.gz DNRDGLNGEFWWOX-FOIQADDNSA-N 1 1 312.457 4.401 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)c(C)c2)nc1 ZINC001242767432 1057468490 /nfs/dbraw/zinc/46/84/90/1057468490.db2.gz VWHUWUGSLYBEBQ-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000676639095 1057490862 /nfs/dbraw/zinc/49/08/62/1057490862.db2.gz FWZVTPVWCFIYFZ-FPOVZHCZSA-N 1 1 312.501 4.233 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)c(F)c1 ZINC000611229063 1057585338 /nfs/dbraw/zinc/58/53/38/1057585338.db2.gz BDUNVXHDBONMBR-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611260855 1057586870 /nfs/dbraw/zinc/58/68/70/1057586870.db2.gz JWZWPMMPQPOUIS-KRWDZBQOSA-N 1 1 317.436 4.281 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611260855 1057586874 /nfs/dbraw/zinc/58/68/74/1057586874.db2.gz JWZWPMMPQPOUIS-KRWDZBQOSA-N 1 1 317.436 4.281 20 30 DIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000611255673 1057587819 /nfs/dbraw/zinc/58/78/19/1057587819.db2.gz NBLLQDDWRLFQJB-UHFFFAOYSA-N 1 1 300.427 4.041 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000611394269 1057596233 /nfs/dbraw/zinc/59/62/33/1057596233.db2.gz ALFFZELTLWNNQC-FQEVSTJZSA-N 1 1 320.440 4.037 20 30 DIEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000611462487 1057600601 /nfs/dbraw/zinc/60/06/01/1057600601.db2.gz HSAZLPYAHJXJJI-MSOLQXFVSA-N 1 1 300.446 4.026 20 30 DIEDMO C[C@@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000611465951 1057601462 /nfs/dbraw/zinc/60/14/62/1057601462.db2.gz WQERPSCTWQBLLX-HWPZZCPQSA-N 1 1 316.763 4.135 20 30 DIEDMO C[C@H]([NH2+][C@@H]1COc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000611465952 1057601490 /nfs/dbraw/zinc/60/14/90/1057601490.db2.gz WQERPSCTWQBLLX-MGPLVRAMSA-N 1 1 316.763 4.135 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)cc2CO)cc1 ZINC001243253114 1057621683 /nfs/dbraw/zinc/62/16/83/1057621683.db2.gz SYOYBBYYIWIVND-OAQYLSRUSA-N 1 1 323.436 4.177 20 30 DIEDMO Cc1ccccc1C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731212049 1057737394 /nfs/dbraw/zinc/73/73/94/1057737394.db2.gz PSPHDEIXMFAMME-UHFFFAOYSA-N 1 1 306.409 4.062 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cn1ccc(-c2cccs2)n1 ZINC000731656598 1057750337 /nfs/dbraw/zinc/75/03/37/1057750337.db2.gz AIHSHVJVXRWQCF-UHFFFAOYSA-N 1 1 309.438 4.257 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cn1ccc(-c2cccs2)n1 ZINC000731656598 1057750339 /nfs/dbraw/zinc/75/03/39/1057750339.db2.gz AIHSHVJVXRWQCF-UHFFFAOYSA-N 1 1 309.438 4.257 20 30 DIEDMO Oc1ccccc1/C=N/C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000731936952 1057761677 /nfs/dbraw/zinc/76/16/77/1057761677.db2.gz CWUOPZSUOUPLTI-JJPOQTHGSA-N 1 1 320.436 4.007 20 30 DIEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732413440 1057775025 /nfs/dbraw/zinc/77/50/25/1057775025.db2.gz UYSBFUVWGMLFRB-GFCCVEGCSA-N 1 1 300.627 4.038 20 30 DIEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732413440 1057775027 /nfs/dbraw/zinc/77/50/27/1057775027.db2.gz UYSBFUVWGMLFRB-GFCCVEGCSA-N 1 1 300.627 4.038 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+]2Cc3ccccc3[C@@H](C)C2)c1O ZINC000732467412 1057775719 /nfs/dbraw/zinc/77/57/19/1057775719.db2.gz UZAIEDHWWMZGMC-HNNXBMFYSA-N 1 1 323.436 4.249 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CCO)cc2)cc1 ZINC001243852018 1057792916 /nfs/dbraw/zinc/79/29/16/1057792916.db2.gz OJXQGWUSWFJNTK-OAQYLSRUSA-N 1 1 307.437 4.211 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000733325137 1057812641 /nfs/dbraw/zinc/81/26/41/1057812641.db2.gz ZYXJVPNYDIPWEK-CQSZACIVSA-N 1 1 315.363 4.218 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(C3(C#N)CC3)c2)nc1 ZINC001244074110 1057859365 /nfs/dbraw/zinc/85/93/65/1057859365.db2.gz LNNDMVBWHYBAIQ-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244112765 1057872988 /nfs/dbraw/zinc/87/29/88/1057872988.db2.gz RMXZZDXICDNOKG-HXUWFJFHSA-N 1 1 320.440 4.139 20 30 DIEDMO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)cc1C#N ZINC001244481314 1057971899 /nfs/dbraw/zinc/97/18/99/1057971899.db2.gz AHPMTERILIAPAU-INIZCTEOSA-N 1 1 305.425 4.303 20 30 DIEDMO CCc1cc(-c2ccc([C@H]3CCCC[N@H+]3C)cn2)ccc1C#N ZINC001244952324 1058079854 /nfs/dbraw/zinc/07/98/54/1058079854.db2.gz OBNSOINMNKOUCQ-HXUWFJFHSA-N 1 1 305.425 4.339 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1 ZINC001245894228 1058602853 /nfs/dbraw/zinc/60/28/53/1058602853.db2.gz ZMCLQGPWSXFBJN-HXUWFJFHSA-N 1 1 318.420 4.171 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001556564366 1058613519 /nfs/dbraw/zinc/61/35/19/1058613519.db2.gz MDERIRZTXWGXQF-QZTJIDSGSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)CN1CCC([NH3+])CC1 ZINC001246013573 1058657103 /nfs/dbraw/zinc/65/71/03/1058657103.db2.gz HLMNBWNQZJHUTL-IBGZPJMESA-N 1 1 312.542 4.081 20 30 DIEDMO CCCCCCC[C@@H](CC(C)C)[NH2+]Cc1noc2c1CNCC2 ZINC001246133851 1058693660 /nfs/dbraw/zinc/69/36/60/1058693660.db2.gz KGDZZQDCYHLJAA-INIZCTEOSA-N 1 1 321.509 4.185 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001557510305 1058762814 /nfs/dbraw/zinc/76/28/14/1058762814.db2.gz RYDBVOPGLDNIFV-ZWKOTPCHSA-N 1 1 310.526 4.221 20 30 DIEDMO CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001278439725 1058787427 /nfs/dbraw/zinc/78/74/27/1058787427.db2.gz IUMWWQCBAIUYAO-KDURUIRLSA-N 1 1 303.494 4.024 20 30 DIEDMO CC[C@@H]1CC(N[C@@H](c2cccc(C#N)c2)C(C)C)C[C@@H](CC)[NH2+]1 ZINC001246300425 1058812302 /nfs/dbraw/zinc/81/23/02/1058812302.db2.gz NUFOTBOOGCPGHP-QWFCFKBJSA-N 1 1 313.489 4.154 20 30 DIEDMO C=CC[C@@H](N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001246492675 1058972061 /nfs/dbraw/zinc/97/20/61/1058972061.db2.gz XLJDFKIGJVNRQK-BHIFYINESA-N 1 1 320.480 4.257 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246638293 1059042942 /nfs/dbraw/zinc/04/29/42/1059042942.db2.gz LKBALMSYAVDMBX-IRXDYDNUSA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246638293 1059042965 /nfs/dbraw/zinc/04/29/65/1059042965.db2.gz LKBALMSYAVDMBX-IRXDYDNUSA-N 1 1 316.480 4.446 20 30 DIEDMO C=C(C)[C@@H](Nc1cc(CC)[nH+]c(C)n1)c1ccc(F)c(F)c1 ZINC001559169531 1059054277 /nfs/dbraw/zinc/05/42/77/1059054277.db2.gz RBVPUQYWYROXAF-QGZVFWFLSA-N 1 1 303.356 4.355 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246706146 1059068016 /nfs/dbraw/zinc/06/80/16/1059068016.db2.gz QKEYGLBFXUJDJL-QGZVFWFLSA-N 1 1 321.509 4.110 20 30 DIEDMO C[NH2+]CC[C@H](C)N(Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001246888039 1059156100 /nfs/dbraw/zinc/15/61/00/1059156100.db2.gz QIRSZTLCXJZBJE-ZWKOTPCHSA-N 1 1 321.468 4.119 20 30 DIEDMO CCCCCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC001530893365 1059177627 /nfs/dbraw/zinc/17/76/27/1059177627.db2.gz XRUNSTYHUDQKMT-FGTMMUONSA-N 1 1 310.526 4.457 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+](CCOCC)C1CCNCC1 ZINC001246949808 1059196633 /nfs/dbraw/zinc/19/66/33/1059196633.db2.gz LTQOYGIRFWBLBP-GOSISDBHSA-N 1 1 312.542 4.216 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](CCOCC)C1CCNCC1 ZINC001246949808 1059196642 /nfs/dbraw/zinc/19/66/42/1059196642.db2.gz LTQOYGIRFWBLBP-GOSISDBHSA-N 1 1 312.542 4.216 20 30 DIEDMO CCCCCCC[C@H](C)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955901 1059201262 /nfs/dbraw/zinc/20/12/62/1059201262.db2.gz VJGZMIFIKKBKNL-SFHVURJKSA-N 1 1 317.521 4.385 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978595 1059225361 /nfs/dbraw/zinc/22/53/61/1059225361.db2.gz WKKUEOFZLCRNBR-XJKSGUPXSA-N 1 1 312.379 4.006 20 30 DIEDMO C=CCC[C@H](C)N1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978595 1059225366 /nfs/dbraw/zinc/22/53/66/1059225366.db2.gz WKKUEOFZLCRNBR-XJKSGUPXSA-N 1 1 312.379 4.006 20 30 DIEDMO Cc1cccc(OCC[N@H+](C)Cc2ccccc2C(C)(C)C#N)c1 ZINC001559488082 1059261851 /nfs/dbraw/zinc/26/18/51/1059261851.db2.gz WUFWMDAIUGYIJR-UHFFFAOYSA-N 1 1 322.452 4.307 20 30 DIEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493021 1059270479 /nfs/dbraw/zinc/27/04/79/1059270479.db2.gz MOLLOIYKKQHUSO-YLJYHZDGSA-N 1 1 317.473 4.279 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001559494236 1059274064 /nfs/dbraw/zinc/27/40/64/1059274064.db2.gz ZVGYKVNSQGLSPR-TVPLGVNVSA-N 1 1 300.421 4.163 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001559498897 1059277903 /nfs/dbraw/zinc/27/79/03/1059277903.db2.gz BZFDRZDNJRLLCC-JOCHJYFZSA-N 1 1 318.464 4.184 20 30 DIEDMO COCC[N@@H+](CCc1ccccc1)CCC1(C#N)CCCCC1 ZINC001559503107 1059286812 /nfs/dbraw/zinc/28/68/12/1059286812.db2.gz WJUKDTZWWFRVST-UHFFFAOYSA-N 1 1 314.473 4.042 20 30 DIEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(Cl)cc2)cc1C ZINC001559524928 1059319665 /nfs/dbraw/zinc/31/96/65/1059319665.db2.gz VDBNQEMHYJJAQV-UHFFFAOYSA-N 1 1 313.828 4.141 20 30 DIEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCCCC1 ZINC001559540074 1059340060 /nfs/dbraw/zinc/34/00/60/1059340060.db2.gz UHMPTEJUDXWHQW-UHFFFAOYSA-N 1 1 318.417 4.172 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566767 1059394321 /nfs/dbraw/zinc/39/43/21/1059394321.db2.gz NFRHULACKOQOOM-FOIQADDNSA-N 1 1 311.375 4.399 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC001559570708 1059401621 /nfs/dbraw/zinc/40/16/21/1059401621.db2.gz ZVDAUXJTEHAFBJ-RDTXWAMCSA-N 1 1 324.424 4.442 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574448 1059404675 /nfs/dbraw/zinc/40/46/75/1059404675.db2.gz ZQOFRWVJPLRMFN-SCLBCKFNSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574448 1059404686 /nfs/dbraw/zinc/40/46/86/1059404686.db2.gz ZQOFRWVJPLRMFN-SCLBCKFNSA-N 1 1 312.363 4.420 20 30 DIEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574399 1059405838 /nfs/dbraw/zinc/40/58/38/1059405838.db2.gz YOUZLYMECGBEQG-IRXDYDNUSA-N 1 1 304.478 4.130 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001559612542 1059443714 /nfs/dbraw/zinc/44/37/14/1059443714.db2.gz VZEDGKVPSJFBQJ-IAGOWNOFSA-N 1 1 306.494 4.376 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626467 1059456193 /nfs/dbraw/zinc/45/61/93/1059456193.db2.gz UGHJVMYKCHZTIG-IRXDYDNUSA-N 1 1 324.509 4.358 20 30 DIEDMO CC#CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC001559673993 1059498613 /nfs/dbraw/zinc/49/86/13/1059498613.db2.gz ANQPICNWEUEKGU-SFTDATJTSA-N 1 1 305.421 4.249 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cc(F)c(F)c(F)c1 ZINC001559678106 1059505949 /nfs/dbraw/zinc/50/59/49/1059505949.db2.gz RIBJDOMSYYHYLA-UHFFFAOYSA-N 1 1 310.363 4.400 20 30 DIEDMO C#CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC001559688075 1059517698 /nfs/dbraw/zinc/51/76/98/1059517698.db2.gz GFFJTVCXCRBSJA-WMZOPIPTSA-N 1 1 315.457 4.108 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(C)c(F)cc2F)no1 ZINC001247639303 1059580667 /nfs/dbraw/zinc/58/06/67/1059580667.db2.gz KBNAHSYIXLNNQQ-HNNXBMFYSA-N 1 1 321.371 4.460 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(F)c2)no1 ZINC001247637743 1059581146 /nfs/dbraw/zinc/58/11/46/1059581146.db2.gz CZRTYOZNMCKKAQ-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2F)no1 ZINC001247639560 1059583490 /nfs/dbraw/zinc/58/34/90/1059583490.db2.gz KVWRKXFAKMUFLY-HNNXBMFYSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(COC)c2)no1 ZINC001247640998 1059587556 /nfs/dbraw/zinc/58/75/56/1059587556.db2.gz ZHCJNQUWPKBZBJ-INIZCTEOSA-N 1 1 315.417 4.019 20 30 DIEDMO CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247696604 1059591787 /nfs/dbraw/zinc/59/17/87/1059591787.db2.gz WKUIHZUXWBIRPE-OAHLLOKOSA-N 1 1 312.417 4.096 20 30 DIEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC001559793172 1059628754 /nfs/dbraw/zinc/62/87/54/1059628754.db2.gz GCUQJONFXHGUKC-LJQANCHMSA-N 1 1 322.456 4.119 20 30 DIEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC001559793172 1059628762 /nfs/dbraw/zinc/62/87/62/1059628762.db2.gz GCUQJONFXHGUKC-LJQANCHMSA-N 1 1 322.456 4.119 20 30 DIEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)c2ccccc2c1 ZINC001559797335 1059631604 /nfs/dbraw/zinc/63/16/04/1059631604.db2.gz NKNCYYQPRBEKNF-GFCCVEGCSA-N 1 1 302.215 4.056 20 30 DIEDMO C#CCOCC[N@H+](C)[C@H](c1ccc(Cl)cc1)C(CC)CC ZINC001559802972 1059638251 /nfs/dbraw/zinc/63/82/51/1059638251.db2.gz RBNFKYOPAWUWCT-SFHVURJKSA-N 1 1 307.865 4.399 20 30 DIEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(CC)cc1)Cc1ccccc1 ZINC001559807560 1059644083 /nfs/dbraw/zinc/64/40/83/1059644083.db2.gz HUAHGAXAUJGMOK-UHFFFAOYSA-N 1 1 322.452 4.266 20 30 DIEDMO C=C(C)C[N@H+](CC(=O)Nc1ccc(CC)cc1)Cc1ccccc1 ZINC001559807560 1059644093 /nfs/dbraw/zinc/64/40/93/1059644093.db2.gz HUAHGAXAUJGMOK-UHFFFAOYSA-N 1 1 322.452 4.266 20 30 DIEDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247853091 1059645899 /nfs/dbraw/zinc/64/58/99/1059645899.db2.gz XIAIGAYFSROMCJ-QGZVFWFLSA-N 1 1 320.396 4.197 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc([C@@H](C)[NH3+])n2)cc1 ZINC001247940518 1059650700 /nfs/dbraw/zinc/65/07/00/1059650700.db2.gz MXLZBGQWAFWLIZ-CYBMUJFWSA-N 1 1 303.406 4.106 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(C)ccc1OC(F)F ZINC001559819968 1059651447 /nfs/dbraw/zinc/65/14/47/1059651447.db2.gz FHHIDBDTKAHHGU-UHFFFAOYSA-N 1 1 315.363 4.232 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1OC(F)F ZINC001559819968 1059651461 /nfs/dbraw/zinc/65/14/61/1059651461.db2.gz FHHIDBDTKAHHGU-UHFFFAOYSA-N 1 1 315.363 4.232 20 30 DIEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC001247963023 1059656973 /nfs/dbraw/zinc/65/69/73/1059656973.db2.gz JNQAKBXTVBOALR-INIZCTEOSA-N 1 1 307.353 4.105 20 30 DIEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(-c3ccc(C)cc3)cc2)no1 ZINC001247963342 1059657018 /nfs/dbraw/zinc/65/70/18/1059657018.db2.gz NQKSXZLHMRHHNY-KRWDZBQOSA-N 1 1 305.381 4.288 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873403 1059691403 /nfs/dbraw/zinc/69/14/03/1059691403.db2.gz QLMVUWRPTJXXMN-MOPGFXCFSA-N 1 1 307.453 4.147 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC001559879781 1059698670 /nfs/dbraw/zinc/69/86/70/1059698670.db2.gz QOPWOMYVFPOKCY-YOEHRIQHSA-N 1 1 300.446 4.213 20 30 DIEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001559898418 1059711998 /nfs/dbraw/zinc/71/19/98/1059711998.db2.gz XDINHRLDWMKDDT-OAHLLOKOSA-N 1 1 315.819 4.394 20 30 DIEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC001559903936 1059720553 /nfs/dbraw/zinc/72/05/53/1059720553.db2.gz RQUHJOMORNEWCO-LLVKDONJSA-N 1 1 307.235 4.084 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911969 1059729653 /nfs/dbraw/zinc/72/96/53/1059729653.db2.gz QJISKVKAVZEGST-VQTJNVASSA-N 1 1 305.425 4.111 20 30 DIEDMO C=CCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC001559926257 1059740774 /nfs/dbraw/zinc/74/07/74/1059740774.db2.gz MQJAKGYKBWNLMV-BBWFWOEESA-N 1 1 324.509 4.214 20 30 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CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001252987708 1061780143 /nfs/dbraw/zinc/78/01/43/1061780143.db2.gz VYZDBMBBOJNZRC-YRPNKDGESA-N 1 1 324.553 4.093 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001253239846 1061837123 /nfs/dbraw/zinc/83/71/23/1061837123.db2.gz UGEQPNBBSWXOPH-PKOBYXMFSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001253239136 1061837353 /nfs/dbraw/zinc/83/73/53/1061837353.db2.gz KOKSGUCCKKOPCN-RBUKOAKNSA-N 1 1 316.489 4.149 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccc(Cl)nc1 ZINC001253241558 1061842927 /nfs/dbraw/zinc/84/29/27/1061842927.db2.gz XPAMKYTZKNQJEW-INIZCTEOSA-N 1 1 310.869 4.054 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC001474324306 1061906612 /nfs/dbraw/zinc/90/66/12/1061906612.db2.gz QOLBCYLWFPCVGO-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1csc(C#N)c1 ZINC001474331659 1061921943 /nfs/dbraw/zinc/92/19/43/1061921943.db2.gz 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C[N@@H+](CCCCc1ccccc1)CCCOc1ccc(C#N)cc1 ZINC001459307442 1062077793 /nfs/dbraw/zinc/07/77/93/1062077793.db2.gz CUBILBMXXFFHGL-UHFFFAOYSA-N 1 1 322.452 4.282 20 30 DIEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001474420434 1062090783 /nfs/dbraw/zinc/09/07/83/1062090783.db2.gz URJRZWXILXDSJV-HXUWFJFHSA-N 1 1 308.400 4.295 20 30 DIEDMO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cccc(C#N)n2)cc1 ZINC001474420592 1062092747 /nfs/dbraw/zinc/09/27/47/1062092747.db2.gz YCWKFVLBNCLUPU-MRXNPFEDSA-N 1 1 319.330 4.045 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC001254388799 1062092825 /nfs/dbraw/zinc/09/28/25/1062092825.db2.gz IKMVAHHVHOYDLN-UWJYYQICSA-N 1 1 320.436 4.300 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC001459333675 1062094534 /nfs/dbraw/zinc/09/45/34/1062094534.db2.gz KLLYERJRVRBKJK-OAQYLSRUSA-N 1 1 304.437 4.464 20 30 DIEDMO C#Cc1cccc(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC001474423636 1062096883 /nfs/dbraw/zinc/09/68/83/1062096883.db2.gz KVNZBANKJSBYGA-IRLDBZIGSA-N 1 1 316.448 4.448 20 30 DIEDMO C=CC[N@H+](CCCc1scnc1C)Cc1ccc(OC)cc1 ZINC001459340147 1062098511 /nfs/dbraw/zinc/09/85/11/1062098511.db2.gz BFENHXCLNDDUTI-UHFFFAOYSA-N 1 1 316.470 4.081 20 30 DIEDMO FC(F)(F)C(F)(F)C(F)(F)C[NH2+]C1CCC2(CC2)CC1 ZINC001254432287 1062099154 /nfs/dbraw/zinc/09/91/54/1062099154.db2.gz DLXCYMFRMWZLEC-UHFFFAOYSA-N 1 1 307.253 4.132 20 30 DIEDMO C=CC[N@H+](CCOC1CCCCC1)Cc1ccc(OC)cc1 ZINC001459345205 1062100760 /nfs/dbraw/zinc/10/07/60/1062100760.db2.gz QRZBJHQCYDOGBG-UHFFFAOYSA-N 1 1 303.446 4.033 20 30 DIEDMO C=CC[N@H+](Cc1cc2cc(Br)ccc2o1)C1CC1 ZINC001474428236 1062101699 /nfs/dbraw/zinc/10/16/99/1062101699.db2.gz XDPSWGAJYDJHBB-UHFFFAOYSA-N 1 1 306.203 4.346 20 30 DIEDMO CC(C)C[N@@H+](CCN(C)c1ccccc1)Cc1ccc(C#N)cc1 ZINC001459384090 1062119956 /nfs/dbraw/zinc/11/99/56/1062119956.db2.gz DHXJYXAEJUIEPE-UHFFFAOYSA-N 1 1 321.468 4.153 20 30 DIEDMO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)CCO2)cc1 ZINC001474444792 1062123652 /nfs/dbraw/zinc/12/36/52/1062123652.db2.gz TZYDJKOFADOGQL-OAQYLSRUSA-N 1 1 320.436 4.003 20 30 DIEDMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)CCO2)cc1 ZINC001474444792 1062123664 /nfs/dbraw/zinc/12/36/64/1062123664.db2.gz TZYDJKOFADOGQL-OAQYLSRUSA-N 1 1 320.436 4.003 20 30 DIEDMO C#CC[N@H+](Cc1cc(F)ccc1OC(F)F)C1CCCCC1 ZINC001459389948 1062124414 /nfs/dbraw/zinc/12/44/14/1062124414.db2.gz FJDWWRYOVNIRSF-UHFFFAOYSA-N 1 1 311.347 4.195 20 30 DIEDMO C=CC[N@@H+](CC(=O)OCC)CC1CCC(c2ccccc2)CC1 ZINC001459387473 1062125252 /nfs/dbraw/zinc/12/52/52/1062125252.db2.gz FIUHACJUXXMSQG-UHFFFAOYSA-N 1 1 315.457 4.012 20 30 DIEDMO C=CC[N@H+](CC(=O)OCC)CC1CCC(c2ccccc2)CC1 ZINC001459387473 1062125270 /nfs/dbraw/zinc/12/52/70/1062125270.db2.gz FIUHACJUXXMSQG-UHFFFAOYSA-N 1 1 315.457 4.012 20 30 DIEDMO C=CC[N@H+](CCCSC(C)(C)C)Cc1cccc(C#N)c1 ZINC001459399571 1062128813 /nfs/dbraw/zinc/12/88/13/1062128813.db2.gz MKTXXDIOCIWHSE-UHFFFAOYSA-N 1 1 302.487 4.468 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)cc1C ZINC001459438090 1062145123 /nfs/dbraw/zinc/14/51/23/1062145123.db2.gz LVOHYDMGTGMFHZ-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482750 1062160582 /nfs/dbraw/zinc/16/05/82/1062160582.db2.gz HIYZRRXDSMXKPG-MAUKXSAKSA-N 1 1 308.400 4.384 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cn(-c3ccccc3C)nn2)CCCC1(C)C ZINC001474481947 1062161413 /nfs/dbraw/zinc/16/14/13/1062161413.db2.gz LPHNHPVBRTYBRU-LJQANCHMSA-N 1 1 324.472 4.142 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001459486252 1062164007 /nfs/dbraw/zinc/16/40/07/1062164007.db2.gz RPGYFCOFLGJPRR-KRWDZBQOSA-N 1 1 320.864 4.124 20 30 DIEDMO C=CC[N@@H+](CC1CCCCC1)C[C@](C)(O)c1ccc(F)cc1 ZINC001459492327 1062165606 /nfs/dbraw/zinc/16/56/06/1062165606.db2.gz VRXLHHJOIXQCHC-IBGZPJMESA-N 1 1 305.437 4.102 20 30 DIEDMO CCCCCCCCC[C@@H](C)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001467648334 1062172171 /nfs/dbraw/zinc/17/21/71/1062172171.db2.gz PIZSPSIHZFPOAR-QRVBRYPASA-N 1 1 322.537 4.173 20 30 DIEDMO C=C(C)C[N@H+](Cc1cc(COC)cs1)Cc1ccccc1 ZINC001474493466 1062173190 /nfs/dbraw/zinc/17/31/90/1062173190.db2.gz QKUJSMGCBMJZMF-UHFFFAOYSA-N 1 1 301.455 4.473 20 30 DIEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC001459516088 1062179556 /nfs/dbraw/zinc/17/95/56/1062179556.db2.gz RVOLDACQCRFHLJ-LJQANCHMSA-N 1 1 312.363 4.216 20 30 DIEDMO COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC001459523786 1062183890 /nfs/dbraw/zinc/18/38/90/1062183890.db2.gz FDXMTQBUBQMMAH-CABCVRRESA-N 1 1 320.864 4.295 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535180 1062189892 /nfs/dbraw/zinc/18/98/92/1062189892.db2.gz YVBORSVSLILRDB-ZCNNSNEGSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535180 1062189899 /nfs/dbraw/zinc/18/98/99/1062189899.db2.gz YVBORSVSLILRDB-ZCNNSNEGSA-N 1 1 324.468 4.107 20 30 DIEDMO COc1cccc(SCC[N@H+](CCC#N)CC(C)(C)C)c1 ZINC001459537916 1062194151 /nfs/dbraw/zinc/19/41/51/1062194151.db2.gz GUJDPUHHGWAYEZ-UHFFFAOYSA-N 1 1 306.475 4.049 20 30 DIEDMO COc1cccc(SCC[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC001459537916 1062194161 /nfs/dbraw/zinc/19/41/61/1062194161.db2.gz GUJDPUHHGWAYEZ-UHFFFAOYSA-N 1 1 306.475 4.049 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001459540081 1062196386 /nfs/dbraw/zinc/19/63/86/1062196386.db2.gz ISFVRUFNFLJZTJ-QGZVFWFLSA-N 1 1 303.421 4.467 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@H](C)CCC#N ZINC001474514562 1062198203 /nfs/dbraw/zinc/19/82/03/1062198203.db2.gz AGOKXRIOWLYFAM-NUJGCVRESA-N 1 1 300.446 4.408 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC001254659694 1062218695 /nfs/dbraw/zinc/21/86/95/1062218695.db2.gz BFYHYNWPXSJADL-XJKCOSOUSA-N 1 1 319.246 4.278 20 30 DIEDMO C#CC[N@@H+](CC#CC)Cc1c(OC(C)C)ccc2ccccc21 ZINC001459577711 1062221214 /nfs/dbraw/zinc/22/12/14/1062221214.db2.gz OKAPQMYSXWCUDP-UHFFFAOYSA-N 1 1 305.421 4.086 20 30 DIEDMO C#CC[N@H+](CC#CC)Cc1c(OC(C)C)ccc2ccccc21 ZINC001459577711 1062221232 /nfs/dbraw/zinc/22/12/32/1062221232.db2.gz OKAPQMYSXWCUDP-UHFFFAOYSA-N 1 1 305.421 4.086 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577845 1062222326 /nfs/dbraw/zinc/22/23/26/1062222326.db2.gz OVRNRERSHRQWAG-MGPUTAFESA-N 1 1 308.400 4.323 20 30 DIEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667969 1062223936 /nfs/dbraw/zinc/22/39/36/1062223936.db2.gz FUYHFZPESZUYAP-SCWSEQNSSA-N 1 1 302.421 4.326 20 30 DIEDMO C[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254674963 1062227554 /nfs/dbraw/zinc/22/75/54/1062227554.db2.gz BFDQWHFVERREKT-LALPHHSUSA-N 1 1 307.235 4.134 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673922 1062227806 /nfs/dbraw/zinc/22/78/06/1062227806.db2.gz REGUZJRTGBLZQL-GDLHICMESA-N 1 1 321.251 4.259 20 30 DIEDMO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254674381 1062227929 /nfs/dbraw/zinc/22/79/29/1062227929.db2.gz YEPYRHITURATQU-HBGVWJBISA-N 1 1 322.452 4.276 20 30 DIEDMO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254679612 1062229414 /nfs/dbraw/zinc/22/94/14/1062229414.db2.gz NQCRZKQPPBQMAE-KBAYOESNSA-N 1 1 312.457 4.345 20 30 DIEDMO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254679613 1062231010 /nfs/dbraw/zinc/23/10/10/1062231010.db2.gz NQCRZKQPPBQMAE-NXHRZFHOSA-N 1 1 312.457 4.345 20 30 DIEDMO CC(C)[C@@H]1[N@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001474550305 1062247844 /nfs/dbraw/zinc/24/78/44/1062247844.db2.gz PXYBCMYEUZJBIM-HNNXBMFYSA-N 1 1 321.262 4.187 20 30 DIEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001474550305 1062247864 /nfs/dbraw/zinc/24/78/64/1062247864.db2.gz PXYBCMYEUZJBIM-HNNXBMFYSA-N 1 1 321.262 4.187 20 30 DIEDMO CC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617297 1062251184 /nfs/dbraw/zinc/25/11/84/1062251184.db2.gz BLYNBPSQKRAHHI-AWEZNQCLSA-N 1 1 311.347 4.059 20 30 DIEDMO CC[C@H]1CCCC[C@H]1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001474555640 1062258848 /nfs/dbraw/zinc/25/88/48/1062258848.db2.gz ZVNXZDDUDBGQDX-PMACEKPBSA-N 1 1 314.473 4.223 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cc2ccccc2o1 ZINC001459635628 1062269995 /nfs/dbraw/zinc/26/99/95/1062269995.db2.gz RFEMUBJAQVXCHV-UHFFFAOYSA-N 1 1 320.392 4.205 20 30 DIEDMO N#CCC1(C[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC001459669756 1062288047 /nfs/dbraw/zinc/28/80/47/1062288047.db2.gz JFARANBWPCEFOZ-HNNXBMFYSA-N 1 1 319.246 4.280 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001459696670 1062315199 /nfs/dbraw/zinc/31/51/99/1062315199.db2.gz UYMGFBLZVWYCKY-RTBURBONSA-N 1 1 314.473 4.201 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](CC(C)(C)c2ccc(Br)cc2)C1 ZINC001474602311 1062315511 /nfs/dbraw/zinc/31/55/11/1062315511.db2.gz OSDHMWDGTCNAOV-CQSZACIVSA-N 1 1 320.274 4.072 20 30 DIEDMO C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCCC1 ZINC001255136031 1062330608 /nfs/dbraw/zinc/33/06/08/1062330608.db2.gz LQILGALFCGTBDR-WKCHPHFGSA-N 1 1 322.496 4.108 20 30 DIEDMO CCCCCCCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC001459729412 1062340174 /nfs/dbraw/zinc/34/01/74/1062340174.db2.gz ZKBCRZSKSPASMX-SFHVURJKSA-N 1 1 303.446 4.119 20 30 DIEDMO CCCCCCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC001459729412 1062340196 /nfs/dbraw/zinc/34/01/96/1062340196.db2.gz ZKBCRZSKSPASMX-SFHVURJKSA-N 1 1 303.446 4.119 20 30 DIEDMO C=CC[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(C)(C)C ZINC001255149000 1062341563 /nfs/dbraw/zinc/34/15/63/1062341563.db2.gz FAKPMWIOOVQDBH-ACDBMABISA-N 1 1 312.501 4.469 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001474621894 1062343492 /nfs/dbraw/zinc/34/34/92/1062343492.db2.gz LXPJMXCURDBINS-KRWDZBQOSA-N 1 1 315.457 4.137 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001474621897 1062343648 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C=C(C)C[N@H+](CC)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257496934 1063311111 /nfs/dbraw/zinc/31/11/11/1063311111.db2.gz XDVBZDXDPQPROP-UHFFFAOYSA-N 1 1 321.505 4.377 20 30 DIEDMO CCCCCCCCCC[C@@H](C)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001257549860 1063328697 /nfs/dbraw/zinc/32/86/97/1063328697.db2.gz FSTQVFDWYDKOHT-OAHLLOKOSA-N 1 1 307.486 4.337 20 30 DIEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001257563503 1063334494 /nfs/dbraw/zinc/33/44/94/1063334494.db2.gz FYBDTMGPVPBZSZ-DZGCQCFKSA-N 1 1 321.262 4.006 20 30 DIEDMO C=CCOc1cccc(C[NH2+]Cc2cc(C(CC)CC)no2)c1 ZINC001461258165 1063368469 /nfs/dbraw/zinc/36/84/69/1063368469.db2.gz PRNRVNJESOFBGH-UHFFFAOYSA-N 1 1 314.429 4.433 20 30 DIEDMO C=CCCCC[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC001473104300 1063400640 /nfs/dbraw/zinc/40/06/40/1063400640.db2.gz IZXNZGXMZVKIFQ-GOSISDBHSA-N 1 1 303.446 4.033 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(OCc2ccccc2)CC1 ZINC001257834915 1063403140 /nfs/dbraw/zinc/40/31/40/1063403140.db2.gz XYKHNIMSCXTNHV-IOFNDDMZSA-N 1 1 324.468 4.281 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)c1F ZINC001473112688 1063411813 /nfs/dbraw/zinc/41/18/13/1063411813.db2.gz SGNJEQYWFKDTNE-LJQANCHMSA-N 1 1 308.400 4.295 20 30 DIEDMO C=CC[N@H+](CCCCC1CCOCC1)Cc1ccc(OC)cc1 ZINC001473115073 1063415776 /nfs/dbraw/zinc/41/57/76/1063415776.db2.gz MVADXKOIMLGKPR-UHFFFAOYSA-N 1 1 317.473 4.280 20 30 DIEDMO C#CC[N@H+](CCc1ccccc1CC)[C@H]1CCc2ccccc21 ZINC001473122251 1063424865 /nfs/dbraw/zinc/42/48/65/1063424865.db2.gz UWMRFKBESMDEEL-QFIPXVFZSA-N 1 1 303.449 4.414 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@](CF)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257890885 1063428286 /nfs/dbraw/zinc/42/82/86/1063428286.db2.gz BSAIVDNTKNZQIZ-IZGVIRRGSA-N 1 1 305.359 4.345 20 30 DIEDMO C=C1C[C@@H]2CC(n3cc(C(=O)C[NH3+])c4ccccc43)C[C@H](C1)C2 ZINC001257888506 1063428908 /nfs/dbraw/zinc/42/89/08/1063428908.db2.gz QKKWDVXFBUNEMZ-XYPWUTKMSA-N 1 1 308.425 4.090 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C)cc1C)Cc1ccc(C#N)cc1C ZINC001473126120 1063430209 /nfs/dbraw/zinc/43/02/09/1063430209.db2.gz DSVSLGACCFVTRK-UHFFFAOYSA-N 1 1 322.452 4.132 20 30 DIEDMO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC001473125527 1063430336 /nfs/dbraw/zinc/43/03/36/1063430336.db2.gz PSSDLUHBPVZPGM-UHFFFAOYSA-N 1 1 322.452 4.280 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCCC1(F)F ZINC001473131822 1063437111 /nfs/dbraw/zinc/43/71/11/1063437111.db2.gz NVHRVJNMRNJWOO-KRWDZBQOSA-N 1 1 304.384 4.372 20 30 DIEDMO C=CC[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(C#N)c1 ZINC001473131923 1063437911 /nfs/dbraw/zinc/43/79/11/1063437911.db2.gz QKGKFECVFXOJHG-UHFFFAOYSA-N 1 1 307.441 4.410 20 30 DIEDMO CC(C)(C)c1ccc2c(c1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001473136894 1063443367 /nfs/dbraw/zinc/44/33/67/1063443367.db2.gz LZKFDUSSFLPDRF-UHFFFAOYSA-N 1 1 318.464 4.457 20 30 DIEDMO CCC#C[C@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001473139264 1063446303 /nfs/dbraw/zinc/44/63/03/1063446303.db2.gz RKORPVLLCRZRCP-HNNXBMFYSA-N 1 1 314.404 4.147 20 30 DIEDMO N#CCC1(C[N@@H+](Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC001473155173 1063458372 /nfs/dbraw/zinc/45/83/72/1063458372.db2.gz QCJLJAXRQVTWQD-UHFFFAOYSA-N 1 1 304.384 4.403 20 30 DIEDMO N#CCC1(C[N@H+](Cc2c(F)cccc2F)C2CCCC2)CC1 ZINC001473155173 1063458399 /nfs/dbraw/zinc/45/83/99/1063458399.db2.gz QCJLJAXRQVTWQD-UHFFFAOYSA-N 1 1 304.384 4.403 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)C1CCC(CC(=O)OCC)CC1 ZINC001258038286 1063472583 /nfs/dbraw/zinc/47/25/83/1063472583.db2.gz MXZSHOPVWSSQDZ-UHFFFAOYSA-N 1 1 307.478 4.319 20 30 DIEDMO CCCCCCC[C@@H](C)N1CCC([NH3+])(c2cccnc2)CC1 ZINC001258041360 1063474967 /nfs/dbraw/zinc/47/49/67/1063474967.db2.gz RZAFGPSDJPOJCL-QGZVFWFLSA-N 1 1 303.494 4.080 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001258045284 1063477857 /nfs/dbraw/zinc/47/78/57/1063477857.db2.gz YUTFPDVLQADZCA-DLBZAZTESA-N 1 1 321.509 4.198 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001258045167 1063477945 /nfs/dbraw/zinc/47/79/45/1063477945.db2.gz XWCLLACGCBEFKQ-AEFFLSMTSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001258045094 1063478531 /nfs/dbraw/zinc/47/85/31/1063478531.db2.gz WJNYUNVHZGUJHQ-DLBZAZTESA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001258045287 1063478717 /nfs/dbraw/zinc/47/87/17/1063478717.db2.gz YUTFPDVLQADZCA-SJORKVTESA-N 1 1 321.509 4.198 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258049272 1063480909 /nfs/dbraw/zinc/48/09/09/1063480909.db2.gz CXKIMIAWMGIYDC-QGZVFWFLSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001258048363 1063481512 /nfs/dbraw/zinc/48/15/12/1063481512.db2.gz UDKXBVHVHPUOFP-LMMKCTJWSA-N 1 1 308.510 4.259 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC001473176368 1063481957 /nfs/dbraw/zinc/48/19/57/1063481957.db2.gz VPKYMUKIRJBUJK-RBUKOAKNSA-N 1 1 314.473 4.282 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001258049297 1063482550 /nfs/dbraw/zinc/48/25/50/1063482550.db2.gz DLYAJLKVXGPWHR-INIZCTEOSA-N 1 1 312.498 4.288 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001258048649 1063482651 /nfs/dbraw/zinc/48/26/51/1063482651.db2.gz WOPSZQQXEFKBTO-QGZVFWFLSA-N 1 1 321.509 4.374 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048241 1063482804 /nfs/dbraw/zinc/48/28/04/1063482804.db2.gz RVCYWYFITSURMV-AZUAARDMSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC001258047534 1063483031 /nfs/dbraw/zinc/48/30/31/1063483031.db2.gz LSMZPTQYFVRFFX-OXQOHEQNSA-N 1 1 314.473 4.331 20 30 DIEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001473188492 1063496047 /nfs/dbraw/zinc/49/60/47/1063496047.db2.gz AKRRBDLZOFJWHA-OALUTQOASA-N 1 1 307.453 4.042 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001473188494 1063496725 /nfs/dbraw/zinc/49/67/25/1063496725.db2.gz AKRRBDLZOFJWHA-RTBURBONSA-N 1 1 307.453 4.042 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001473188491 1063497676 /nfs/dbraw/zinc/49/76/76/1063497676.db2.gz AKRRBDLZOFJWHA-MOPGFXCFSA-N 1 1 307.453 4.042 20 30 DIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258089341 1063513131 /nfs/dbraw/zinc/51/31/31/1063513131.db2.gz UDRQESCGSODPNC-AZUAARDMSA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258091846 1063515868 /nfs/dbraw/zinc/51/58/68/1063515868.db2.gz BUXBCHFRJFSITH-HSALFYBXSA-N 1 1 321.505 4.195 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC=C(C)C)CCO2 ZINC001258095014 1063516499 /nfs/dbraw/zinc/51/64/99/1063516499.db2.gz WWBKKBMXVXXFAN-VAMGGRTRSA-N 1 1 321.505 4.195 20 30 DIEDMO CCCCCCCCC[C@H](C)N1CC[NH+](CCCOC)CC1 ZINC001258229112 1063568535 /nfs/dbraw/zinc/56/85/35/1063568535.db2.gz MBUFKXPPYIJDAC-IBGZPJMESA-N 1 1 312.542 4.170 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001258228119 1063568739 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CC1(C)C[C@H](Nc2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001461692509 1063659529 /nfs/dbraw/zinc/65/95/29/1063659529.db2.gz LKIQUZWCDDTZGB-IBGZPJMESA-N 1 1 323.415 4.162 20 30 DIEDMO CCOC(=O)CC[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001258493556 1063673386 /nfs/dbraw/zinc/67/33/86/1063673386.db2.gz BADSNWPKXRHYAR-MRXNPFEDSA-N 1 1 308.466 4.047 20 30 DIEDMO CCOC(=O)CC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001258493554 1063673735 /nfs/dbraw/zinc/67/37/35/1063673735.db2.gz BADSNWPKXRHYAR-INIZCTEOSA-N 1 1 308.466 4.047 20 30 DIEDMO N#CC1(C[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CCCC1 ZINC001461812791 1063731243 /nfs/dbraw/zinc/73/12/43/1063731243.db2.gz SECIBQVASZGEBS-UHFFFAOYSA-N 1 1 316.351 4.398 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCc2ccccc21 ZINC001461862332 1063757426 /nfs/dbraw/zinc/75/74/26/1063757426.db2.gz CEQXUDSDZJTHKU-HXUWFJFHSA-N 1 1 304.437 4.499 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)c(OC)c1 ZINC001461874021 1063763068 /nfs/dbraw/zinc/76/30/68/1063763068.db2.gz 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C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC001308136308 1065776539 /nfs/dbraw/zinc/77/65/39/1065776539.db2.gz KNEVZPKDQPQXMO-SFHVURJKSA-N 1 1 314.473 4.353 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001308142326 1065777346 /nfs/dbraw/zinc/77/73/46/1065777346.db2.gz USTLHAMTMXTBKD-LBPRGKRZSA-N 1 1 317.376 4.458 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC001308139568 1065778380 /nfs/dbraw/zinc/77/83/80/1065778380.db2.gz GZEPJSVEOWWGCG-TWOQFEAHSA-N 1 1 322.452 4.056 20 30 DIEDMO CC[NH+](CC)[C@H](CNCc1ccc(C#N)c(C)c1)c1ccccc1 ZINC001308181940 1065793656 /nfs/dbraw/zinc/79/36/56/1065793656.db2.gz DDKPXDSPVXMCFL-OAQYLSRUSA-N 1 1 321.468 4.039 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)C1 ZINC001308488692 1066022814 /nfs/dbraw/zinc/02/28/14/1066022814.db2.gz PTEGLQHGXRMVBM-ZSXPUABSSA-N 1 1 312.501 4.089 20 30 DIEDMO C=C1CCC(C[NH2+]CC(C)(C)CN(C)Cc2ccccc2)CC1 ZINC001308512901 1066039551 /nfs/dbraw/zinc/03/95/51/1066039551.db2.gz KXVDMVAMZSTSFP-UHFFFAOYSA-N 1 1 314.517 4.481 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(Oc3ccc(F)cc3)c2)CCC1 ZINC001308545528 1066060634 /nfs/dbraw/zinc/06/06/34/1066060634.db2.gz CRNMWJGQDAEQLT-UHFFFAOYSA-N 1 1 310.372 4.401 20 30 DIEDMO COc1cc(C)ccc1Oc1ccccc1C[NH2+]CC1(C#N)CC1 ZINC001308545676 1066060886 /nfs/dbraw/zinc/06/08/86/1066060886.db2.gz FMDZGEAFGAYFFG-UHFFFAOYSA-N 1 1 322.408 4.189 20 30 DIEDMO CC(C)[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(F)c1C#N ZINC001308567125 1066075465 /nfs/dbraw/zinc/07/54/65/1066075465.db2.gz BORJQJNFVSXYGL-FQEVSTJZSA-N 1 1 308.400 4.453 20 30 DIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(F)c1C#N ZINC001308567125 1066075478 /nfs/dbraw/zinc/07/54/78/1066075478.db2.gz BORJQJNFVSXYGL-FQEVSTJZSA-N 1 1 308.400 4.453 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001308596225 1066107463 /nfs/dbraw/zinc/10/74/63/1066107463.db2.gz KDDWPIKGPZRYCZ-ZIAGYGMSSA-N 1 1 323.889 4.068 20 30 DIEDMO CCCCCCCCC[N@H+](C)Cc1nc(Br)c[nH]1 ZINC001308616045 1066120686 /nfs/dbraw/zinc/12/06/86/1066120686.db2.gz PDROORNMNSZRFN-UHFFFAOYSA-N 1 1 316.287 4.355 20 30 DIEDMO CCCCCCCCC[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC001308616045 1066120691 /nfs/dbraw/zinc/12/06/91/1066120691.db2.gz PDROORNMNSZRFN-UHFFFAOYSA-N 1 1 316.287 4.355 20 30 DIEDMO CC[C@@H]1CCC[C@@H](C[N@@H+](CCOC)Cc2ccc(C#N)cc2)C1 ZINC001308615760 1066120697 /nfs/dbraw/zinc/12/06/97/1066120697.db2.gz QZMYANCEYYMJHV-YLJYHZDGSA-N 1 1 314.473 4.223 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1NCC ZINC001308630948 1066127597 /nfs/dbraw/zinc/12/75/97/1066127597.db2.gz HMWRNGCSKSDFKG-UHFFFAOYSA-N 1 1 305.425 4.178 20 30 DIEDMO C#CCCCCCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001308644882 1066135198 /nfs/dbraw/zinc/13/51/98/1066135198.db2.gz XDNNPBBXFIGANI-CTNGQTDRSA-N 1 1 312.501 4.070 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(Br)nc1 ZINC001308656652 1066141107 /nfs/dbraw/zinc/14/11/07/1066141107.db2.gz MNRPWVSGZDDCID-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(Br)nc1 ZINC001308656652 1066141111 /nfs/dbraw/zinc/14/11/11/1066141111.db2.gz MNRPWVSGZDDCID-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC001308687764 1066181439 /nfs/dbraw/zinc/18/14/39/1066181439.db2.gz YWJWQMIHOLVDPE-IIBYNOLFSA-N 1 1 305.421 4.260 20 30 DIEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2C[C@@]2(C)Br)CCCC1(C)C ZINC001308724046 1066201559 /nfs/dbraw/zinc/20/15/59/1066201559.db2.gz KVBMDFZTODXCJI-KCQAQPDRSA-N 1 1 300.284 4.227 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC001308726871 1066202240 /nfs/dbraw/zinc/20/22/40/1066202240.db2.gz NGVILULHKDVWKQ-CYBMUJFWSA-N 1 1 310.235 4.004 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(Br)c1O ZINC001308726871 1066202246 /nfs/dbraw/zinc/20/22/46/1066202246.db2.gz NGVILULHKDVWKQ-CYBMUJFWSA-N 1 1 310.235 4.004 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1N1CCCCC1 ZINC001308754767 1066227565 /nfs/dbraw/zinc/22/75/65/1066227565.db2.gz KMDWCEKVWPCJOX-UHFFFAOYSA-N 1 1 318.464 4.312 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1N ZINC001308754870 1066228125 /nfs/dbraw/zinc/22/81/25/1066228125.db2.gz NGMHLVJUEQPNMC-UHFFFAOYSA-N 1 1 319.235 4.211 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1N ZINC001308754870 1066228138 /nfs/dbraw/zinc/22/81/38/1066228138.db2.gz NGMHLVJUEQPNMC-UHFFFAOYSA-N 1 1 319.235 4.211 20 30 DIEDMO C=CCC[C@@H](CCC)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC001308781528 1066254921 /nfs/dbraw/zinc/25/49/21/1066254921.db2.gz DLNYNOAESMRORZ-GOSISDBHSA-N 1 1 316.493 4.473 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)ccc1C#N ZINC001308825275 1066300822 /nfs/dbraw/zinc/30/08/22/1066300822.db2.gz XRWWTQGCIAJPLY-LJQANCHMSA-N 1 1 320.436 4.335 20 30 DIEDMO C#CC[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2OC(F)F)C1 ZINC001308881629 1066359247 /nfs/dbraw/zinc/35/92/47/1066359247.db2.gz XNRQINYEHPGXBZ-ATGUSINASA-N 1 1 305.368 4.037 20 30 DIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(F)cc(Cl)c1 ZINC001308908743 1066385258 /nfs/dbraw/zinc/38/52/58/1066385258.db2.gz KWFLLXJCZSJTGN-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CCSc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001308908794 1066385981 /nfs/dbraw/zinc/38/59/81/1066385981.db2.gz LVZHIQCDSBRLDN-UHFFFAOYSA-N 1 1 310.466 4.345 20 30 DIEDMO C=CCC[C@H](CC)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001308918440 1066396200 /nfs/dbraw/zinc/39/62/00/1066396200.db2.gz LXFLHSYWPJTLOZ-PXNSSMCTSA-N 1 1 313.489 4.128 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@@H](C)C(C)(C)C ZINC001308931397 1066404960 /nfs/dbraw/zinc/40/49/60/1066404960.db2.gz RMXGZJBAKVJRRO-CQSZACIVSA-N 1 1 307.865 4.466 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cc(Br)cc(F)c1[O-] ZINC001308968964 1066424671 /nfs/dbraw/zinc/42/46/71/1066424671.db2.gz LJGRVZODWSUKRX-UHFFFAOYSA-N 1 1 316.214 4.082 20 30 DIEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072776351 191226914 /nfs/dbraw/zinc/22/69/14/191226914.db2.gz IMVMIFBSYJFPHF-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273526567 130131865 /nfs/dbraw/zinc/13/18/65/130131865.db2.gz QRBRMTAVFPYTGU-PMACEKPBSA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284965890 131127549 /nfs/dbraw/zinc/12/75/49/131127549.db2.gz XMXBTMPXBNJDFD-BYCMXARLSA-N 1 1 309.240 4.135 20 30 DIEDMO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 ZINC000285733809 131197628 /nfs/dbraw/zinc/19/76/28/131197628.db2.gz QWOTYSSPCICRAV-BDJLRTHQSA-N 1 1 301.340 4.033 20 30 DIEDMO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccc(C#N)cc1 ZINC000584211864 331868561 /nfs/dbraw/zinc/86/85/61/331868561.db2.gz XFGWVRIQVVZHNS-SFHVURJKSA-N 1 1 316.408 4.051 20 30 DIEDMO CCc1ccc[nH+]c1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000558202646 331883531 /nfs/dbraw/zinc/88/35/31/331883531.db2.gz IINKNALEHBHFMY-UHFFFAOYSA-N 1 1 305.425 4.460 20 30 DIEDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000520042286 332030979 /nfs/dbraw/zinc/03/09/79/332030979.db2.gz VUDBSBVNUPMNLE-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(C#N)ccc1F ZINC000520042286 332030981 /nfs/dbraw/zinc/03/09/81/332030981.db2.gz VUDBSBVNUPMNLE-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000409447944 332033489 /nfs/dbraw/zinc/03/34/89/332033489.db2.gz HPOHXKDMQUOHHL-IBGZPJMESA-N 1 1 314.473 4.078 20 30 DIEDMO CC(C)[N@@H+](CCO[C@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000521195515 332055123 /nfs/dbraw/zinc/05/51/23/332055123.db2.gz DHSWQWQEHIMJDL-XLIONFOSSA-N 1 1 314.473 4.364 20 30 DIEDMO Cc1ccc(C[N@H+](CCOc2ccc(C#N)cc2)C(C)C)s1 ZINC000518597055 332090890 /nfs/dbraw/zinc/09/08/90/332090890.db2.gz APNMJBNMKVUMQF-UHFFFAOYSA-N 1 1 314.454 4.218 20 30 DIEDMO C=CC[C@@H](CC)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000410136862 332091359 /nfs/dbraw/zinc/09/13/59/332091359.db2.gz XISQNNZZWHMQIB-GOSISDBHSA-N 1 1 302.462 4.003 20 30 DIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000410335289 332114010 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C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000016379682 332131940 /nfs/dbraw/zinc/13/19/40/332131940.db2.gz ZSTQYHAQXMMRAN-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093100929 332134187 /nfs/dbraw/zinc/13/41/87/332134187.db2.gz MIKUFUCLHSPOBR-UHFFFAOYSA-N 1 1 324.428 4.031 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000093100929 332134189 /nfs/dbraw/zinc/13/41/89/332134189.db2.gz MIKUFUCLHSPOBR-UHFFFAOYSA-N 1 1 324.428 4.031 20 30 DIEDMO CC(C)(CCC#N)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000093342200 332137610 /nfs/dbraw/zinc/13/76/10/332137610.db2.gz GSJPCADTLNRPMN-UHFFFAOYSA-N 1 1 314.473 4.245 20 30 DIEDMO CCCC[C@H](C)[N@@H+](CCCC)CC(=O)Nc1sccc1C#N ZINC000559387409 332143221 /nfs/dbraw/zinc/14/32/21/332143221.db2.gz PMGSDYFNTZLFJQ-AWEZNQCLSA-N 1 1 321.490 4.239 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000554216295 332187133 /nfs/dbraw/zinc/18/71/33/332187133.db2.gz XLIDGKCKYKRJEJ-INIZCTEOSA-N 1 1 319.246 4.085 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000554216295 332187135 /nfs/dbraw/zinc/18/71/35/332187135.db2.gz XLIDGKCKYKRJEJ-INIZCTEOSA-N 1 1 319.246 4.085 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000181250130 332188204 /nfs/dbraw/zinc/18/82/04/332188204.db2.gz AODYTZCAVAUTOC-QGZVFWFLSA-N 1 1 322.452 4.112 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000181250130 332188205 /nfs/dbraw/zinc/18/82/05/332188205.db2.gz AODYTZCAVAUTOC-QGZVFWFLSA-N 1 1 322.452 4.112 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000181291574 332189862 /nfs/dbraw/zinc/18/98/62/332189862.db2.gz YOYASDPEGZHYBU-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000181291574 332189864 /nfs/dbraw/zinc/18/98/64/332189864.db2.gz YOYASDPEGZHYBU-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333901 332191989 /nfs/dbraw/zinc/19/19/89/332191989.db2.gz CDXPAIOKKRUDPR-SFHVURJKSA-N 1 1 319.408 4.334 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333901 332191990 /nfs/dbraw/zinc/19/19/90/332191990.db2.gz CDXPAIOKKRUDPR-SFHVURJKSA-N 1 1 319.408 4.334 20 30 DIEDMO C[C@H]([NH2+]Cc1ccno1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000363710708 332226530 /nfs/dbraw/zinc/22/65/30/332226530.db2.gz IBQKPAKNNSNLNY-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO N#CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791895 332283856 /nfs/dbraw/zinc/28/38/56/332283856.db2.gz UPPKPNDAPAGILZ-QGZVFWFLSA-N 1 1 312.392 4.047 20 30 DIEDMO N#CCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000109791895 332283858 /nfs/dbraw/zinc/28/38/58/332283858.db2.gz UPPKPNDAPAGILZ-QGZVFWFLSA-N 1 1 312.392 4.047 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)c3F)CC2)c1 ZINC000560072321 332308883 /nfs/dbraw/zinc/30/88/83/332308883.db2.gz UFMUIVKVPLHIII-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO C=CCOc1cccc(C[NH2+][C@](C)(CC)c2nccs2)c1 ZINC000152668741 332313179 /nfs/dbraw/zinc/31/31/79/332313179.db2.gz NSXMWONDDONFFL-QGZVFWFLSA-N 1 1 302.443 4.123 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCC(C)(C)C#N)CCC2 ZINC000152605758 332313887 /nfs/dbraw/zinc/31/38/87/332313887.db2.gz WRKOKUDMWOAQHR-AWEZNQCLSA-N 1 1 305.491 4.345 20 30 DIEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000560559462 332360125 /nfs/dbraw/zinc/36/01/25/332360125.db2.gz NEZMJHONLDMHGJ-CXAGYDPISA-N 1 1 314.479 4.298 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)cs2)[C@H]1c1ccccc1 ZINC000560559462 332360127 /nfs/dbraw/zinc/36/01/27/332360127.db2.gz NEZMJHONLDMHGJ-CXAGYDPISA-N 1 1 314.479 4.298 20 30 DIEDMO CC(C)(CCC#N)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000120558226 332387379 /nfs/dbraw/zinc/38/73/79/332387379.db2.gz XGMRONHIAWHKRH-HNNXBMFYSA-N 1 1 306.475 4.059 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000428847040 332437799 /nfs/dbraw/zinc/43/77/99/332437799.db2.gz FEGCHLRMNGYTHP-HNNXBMFYSA-N 1 1 310.319 4.491 20 30 DIEDMO COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000169287276 332628219 /nfs/dbraw/zinc/62/82/19/332628219.db2.gz LBTMYYNOZJPYKB-GFCCVEGCSA-N 1 1 300.789 4.071 20 30 DIEDMO Cc1nc(C(C)(C)[NH2+]CC#Cc2ccc(Cl)cc2)sc1C ZINC000177357305 332984725 /nfs/dbraw/zinc/98/47/25/332984725.db2.gz RAQRLMCHEGIDFF-UHFFFAOYSA-N 1 1 318.873 4.290 20 30 DIEDMO CC[N@@H+](Cc1cccc(NC(C)=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000170643440 333037812 /nfs/dbraw/zinc/03/78/12/333037812.db2.gz GMEBRRSGDJIWRZ-OAHLLOKOSA-N 1 1 321.424 4.100 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000580303193 333081491 /nfs/dbraw/zinc/08/14/91/333081491.db2.gz JRNGCNRBTJMJQW-INIZCTEOSA-N 1 1 323.371 4.151 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000174810500 333091048 /nfs/dbraw/zinc/09/10/48/333091048.db2.gz TVCIOIDTYGQDBA-UHFFFAOYSA-N 1 1 315.280 4.272 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](C)CO1 ZINC000174876372 333092085 /nfs/dbraw/zinc/09/20/85/333092085.db2.gz ZWQFCUQFGDSBDG-AEFFLSMTSA-N 1 1 300.446 4.087 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000174870825 333092132 /nfs/dbraw/zinc/09/21/32/333092132.db2.gz VNRAGUMGWWQIIX-INIZCTEOSA-N 1 1 316.420 4.050 20 30 DIEDMO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cs1 ZINC000186398494 333219286 /nfs/dbraw/zinc/21/92/86/333219286.db2.gz VGKWJAINUHQGGO-ZDUSSCGKSA-N 1 1 315.442 4.020 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OCC)c1 ZINC000497196666 333220276 /nfs/dbraw/zinc/22/02/76/333220276.db2.gz BGVUIFRHPLMJFQ-UHFFFAOYSA-N 1 1 317.351 4.034 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000497599596 333267771 /nfs/dbraw/zinc/26/77/71/333267771.db2.gz HLHQLWFEGLIPLF-IBGZPJMESA-N 1 1 306.409 4.083 20 30 DIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000364328574 333288307 /nfs/dbraw/zinc/28/83/07/333288307.db2.gz DBNITWHXTGHGRD-RTBURBONSA-N 1 1 309.457 4.118 20 30 DIEDMO CC1CC[NH+](C[C@H]2CCCN(CCCCC(C)(C)C#N)C2)CC1 ZINC000364357263 333298148 /nfs/dbraw/zinc/29/81/48/333298148.db2.gz UVCYFZJIJALSHH-IBGZPJMESA-N 1 1 319.537 4.150 20 30 DIEDMO CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000188190958 333357832 /nfs/dbraw/zinc/35/78/32/333357832.db2.gz GJIHYHGBPCMGFS-KRWDZBQOSA-N 1 1 313.489 4.063 20 30 DIEDMO C=CCCC1(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC1 ZINC000337235307 333444367 /nfs/dbraw/zinc/44/43/67/333444367.db2.gz AOIHQAONFWZFDA-UHFFFAOYSA-N 1 1 306.837 4.087 20 30 DIEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccccc2)cn2ccccc12 ZINC000343383322 335160823 /nfs/dbraw/zinc/16/08/23/335160823.db2.gz TWYPFLMHOPGRHW-LJQANCHMSA-N 1 1 301.393 4.148 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000414568966 334023272 /nfs/dbraw/zinc/02/32/72/334023272.db2.gz ZBLMVSXCWNAWCA-GOSISDBHSA-N 1 1 312.457 4.170 20 30 DIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476937 334048046 /nfs/dbraw/zinc/04/80/46/334048046.db2.gz KLLLGCYSOAPEBP-ROUUACIJSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584371 334053365 /nfs/dbraw/zinc/05/33/65/334053365.db2.gz ROMGSQRSRQCTFT-ZDUSSCGKSA-N 1 1 300.352 4.072 20 30 DIEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC(C)(C)C#N ZINC000277751365 334090548 /nfs/dbraw/zinc/09/05/48/334090548.db2.gz PPGZRBDXPULLLI-AEFFLSMTSA-N 1 1 300.446 4.168 20 30 DIEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000277861447 334091586 /nfs/dbraw/zinc/09/15/86/334091586.db2.gz YCOGIXDTNTVIOI-SFHVURJKSA-N 1 1 324.472 4.430 20 30 DIEDMO CCCCCCCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278300903 334094612 /nfs/dbraw/zinc/09/46/12/334094612.db2.gz JXPUUIIZCSAPLE-UHFFFAOYSA-N 1 1 318.461 4.120 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278556525 334098098 /nfs/dbraw/zinc/09/80/98/334098098.db2.gz BEIDYLWNVPDJQD-ZDUSSCGKSA-N 1 1 310.363 4.262 20 30 DIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000281143686 334123374 /nfs/dbraw/zinc/12/33/74/334123374.db2.gz AVLBFFPNGHSMTL-UHFFFAOYSA-N 1 1 318.436 4.137 20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281916896 334129476 /nfs/dbraw/zinc/12/94/76/334129476.db2.gz GYFUPTRNJABPBH-AWEZNQCLSA-N 1 1 322.399 4.058 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1c(F)cncc1F ZINC000285817488 334150314 /nfs/dbraw/zinc/15/03/14/334150314.db2.gz VIVZHGLWLDOPEQ-LBPRGKRZSA-N 1 1 315.367 4.012 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289439472 334165377 /nfs/dbraw/zinc/16/53/77/334165377.db2.gz DOHWRAXXMIKUND-MOPGFXCFSA-N 1 1 324.468 4.021 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1F ZINC000439453628 334179473 /nfs/dbraw/zinc/17/94/73/334179473.db2.gz QBJLUFKNTMXZNE-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO N#CCCCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292758554 334191912 /nfs/dbraw/zinc/19/19/12/334191912.db2.gz SEOXEJBRUKXETN-HNNXBMFYSA-N 1 1 321.262 4.007 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000298360800 334247986 /nfs/dbraw/zinc/24/79/86/334247986.db2.gz FZCHTENOUHBGIF-IRXDYDNUSA-N 1 1 324.472 4.489 20 30 DIEDMO C#CCCCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000119629678 334284876 /nfs/dbraw/zinc/28/48/76/334284876.db2.gz XSGSUWBSGPZEMV-UHFFFAOYSA-N 1 1 323.440 4.187 20 30 DIEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121248707 334343793 /nfs/dbraw/zinc/34/37/93/334343793.db2.gz ZEKDMGLSKLDSTF-SECBINFHSA-N 1 1 312.200 4.222 20 30 DIEDMO C=CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121248707 334343794 /nfs/dbraw/zinc/34/37/94/334343794.db2.gz ZEKDMGLSKLDSTF-SECBINFHSA-N 1 1 312.200 4.222 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303961999 334350413 /nfs/dbraw/zinc/35/04/13/334350413.db2.gz ZYWAUSYCEPUNDD-OALUTQOASA-N 1 1 312.457 4.118 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000346162553 335383863 /nfs/dbraw/zinc/38/38/63/335383863.db2.gz ZAPVRNWMARMHFQ-UHFFFAOYSA-N 1 1 316.474 4.086 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1cccc(C#N)c1 ZINC000346956940 335453361 /nfs/dbraw/zinc/45/33/61/335453361.db2.gz HJNAZXDFVPVGRF-CVEARBPZSA-N 1 1 316.408 4.156 20 30 DIEDMO N#CC1(C[NH+]2CCC(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000347476984 335502570 /nfs/dbraw/zinc/50/25/70/335502570.db2.gz KCGFCYVWJNGWSX-UHFFFAOYSA-N 1 1 308.347 4.189 20 30 DIEDMO Cc1csc(C2([NH2+][C@H](C)C(=O)NC3CCCCC3)CCC2)n1 ZINC000329321545 335963958 /nfs/dbraw/zinc/96/39/58/335963958.db2.gz JFBUHIGECFMUOJ-CYBMUJFWSA-N 1 1 321.490 4.098 20 30 DIEDMO CC[N@@H+](Cc1cnc2cccc(C)n12)[C@@H](C)c1ccc(C#N)cc1 ZINC000351606838 336049412 /nfs/dbraw/zinc/04/94/12/336049412.db2.gz GOOVBFWYRTVRNN-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CCCC3(CC3)C2)ccc1OC ZINC000351928960 336180291 /nfs/dbraw/zinc/18/02/91/336180291.db2.gz IGHHHMBLWUCSKG-UHFFFAOYSA-N 1 1 301.430 4.026 20 30 DIEDMO CC[NH+](CC)[C@@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413780 336213733 /nfs/dbraw/zinc/21/37/33/336213733.db2.gz WMZJLUZVYYAMAA-UWJYYQICSA-N 1 1 321.468 4.292 20 30 DIEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)C#N ZINC000103469589 336241038 /nfs/dbraw/zinc/24/10/38/336241038.db2.gz MITHOFWTPWXPJD-INIZCTEOSA-N 1 1 303.409 4.207 20 30 DIEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)C#N ZINC000103469589 336241039 /nfs/dbraw/zinc/24/10/39/336241039.db2.gz MITHOFWTPWXPJD-INIZCTEOSA-N 1 1 303.409 4.207 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000532470541 336249524 /nfs/dbraw/zinc/24/95/24/336249524.db2.gz FROWKROVZZAIOC-UHFFFAOYSA-N 1 1 318.486 4.024 20 30 DIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000532553503 336255382 /nfs/dbraw/zinc/25/53/82/336255382.db2.gz GEQKZAVILHHFRF-DLBZAZTESA-N 1 1 322.452 4.058 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(OCC2CC2)c1 ZINC000532568790 336255887 /nfs/dbraw/zinc/25/58/87/336255887.db2.gz WCTLGNRQVVVZKT-UHFFFAOYSA-N 1 1 324.399 4.084 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000532583263 336256338 /nfs/dbraw/zinc/25/63/38/336256338.db2.gz YJEOJMQFPKCKHD-AWEZNQCLSA-N 1 1 308.853 4.345 20 30 DIEDMO CN(C)c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000532590382 336256686 /nfs/dbraw/zinc/25/66/86/336256686.db2.gz WETVWRSXSNDXOH-TZIWHRDSSA-N 1 1 319.452 4.024 20 30 DIEDMO N#Cc1csc(C[NH2+][C@@H](CC2CCCC2)c2ccccc2)n1 ZINC000352829441 336267532 /nfs/dbraw/zinc/26/75/32/336267532.db2.gz BFUMVMRJEMQKFM-KRWDZBQOSA-N 1 1 311.454 4.426 20 30 DIEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1C#N ZINC000532745197 336269155 /nfs/dbraw/zinc/26/91/55/336269155.db2.gz IHAIMCZWTPYQGK-QGZVFWFLSA-N 1 1 310.397 4.277 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941917 336275254 /nfs/dbraw/zinc/27/52/54/336275254.db2.gz YNMMWJITYOVWHN-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000526941917 336275255 /nfs/dbraw/zinc/27/52/55/336275255.db2.gz YNMMWJITYOVWHN-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)n1 ZINC000352855651 336280898 /nfs/dbraw/zinc/28/08/98/336280898.db2.gz UNEKHDAGYRXBOJ-MRXNPFEDSA-N 1 1 317.845 4.299 20 30 DIEDMO CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000352861294 336281994 /nfs/dbraw/zinc/28/19/94/336281994.db2.gz GOWQQZJYQQJPCB-MRXNPFEDSA-N 1 1 311.454 4.208 20 30 DIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440155 336306882 /nfs/dbraw/zinc/30/68/82/336306882.db2.gz UADIMPCRMVWGID-MAUKXSAKSA-N 1 1 311.454 4.115 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000301991136 336341836 /nfs/dbraw/zinc/34/18/36/336341836.db2.gz XYKPHBRVCBDFMZ-MRXNPFEDSA-N 1 1 322.456 4.030 20 30 DIEDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1)CC(C)(C)C#N ZINC000563904256 336371301 /nfs/dbraw/zinc/37/13/01/336371301.db2.gz GULGUZYXLSMRGR-UHFFFAOYSA-N 1 1 308.425 4.247 20 30 DIEDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)CC(C)(C)C#N ZINC000563904256 336371302 /nfs/dbraw/zinc/37/13/02/336371302.db2.gz GULGUZYXLSMRGR-UHFFFAOYSA-N 1 1 308.425 4.247 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129703 336375030 /nfs/dbraw/zinc/37/50/30/336375030.db2.gz AHFAWTDPXGLNBC-MRXNPFEDSA-N 1 1 316.395 4.473 20 30 DIEDMO C=CCCC1(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000356264308 336543261 /nfs/dbraw/zinc/54/32/61/336543261.db2.gz CQEXPPWTOADOHV-OAHLLOKOSA-N 1 1 323.440 4.104 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000375896939 337022529 /nfs/dbraw/zinc/02/25/29/337022529.db2.gz BPBKOHBEOIFXSO-CABCVRRESA-N 1 1 316.408 4.360 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376506139 337035371 /nfs/dbraw/zinc/03/53/71/337035371.db2.gz JPDVSWLXEWWTIA-HNNXBMFYSA-N 1 1 316.449 4.194 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000376506139 337035372 /nfs/dbraw/zinc/03/53/72/337035372.db2.gz JPDVSWLXEWWTIA-HNNXBMFYSA-N 1 1 316.449 4.194 20 30 DIEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537120 337036132 /nfs/dbraw/zinc/03/61/32/337036132.db2.gz AWFWEJHSPWIISV-HZPDHXFCSA-N 1 1 319.449 4.195 20 30 DIEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376537120 337036133 /nfs/dbraw/zinc/03/61/33/337036133.db2.gz AWFWEJHSPWIISV-HZPDHXFCSA-N 1 1 319.449 4.195 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000582693517 337123338 /nfs/dbraw/zinc/12/33/38/337123338.db2.gz SMLXIJNNIKPCTA-KRWDZBQOSA-N 1 1 300.427 4.211 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000177859788 337160774 /nfs/dbraw/zinc/16/07/74/337160774.db2.gz GUDGTZJXHXSFPN-MRXNPFEDSA-N 1 1 316.376 4.163 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000177859775 337160805 /nfs/dbraw/zinc/16/08/05/337160805.db2.gz GUDGTZJXHXSFPN-INIZCTEOSA-N 1 1 316.376 4.163 20 30 DIEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCC(C)(C)C#N)C3)nc2c1 ZINC000181145204 337182050 /nfs/dbraw/zinc/18/20/50/337182050.db2.gz DAALUJWNAWVWAK-INIZCTEOSA-N 1 1 324.472 4.381 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCCC(C)(C)C#N)C3)[nH]c2c1 ZINC000181145204 337182051 /nfs/dbraw/zinc/18/20/51/337182051.db2.gz DAALUJWNAWVWAK-INIZCTEOSA-N 1 1 324.472 4.381 20 30 DIEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCCC(C)(C)C#N)C3)[nH]c2c1 ZINC000181145204 337182052 /nfs/dbraw/zinc/18/20/52/337182052.db2.gz DAALUJWNAWVWAK-INIZCTEOSA-N 1 1 324.472 4.381 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000582991694 337223112 /nfs/dbraw/zinc/22/31/12/337223112.db2.gz AVKRUKCGTKEOEL-MJGOQNOKSA-N 1 1 319.493 4.047 20 30 DIEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577383 337267139 /nfs/dbraw/zinc/26/71/39/337267139.db2.gz JONQMFPRDXEGAA-LPHOPBHVSA-N 1 1 322.456 4.084 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189940539 337283920 /nfs/dbraw/zinc/28/39/20/337283920.db2.gz TTXLROBJNWRLAQ-SFHVURJKSA-N 1 1 314.454 4.353 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1 ZINC000189940539 337283921 /nfs/dbraw/zinc/28/39/21/337283921.db2.gz TTXLROBJNWRLAQ-SFHVURJKSA-N 1 1 314.454 4.353 20 30 DIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCCC[C@@H]1C ZINC000120157509 337395490 /nfs/dbraw/zinc/39/54/90/337395490.db2.gz JVBGABZRKMIBJW-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421338215 337527248 /nfs/dbraw/zinc/52/72/48/337527248.db2.gz DRAFWKLBPFCBHV-UHFFFAOYSA-N 1 1 322.456 4.305 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000269431471 337637338 /nfs/dbraw/zinc/63/73/38/337637338.db2.gz PPZRMAHCPZJMKE-OAHLLOKOSA-N 1 1 301.459 4.459 20 30 DIEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1F ZINC000090117413 337878138 /nfs/dbraw/zinc/87/81/38/337878138.db2.gz YZSKJDGYJOXBTK-KRWDZBQOSA-N 1 1 304.315 4.216 20 30 DIEDMO COc1cccc(F)c1[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000537154902 337903085 /nfs/dbraw/zinc/90/30/85/337903085.db2.gz LULQFYAJCTWYLV-ZDUSSCGKSA-N 1 1 317.791 4.190 20 30 DIEDMO COc1cc(C[NH2+]Cc2cc(Cl)ccc2Cl)ccc1C#N ZINC000516352949 338010518 /nfs/dbraw/zinc/01/05/18/338010518.db2.gz HNPXILLSSXFPTC-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1cccc(C#N)c1F ZINC000516329127 338010914 /nfs/dbraw/zinc/01/09/14/338010914.db2.gz MIPFIEQZQAFXSX-KRWDZBQOSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000516329127 338010915 /nfs/dbraw/zinc/01/09/15/338010915.db2.gz MIPFIEQZQAFXSX-KRWDZBQOSA-N 1 1 312.388 4.289 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccc2[nH]ccc21 ZINC000426375673 338029485 /nfs/dbraw/zinc/02/94/85/338029485.db2.gz GGCHCMHJOJVCES-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000426501608 338033698 /nfs/dbraw/zinc/03/36/98/338033698.db2.gz TZVIMAKJRZNPJE-INIZCTEOSA-N 1 1 320.845 4.093 20 30 DIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000426501608 338033699 /nfs/dbraw/zinc/03/36/99/338033699.db2.gz TZVIMAKJRZNPJE-INIZCTEOSA-N 1 1 320.845 4.093 20 30 DIEDMO CCc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000428445957 338051768 /nfs/dbraw/zinc/05/17/68/338051768.db2.gz HVJSPDWHPLXEME-UHFFFAOYSA-N 1 1 311.429 4.075 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000428447549 338052071 /nfs/dbraw/zinc/05/20/71/338052071.db2.gz OQYBEVFGMDBBRH-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccc(F)cc1 ZINC000428447549 338052072 /nfs/dbraw/zinc/05/20/72/338052072.db2.gz OQYBEVFGMDBBRH-CYBMUJFWSA-N 1 1 300.352 4.420 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428460094 338053178 /nfs/dbraw/zinc/05/31/78/338053178.db2.gz GAPYMZINDHIDOB-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428460094 338053179 /nfs/dbraw/zinc/05/31/79/338053179.db2.gz GAPYMZINDHIDOB-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000429291623 338076757 /nfs/dbraw/zinc/07/67/57/338076757.db2.gz GZZGMRZMCDTUBT-OAHLLOKOSA-N 1 1 302.487 4.063 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430096196 338096301 /nfs/dbraw/zinc/09/63/01/338096301.db2.gz DOPNUFBNFHRVGR-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000430096196 338096302 /nfs/dbraw/zinc/09/63/02/338096302.db2.gz DOPNUFBNFHRVGR-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO Cc1cc([C@H]2CCC[N@@H+]2CCCC#N)ccc1Br ZINC000430218912 338101897 /nfs/dbraw/zinc/10/18/97/338101897.db2.gz MZLUDFPEMABTDN-OAHLLOKOSA-N 1 1 307.235 4.198 20 30 DIEDMO Cc1cc([C@H]2CCC[N@H+]2CCCC#N)ccc1Br ZINC000430218912 338101898 /nfs/dbraw/zinc/10/18/98/338101898.db2.gz MZLUDFPEMABTDN-OAHLLOKOSA-N 1 1 307.235 4.198 20 30 DIEDMO CCCc1[nH+]ccn1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000432227388 338149103 /nfs/dbraw/zinc/14/91/03/338149103.db2.gz WIXDOIFROMQAAQ-UHFFFAOYSA-N 1 1 301.393 4.423 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cccc(C#N)c1 ZINC000432515905 338158112 /nfs/dbraw/zinc/15/81/12/338158112.db2.gz AKVPIRLWRNFMRY-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO Cc1cccc2c1C[N@@H+](Cc1cccc(OCCCC#N)c1)CC2 ZINC000433046236 338178191 /nfs/dbraw/zinc/17/81/91/338178191.db2.gz TZECTLRPGRFVBG-UHFFFAOYSA-N 1 1 320.436 4.236 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1OC ZINC000434991060 338229263 /nfs/dbraw/zinc/22/92/63/338229263.db2.gz KLOWIRAZQBOKFY-GOSISDBHSA-N 1 1 309.409 4.207 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000434991265 338229289 /nfs/dbraw/zinc/22/92/89/338229289.db2.gz LWOXLCZSUNPSSB-FQEVSTJZSA-N 1 1 306.409 4.316 20 30 DIEDMO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437423590 338309691 /nfs/dbraw/zinc/30/96/91/338309691.db2.gz GLWMNVVPSUQGJQ-UHFFFAOYSA-N 1 1 320.339 4.163 20 30 DIEDMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1OC(F)F ZINC000437423590 338309692 /nfs/dbraw/zinc/30/96/92/338309692.db2.gz GLWMNVVPSUQGJQ-UHFFFAOYSA-N 1 1 320.339 4.163 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)cc1Cl ZINC000439431018 338369279 /nfs/dbraw/zinc/36/92/79/338369279.db2.gz OMQDGZLPHRGRIQ-UHFFFAOYSA-N 1 1 300.789 4.035 20 30 DIEDMO N#CCSCCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440331632 338385742 /nfs/dbraw/zinc/38/57/42/338385742.db2.gz OFNYGEYNUZJGNZ-IBGZPJMESA-N 1 1 314.498 4.003 20 30 DIEDMO N#CC1(C[NH2+][C@@H](COCc2ccccc2)c2ccccc2)CCC1 ZINC000450677940 338698219 /nfs/dbraw/zinc/69/82/19/338698219.db2.gz GQRDWPFAFJTMBE-FQEVSTJZSA-N 1 1 320.436 4.228 20 30 DIEDMO N#CCCCC[N@@H+]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459584446 339037248 /nfs/dbraw/zinc/03/72/48/339037248.db2.gz AXLOQBSVXBAEEO-INIZCTEOSA-N 1 1 316.836 4.437 20 30 DIEDMO N#CCCCCN1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459584446 339037249 /nfs/dbraw/zinc/03/72/49/339037249.db2.gz AXLOQBSVXBAEEO-INIZCTEOSA-N 1 1 316.836 4.437 20 30 DIEDMO N#CCCCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459584446 339037251 /nfs/dbraw/zinc/03/72/51/339037251.db2.gz AXLOQBSVXBAEEO-INIZCTEOSA-N 1 1 316.836 4.437 20 30 DIEDMO N#CCCCN1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459596010 339038001 /nfs/dbraw/zinc/03/80/01/339038001.db2.gz SHSSIGALLDRGRB-HNNXBMFYSA-N 1 1 302.809 4.047 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663981 339041555 /nfs/dbraw/zinc/04/15/55/339041555.db2.gz PEWLSMUNXQXQGQ-OAHLLOKOSA-N 1 1 319.411 4.414 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673364 339042247 /nfs/dbraw/zinc/04/22/47/339042247.db2.gz YLFKCPISANKXKG-CABCVRRESA-N 1 1 319.411 4.412 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463441776 339117928 /nfs/dbraw/zinc/11/79/28/339117928.db2.gz SLHLMLHHZJNNPY-AZUAARDMSA-N 1 1 301.474 4.048 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729230 339150194 /nfs/dbraw/zinc/15/01/94/339150194.db2.gz ZXWWGNHTZWWUAK-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729230 339150195 /nfs/dbraw/zinc/15/01/95/339150195.db2.gz ZXWWGNHTZWWUAK-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000466663403 339212292 /nfs/dbraw/zinc/21/22/92/339212292.db2.gz FGGCMDLCWWDERV-SFHVURJKSA-N 1 1 322.537 4.195 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](CCCSCC#N)CC1CCC1 ZINC000466720108 339214212 /nfs/dbraw/zinc/21/42/12/339214212.db2.gz ZGKIHPYYJLPPRX-MRXNPFEDSA-N 1 1 302.487 4.497 20 30 DIEDMO Cc1cccc([C@H]2CCCC[N@H+]2CCCSCC#N)c1C ZINC000466731703 339214733 /nfs/dbraw/zinc/21/47/33/339214733.db2.gz RULFIGSVLSIXMY-GOSISDBHSA-N 1 1 302.487 4.477 20 30 DIEDMO C[N@H+](CCCSCC#N)Cc1c(Cl)cccc1Cl ZINC000466744762 339215429 /nfs/dbraw/zinc/21/54/29/339215429.db2.gz VVMSBIPYYLXNNK-UHFFFAOYSA-N 1 1 303.258 4.072 20 30 DIEDMO C[N@@H+](CCCSCC#N)Cc1c(Cl)cccc1Cl ZINC000466744762 339215430 /nfs/dbraw/zinc/21/54/30/339215430.db2.gz VVMSBIPYYLXNNK-UHFFFAOYSA-N 1 1 303.258 4.072 20 30 DIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2CCCSCC#N)o1 ZINC000466745111 339215554 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CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000468284055 339258907 /nfs/dbraw/zinc/25/89/07/339258907.db2.gz BSQCQLCIGSOETL-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO Cc1cc(Cl)ccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000468398686 339261916 /nfs/dbraw/zinc/26/19/16/339261916.db2.gz YLWZYTBQOSSEOJ-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1cc(Cl)ccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000468398686 339261917 /nfs/dbraw/zinc/26/19/17/339261917.db2.gz YLWZYTBQOSSEOJ-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)s1 ZINC000468756489 339269965 /nfs/dbraw/zinc/26/99/65/339269965.db2.gz ACMOLVBXMXZBTH-MRXNPFEDSA-N 1 1 300.402 4.404 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)s1 ZINC000468756489 339269966 /nfs/dbraw/zinc/26/99/66/339269966.db2.gz ACMOLVBXMXZBTH-MRXNPFEDSA-N 1 1 300.402 4.404 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000468893778 339274015 /nfs/dbraw/zinc/27/40/15/339274015.db2.gz HXVFHSJQSJBPIX-FQEVSTJZSA-N 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CCO[C@H](C)c1nc(C[N@@H+](C)CCCC(C)(C)C#N)cs1 ZINC000174877714 340398259 /nfs/dbraw/zinc/39/82/59/340398259.db2.gz PEQDVCQAVTUFES-CYBMUJFWSA-N 1 1 309.479 4.002 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000516949778 340459929 /nfs/dbraw/zinc/45/99/29/340459929.db2.gz MUAFJQSGVNAFAT-QGZVFWFLSA-N 1 1 321.449 4.371 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000187371192 340519446 /nfs/dbraw/zinc/51/94/46/340519446.db2.gz MWPYHYPHHHJJDA-KRWDZBQOSA-N 1 1 318.323 4.280 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(OC)c(O)c1)c1ccc(F)c(F)c1 ZINC000187371323 340519455 /nfs/dbraw/zinc/51/94/55/340519455.db2.gz ZJZMKMFFUGPSQX-SFHVURJKSA-N 1 1 319.351 4.086 20 30 DIEDMO N#CC1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000123681237 340793560 /nfs/dbraw/zinc/79/35/60/340793560.db2.gz ZJYBYCQOHCCLIV-UHFFFAOYSA-N 1 1 323.223 4.005 20 30 DIEDMO COc1ccc(F)cc1[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000538166503 340812016 /nfs/dbraw/zinc/81/20/16/340812016.db2.gz AFRRHRYKJOINPR-ZDUSSCGKSA-N 1 1 317.791 4.190 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2csc(-c3ccc(F)cc3)n2)c1 ZINC000127320135 340849182 /nfs/dbraw/zinc/84/91/82/340849182.db2.gz PRTXYBGJOGNCAO-UHFFFAOYSA-N 1 1 323.396 4.111 20 30 DIEDMO COc1cccc(C=C2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000538803934 340853678 /nfs/dbraw/zinc/85/36/78/340853678.db2.gz HWMPQQQXQOVFPL-UHFFFAOYSA-N 1 1 324.449 4.308 20 30 DIEDMO N#CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000541570838 340975168 /nfs/dbraw/zinc/97/51/68/340975168.db2.gz ZPRWOUDMPOATPO-QGZVFWFLSA-N 1 1 302.780 4.462 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211673 341000454 /nfs/dbraw/zinc/00/04/54/341000454.db2.gz KNWQJSZIXBYPHY-ZDUSSCGKSA-N 1 1 300.352 4.224 20 30 DIEDMO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Cl ZINC000542279351 341003336 /nfs/dbraw/zinc/00/33/36/341003336.db2.gz FCZDQJBCUJJSLJ-UHFFFAOYSA-N 1 1 302.780 4.177 20 30 DIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(F)cc1Cl ZINC000542279351 341003337 /nfs/dbraw/zinc/00/33/37/341003337.db2.gz FCZDQJBCUJJSLJ-UHFFFAOYSA-N 1 1 302.780 4.177 20 30 DIEDMO C=C(C)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000542518172 341011810 /nfs/dbraw/zinc/01/18/10/341011810.db2.gz OTSOLDGTPGQVAE-KRWDZBQOSA-N 1 1 308.416 4.046 20 30 DIEDMO CCn1c2ccccc2nc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000130383099 341020520 /nfs/dbraw/zinc/02/05/20/341020520.db2.gz SKZUPMIHFJAPRP-QGZVFWFLSA-N 1 1 318.424 4.191 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccccc2C#N)c1 ZINC000543175858 341035197 /nfs/dbraw/zinc/03/51/97/341035197.db2.gz JYQGWJJMUPJFRP-QRWLVFNGSA-N 1 1 306.409 4.150 20 30 DIEDMO CC#CC[NH2+][C@H](C)c1nc(-c2ccc(Cl)cc2)c(C)s1 ZINC000543504983 341047764 /nfs/dbraw/zinc/04/77/64/341047764.db2.gz FLKKSSKNYNSWJF-LLVKDONJSA-N 1 1 304.846 4.446 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000130907519 341053686 /nfs/dbraw/zinc/05/36/86/341053686.db2.gz VMNLOVHMHXDLOJ-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1OC ZINC000131092916 341059438 /nfs/dbraw/zinc/05/94/38/341059438.db2.gz JDSARILSQOIXCS-CQSZACIVSA-N 1 1 301.386 4.046 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915510 341063349 /nfs/dbraw/zinc/06/33/49/341063349.db2.gz AJTQAWMZSRHYFV-UONOGXRCSA-N 1 1 315.383 4.284 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)ccc2F)c1 ZINC000544117844 341070866 /nfs/dbraw/zinc/07/08/66/341070866.db2.gz PTAVNGUCFBTVIZ-XOBRGWDASA-N 1 1 324.399 4.289 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1N(C)C[C@@H](C)CC ZINC000545164922 341110991 /nfs/dbraw/zinc/11/09/91/341110991.db2.gz KEMICWAHERAKGW-WMLDXEAASA-N 1 1 305.441 4.090 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000545869958 341143526 /nfs/dbraw/zinc/14/35/26/341143526.db2.gz IBMMWTOTAOWKRG-IBGZPJMESA-N 1 1 308.425 4.356 20 30 DIEDMO CCC[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000132936286 341150057 /nfs/dbraw/zinc/15/00/57/341150057.db2.gz UGYCSVZZHJSAMO-UHFFFAOYSA-N 1 1 323.371 4.251 20 30 DIEDMO COc1ccc([C@H]2CCCCC[N@H+]2CCCSCC#N)cc1 ZINC000074981067 341158695 /nfs/dbraw/zinc/15/86/95/341158695.db2.gz GVOPDHSONVOFPJ-GOSISDBHSA-N 1 1 318.486 4.259 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000074989665 341159182 /nfs/dbraw/zinc/15/91/82/341159182.db2.gz IEUHBXPVTLXJAU-ROUUACIJSA-N 1 1 302.487 4.291 20 30 DIEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000134592477 341219254 /nfs/dbraw/zinc/21/92/54/341219254.db2.gz WNWLZLYLHOVSSW-MRXNPFEDSA-N 1 1 302.487 4.205 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000135117166 341231179 /nfs/dbraw/zinc/23/11/79/341231179.db2.gz MEQCZBDSKWPHSJ-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000135117166 341231180 /nfs/dbraw/zinc/23/11/80/341231180.db2.gz MEQCZBDSKWPHSJ-FQEVSTJZSA-N 1 1 320.436 4.061 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000548787014 341275642 /nfs/dbraw/zinc/27/56/42/341275642.db2.gz UUCRHACMXUFORU-OAHLLOKOSA-N 1 1 323.371 4.151 20 30 DIEDMO C=CC1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000548918567 341280941 /nfs/dbraw/zinc/28/09/41/341280941.db2.gz FABKUOYUPFJABG-LBPRGKRZSA-N 1 1 317.433 4.303 20 30 DIEDMO C=CCC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000549065427 341285153 /nfs/dbraw/zinc/28/51/53/341285153.db2.gz XEZNXVLTPDZSSV-UHFFFAOYSA-N 1 1 324.262 4.006 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549077876 341285512 /nfs/dbraw/zinc/28/55/12/341285512.db2.gz HGLXLKDFDMVZES-AUUYWEPGSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549077876 341285513 /nfs/dbraw/zinc/28/55/13/341285513.db2.gz HGLXLKDFDMVZES-AUUYWEPGSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000549173293 341287989 /nfs/dbraw/zinc/28/79/89/341287989.db2.gz MSIVVZDLYPUKNQ-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO Cc1cc([C@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000245799784 341315147 /nfs/dbraw/zinc/31/51/47/341315147.db2.gz PDWJLESKURGDLP-FOIQADDNSA-N 1 1 324.399 4.140 20 30 DIEDMO Cc1cc([C@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)ccc1F ZINC000245799784 341315148 /nfs/dbraw/zinc/31/51/48/341315148.db2.gz PDWJLESKURGDLP-FOIQADDNSA-N 1 1 324.399 4.140 20 30 DIEDMO CCCCCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000552085277 341368382 /nfs/dbraw/zinc/36/83/82/341368382.db2.gz XRBRHFGYXXXUTC-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CCCCCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000552085277 341368383 /nfs/dbraw/zinc/36/83/83/341368383.db2.gz XRBRHFGYXXXUTC-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCC3)cc1 ZINC000552087452 341368726 /nfs/dbraw/zinc/36/87/26/341368726.db2.gz IKAFBZZSUIWWGT-CYBMUJFWSA-N 1 1 314.454 4.047 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccco1 ZINC000552223312 341379289 /nfs/dbraw/zinc/37/92/89/341379289.db2.gz NMMCAHPEBFEVKJ-OAHLLOKOSA-N 1 1 315.804 4.378 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cn2cc(Cl)ccc2n1)c1ccco1 ZINC000552223311 341379347 /nfs/dbraw/zinc/37/93/47/341379347.db2.gz NMMCAHPEBFEVKJ-HNNXBMFYSA-N 1 1 315.804 4.378 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000249280852 341395839 /nfs/dbraw/zinc/39/58/39/341395839.db2.gz NJNFEJIEJVFKJX-GLJUWKHASA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000249280852 341395840 /nfs/dbraw/zinc/39/58/40/341395840.db2.gz NJNFEJIEJVFKJX-GLJUWKHASA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249444323 341397621 /nfs/dbraw/zinc/39/76/21/341397621.db2.gz KRHHOWQLAJQAFN-QINHECLXSA-N 1 1 306.409 4.081 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249444323 341397622 /nfs/dbraw/zinc/39/76/22/341397622.db2.gz KRHHOWQLAJQAFN-QINHECLXSA-N 1 1 306.409 4.081 20 30 DIEDMO Cc1ccc(C#N)c(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)n1 ZINC000552909951 341408414 /nfs/dbraw/zinc/40/84/14/341408414.db2.gz XPZBPQQQARONKR-UHFFFAOYSA-N 1 1 317.396 4.081 20 30 DIEDMO Cc1ccc(-c2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)cc1 ZINC000564508238 341502820 /nfs/dbraw/zinc/50/28/20/341502820.db2.gz BEXQPWVWCNYORJ-GOSISDBHSA-N 1 1 303.409 4.195 20 30 DIEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546143 522008421 /nfs/dbraw/zinc/00/84/21/522008421.db2.gz RNHLXMAPBJJPOZ-WMLDXEAASA-N 1 1 324.428 4.009 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430737 525626537 /nfs/dbraw/zinc/62/65/37/525626537.db2.gz RNSDFNXGZRKEAO-UTKZUKDTSA-N 1 1 319.452 4.046 20 30 DIEDMO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O ZINC000286342975 535892669 /nfs/dbraw/zinc/89/26/69/535892669.db2.gz YYBLENCDLKGWOO-KRWDZBQOSA-N 1 1 310.372 4.133 20 30 DIEDMO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595614928 1050656877 /nfs/dbraw/zinc/65/68/77/1050656877.db2.gz JRISQGIDXNYKLW-STQMWFEESA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595614928 1050656888 /nfs/dbraw/zinc/65/68/88/1050656888.db2.gz JRISQGIDXNYKLW-STQMWFEESA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@@H](CCc1ccc(Br)cc1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001256229087 1062752336 /nfs/dbraw/zinc/75/23/36/1062752336.db2.gz LNAIZTPBTILANV-XJKSGUPXSA-N 1 1 321.262 4.006 20 30 DIEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000728197319 1035725348 /nfs/dbraw/zinc/72/53/48/1035725348.db2.gz VBNONNQLGHOHDA-LJQANCHMSA-N 1 1 315.457 4.284 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1c1ccccc1 ZINC000610216061 1035749393 /nfs/dbraw/zinc/74/93/93/1035749393.db2.gz HSNPSYBRRSJMBE-BEFAXECRSA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@@H]1c1ccccc1 ZINC000610216141 1035752884 /nfs/dbraw/zinc/75/28/84/1035752884.db2.gz OOFOINNVWMBWLE-KXBFYZLASA-N 1 1 308.400 4.323 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2scnc2C)cc1Cl ZINC000179425485 1035874868 /nfs/dbraw/zinc/87/48/68/1035874868.db2.gz BYDUYUOVLZITPC-UHFFFAOYSA-N 1 1 322.861 4.302 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2scnc2C)cc1Cl ZINC000179425485 1035874880 /nfs/dbraw/zinc/87/48/80/1035874880.db2.gz BYDUYUOVLZITPC-UHFFFAOYSA-N 1 1 322.861 4.302 20 30 DIEDMO N#Cc1ccc(CCC[N@@H+]2CCc3ccc(Cl)cc3C2)cc1 ZINC001208860059 1035890440 /nfs/dbraw/zinc/89/04/40/1035890440.db2.gz GYCAVERFWJOVBT-UHFFFAOYSA-N 1 1 310.828 4.203 20 30 DIEDMO COc1ccccc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000179588806 1035901134 /nfs/dbraw/zinc/90/11/34/1035901134.db2.gz LQFYYFUFBFEELV-UHFFFAOYSA-N 1 1 324.424 4.010 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@]12CCCN(C(=O)OC(C)(C)C)CC2 ZINC001209157466 1036037902 /nfs/dbraw/zinc/03/79/02/1036037902.db2.gz WINOWOVBNOVVCV-IBGZPJMESA-N 1 1 322.493 4.208 20 30 DIEDMO C=CC[NH+]1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000180488723 1036064088 /nfs/dbraw/zinc/06/40/88/1036064088.db2.gz SGMXWYBCNGPMIF-UHFFFAOYSA-N 1 1 306.453 4.016 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC001625833540 1036106554 /nfs/dbraw/zinc/10/65/54/1036106554.db2.gz NZOPMWRGEOLDJQ-CRYBKOLWSA-N 1 1 320.521 4.426 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@]1(C)CC1(Cl)Cl ZINC001167116944 1036110823 /nfs/dbraw/zinc/11/08/23/1036110823.db2.gz YWHYFHJHJBSIAR-OAHLLOKOSA-N 1 1 314.256 4.267 20 30 DIEDMO C=CCCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209437950 1036179554 /nfs/dbraw/zinc/17/95/54/1036179554.db2.gz ABACMLICMALZSY-HUUCEWRRSA-N 1 1 307.400 4.148 20 30 DIEDMO C=CCCCCCCCN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209442362 1036187357 /nfs/dbraw/zinc/18/73/57/1036187357.db2.gz QPCATZXNEUKVMN-UHFFFAOYSA-N 1 1 310.501 4.411 20 30 DIEDMO C=CCCCCCCC[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001209442362 1036187367 /nfs/dbraw/zinc/18/73/67/1036187367.db2.gz QPCATZXNEUKVMN-UHFFFAOYSA-N 1 1 310.501 4.411 20 30 DIEDMO C=CCCCCCCCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001209442358 1036187994 /nfs/dbraw/zinc/18/79/94/1036187994.db2.gz GQULMEMUNIPNEL-OAHLLOKOSA-N 1 1 307.400 4.150 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155268510 1036223333 /nfs/dbraw/zinc/22/33/33/1036223333.db2.gz WVNIJUZKGVGNSC-INIZCTEOSA-N 1 1 306.837 4.043 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155268510 1036223347 /nfs/dbraw/zinc/22/33/47/1036223347.db2.gz WVNIJUZKGVGNSC-INIZCTEOSA-N 1 1 306.837 4.043 20 30 DIEDMO C=C(Cl)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC001167192921 1036256830 /nfs/dbraw/zinc/25/68/30/1036256830.db2.gz PMEOGMWHNGZULT-UHFFFAOYSA-N 1 1 302.643 4.412 20 30 DIEDMO C=C(Cl)C[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC001167192921 1036256849 /nfs/dbraw/zinc/25/68/49/1036256849.db2.gz PMEOGMWHNGZULT-UHFFFAOYSA-N 1 1 302.643 4.412 20 30 DIEDMO CCC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001167218873 1036283708 /nfs/dbraw/zinc/28/37/08/1036283708.db2.gz UXISYFOLADONTI-NHCUHLMSSA-N 1 1 322.452 4.455 20 30 DIEDMO CCC[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H](CC)c1ccccc1 ZINC001167219017 1036284660 /nfs/dbraw/zinc/28/46/60/1036284660.db2.gz UXISYFOLADONTI-SFTDATJTSA-N 1 1 322.452 4.455 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](OC)c1ccc(F)cc1 ZINC001167273652 1036354336 /nfs/dbraw/zinc/35/43/36/1036354336.db2.gz OBBXSTLINBVIHA-FQEVSTJZSA-N 1 1 313.416 4.244 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001167276555 1036358853 /nfs/dbraw/zinc/35/88/53/1036358853.db2.gz PEUCVULHASLDAS-INIZCTEOSA-N 1 1 310.482 4.064 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC001167315581 1036672291 /nfs/dbraw/zinc/67/22/91/1036672291.db2.gz XICAEZPIQIWODF-UHFFFAOYSA-N 1 1 310.526 4.317 20 30 DIEDMO COCC#CC[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001167318390 1036678677 /nfs/dbraw/zinc/67/86/77/1036678677.db2.gz KGLGPQKXMDUILI-UHFFFAOYSA-N 1 1 307.437 4.234 20 30 DIEDMO Cc1cccc(-c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)c1 ZINC000580005747 1036713228 /nfs/dbraw/zinc/71/32/28/1036713228.db2.gz 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ZINC001167433965 1037293301 /nfs/dbraw/zinc/29/33/01/1037293301.db2.gz QBUNVPVNJAILAS-YJBOKZPZSA-N 1 1 311.375 4.194 20 30 DIEDMO C[N@@H+](CCOc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000064951993 1037307607 /nfs/dbraw/zinc/30/76/07/1037307607.db2.gz SXVUQBRIDCIMIN-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO Cc1ccccc1C[N@@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000581073628 1037424407 /nfs/dbraw/zinc/42/44/07/1037424407.db2.gz IIJQRHLWUJJSEE-UHFFFAOYSA-N 1 1 307.441 4.332 20 30 DIEDMO C=CCCCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC001167461876 1037636971 /nfs/dbraw/zinc/63/69/71/1037636971.db2.gz UPJGIKBUSGQQFJ-HXUWFJFHSA-N 1 1 301.474 4.375 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC001167464033 1037650286 /nfs/dbraw/zinc/65/02/86/1037650286.db2.gz DSKXJEASPNCFMD-VAMGGRTRSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCC2(CCC2)O1 ZINC001167464033 1037650299 /nfs/dbraw/zinc/65/02/99/1037650299.db2.gz DSKXJEASPNCFMD-VAMGGRTRSA-N 1 1 324.468 4.250 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC001167464356 1037653634 /nfs/dbraw/zinc/65/36/34/1037653634.db2.gz JYZAJEZTIJXWAC-APWZRJJASA-N 1 1 320.436 4.253 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1C ZINC001167464687 1037664280 /nfs/dbraw/zinc/66/42/80/1037664280.db2.gz PAZMCMPKVOUZCY-FQEVSTJZSA-N 1 1 320.436 4.391 20 30 DIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000477287362 1037885151 /nfs/dbraw/zinc/88/51/51/1037885151.db2.gz ZPIUKQKQGCXYGW-INIZCTEOSA-N 1 1 324.424 4.116 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001167478586 1037914589 /nfs/dbraw/zinc/91/45/89/1037914589.db2.gz UCXMWKXDJLHLDV-SFHVURJKSA-N 1 1 320.436 4.173 20 30 DIEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001167478585 1037916084 /nfs/dbraw/zinc/91/60/84/1037916084.db2.gz UCXMWKXDJLHLDV-GOSISDBHSA-N 1 1 320.436 4.173 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000078573935 1037931632 /nfs/dbraw/zinc/93/16/32/1037931632.db2.gz OCTSUEIFRKLQBL-INIZCTEOSA-N 1 1 323.440 4.002 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001625871312 1037934951 /nfs/dbraw/zinc/93/49/51/1037934951.db2.gz KGKYUVUQXUDVRU-YPKPFQOOSA-N 1 1 308.510 4.236 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000285462493 1037953612 /nfs/dbraw/zinc/95/36/12/1037953612.db2.gz APSGZSHNIFZHOL-PKOBYXMFSA-N 1 1 312.457 4.170 20 30 DIEDMO C=C(C)C[N@H+](Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000684411369 1037959236 /nfs/dbraw/zinc/95/92/36/1037959236.db2.gz KPLYOUKWETZLLS-UHFFFAOYSA-N 1 1 309.388 4.052 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cn2cccc(F)c2n1)Cc1ccccc1 ZINC000684411369 1037959251 /nfs/dbraw/zinc/95/92/51/1037959251.db2.gz KPLYOUKWETZLLS-UHFFFAOYSA-N 1 1 309.388 4.052 20 30 DIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602438063 1038006610 /nfs/dbraw/zinc/00/66/10/1038006610.db2.gz GWMGAGHRYHQIFI-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)[C@H](C)c1cnc(C)nc1C ZINC000602442951 1038009241 /nfs/dbraw/zinc/00/92/41/1038009241.db2.gz CYYDKXDDXFTMGB-HUUCEWRRSA-N 1 1 308.429 4.109 20 30 DIEDMO CC[N@@H+](Cc1ccc2nccnc2c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444469 1038009775 /nfs/dbraw/zinc/00/97/75/1038009775.db2.gz NJKQUEGZPMLXBE-OAHLLOKOSA-N 1 1 316.408 4.085 20 30 DIEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000602456149 1038010713 /nfs/dbraw/zinc/01/07/13/1038010713.db2.gz VFJPRNPIHWBRDN-INIZCTEOSA-N 1 1 311.429 4.146 20 30 DIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602486190 1038016780 /nfs/dbraw/zinc/01/67/80/1038016780.db2.gz CGLLIXDLUVQGFP-INIZCTEOSA-N 1 1 310.445 4.407 20 30 DIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1cccc(C#N)n1 ZINC000602497469 1038022683 /nfs/dbraw/zinc/02/26/83/1038022683.db2.gz VBAAVBKLPYUQMJ-MRXNPFEDSA-N 1 1 320.440 4.253 20 30 DIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1cccc(C#N)n1 ZINC000602497469 1038022704 /nfs/dbraw/zinc/02/27/04/1038022704.db2.gz VBAAVBKLPYUQMJ-MRXNPFEDSA-N 1 1 320.440 4.253 20 30 DIEDMO CC(C)(C)[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602567125 1038040928 /nfs/dbraw/zinc/04/09/28/1038040928.db2.gz IACJGMKAMREXNG-QGZVFWFLSA-N 1 1 315.367 4.108 20 30 DIEDMO CC(C)(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602567123 1038042311 /nfs/dbraw/zinc/04/23/11/1038042311.db2.gz IACJGMKAMREXNG-KRWDZBQOSA-N 1 1 315.367 4.108 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cs1 ZINC000891577245 1038047957 /nfs/dbraw/zinc/04/79/57/1038047957.db2.gz AMXKLRMHTCVEFZ-AWEZNQCLSA-N 1 1 323.421 4.141 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1CCOC2 ZINC000602766766 1038088786 /nfs/dbraw/zinc/08/87/86/1038088786.db2.gz BPHWNIBNTTUXKZ-UHFFFAOYSA-N 1 1 320.436 4.042 20 30 DIEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000602817028 1038093965 /nfs/dbraw/zinc/09/39/65/1038093965.db2.gz WERQXHNGQRCOLS-SFHVURJKSA-N 1 1 320.440 4.298 20 30 DIEDMO N#CCC1(C[N@H+]2CCCC[C@H]2c2nc(-c3ccccc3)c[nH]2)CC1 ZINC000602817028 1038093982 /nfs/dbraw/zinc/09/39/82/1038093982.db2.gz WERQXHNGQRCOLS-SFHVURJKSA-N 1 1 320.440 4.298 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001168413548 1038126155 /nfs/dbraw/zinc/12/61/55/1038126155.db2.gz KOJMOQHSSIIXBX-NRFANRHFSA-N 1 1 312.501 4.479 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603015047 1038127231 /nfs/dbraw/zinc/12/72/31/1038127231.db2.gz CLDZICZSISAGQB-SFHVURJKSA-N 1 1 314.379 4.427 20 30 DIEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593781 1038129111 /nfs/dbraw/zinc/12/91/11/1038129111.db2.gz WAEZEEJZZPKIAC-NVXWUHKLSA-N 1 1 318.461 4.060 20 30 DIEDMO CCCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(C)o1 ZINC000598590587 1038129504 /nfs/dbraw/zinc/12/95/04/1038129504.db2.gz PGJPKWWKCSLZRF-HOTGVXAUSA-N 1 1 306.450 4.052 20 30 DIEDMO CCCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccccc1 ZINC000598587972 1038130080 /nfs/dbraw/zinc/13/00/80/1038130080.db2.gz YFEZAHHMGSBEQD-AEFFLSMTSA-N 1 1 302.462 4.150 20 30 DIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000598587976 1038130307 /nfs/dbraw/zinc/13/03/07/1038130307.db2.gz YGNGBLKGMQHJTQ-FXAWDEMLSA-N 1 1 322.452 4.277 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598598395 1038133073 /nfs/dbraw/zinc/13/30/73/1038133073.db2.gz FBOJXGZYINKQAT-OALUTQOASA-N 1 1 314.473 4.248 20 30 DIEDMO CC[N@H+](Cc1nc2cccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000341592284 1038159658 /nfs/dbraw/zinc/15/96/58/1038159658.db2.gz YAPQERBATZFOKJ-ZDUSSCGKSA-N 1 1 322.437 4.146 20 30 DIEDMO CC[N@@H+](Cc1nc2cccnc2s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000341592284 1038159662 /nfs/dbraw/zinc/15/96/62/1038159662.db2.gz YAPQERBATZFOKJ-ZDUSSCGKSA-N 1 1 322.437 4.146 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1F ZINC000599021061 1038214872 /nfs/dbraw/zinc/21/48/72/1038214872.db2.gz ZOBBIVIEIMXDGJ-UHFFFAOYSA-N 1 1 316.326 4.145 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2scnc21 ZINC000599050130 1038223102 /nfs/dbraw/zinc/22/31/02/1038223102.db2.gz WIDUJXMAIUJSHB-HOTGVXAUSA-N 1 1 309.438 4.059 20 30 DIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C1(c3c(F)cccc3F)CCC1)CC2 ZINC000599093761 1038239868 /nfs/dbraw/zinc/23/98/68/1038239868.db2.gz RMRPKAYNZLLXAG-GOSISDBHSA-N 1 1 324.374 4.493 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)c1 ZINC000593697879 1038252206 /nfs/dbraw/zinc/25/22/06/1038252206.db2.gz OTOXJDFNWSAVNG-FHWLQOOXSA-N 1 1 324.449 4.114 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599299664 1038266273 /nfs/dbraw/zinc/26/62/73/1038266273.db2.gz MIXKGGJPWZZCKV-AWEZNQCLSA-N 1 1 313.470 4.387 20 30 DIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C)c(C#N)c1)CCC2 ZINC000599327815 1038268159 /nfs/dbraw/zinc/26/81/59/1038268159.db2.gz LTZAYEOFPSSLOE-KRWDZBQOSA-N 1 1 311.454 4.141 20 30 DIEDMO C=C1CC[NH+](Cc2sccc2NC(=O)OC(C)(C)C)CC1 ZINC000891944088 1038300165 /nfs/dbraw/zinc/30/01/65/1038300165.db2.gz XOQAIDQAFYALST-UHFFFAOYSA-N 1 1 308.447 4.247 20 30 DIEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599538869 1038311141 /nfs/dbraw/zinc/31/11/41/1038311141.db2.gz VFLSKDDKYSDTOU-UHFFFAOYSA-N 1 1 324.428 4.009 20 30 DIEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(C(F)F)c1)C2 ZINC000599678204 1038332288 /nfs/dbraw/zinc/33/22/88/1038332288.db2.gz PJPXPDWDQGTVMU-UHFFFAOYSA-N 1 1 312.363 4.249 20 30 DIEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(C(F)F)c1)C2 ZINC000599678204 1038332304 /nfs/dbraw/zinc/33/23/04/1038332304.db2.gz PJPXPDWDQGTVMU-UHFFFAOYSA-N 1 1 312.363 4.249 20 30 DIEDMO COc1ccc([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cc1F ZINC000599679328 1038336032 /nfs/dbraw/zinc/33/60/32/1038336032.db2.gz MYDZEDTZRRRQQJ-MRXNPFEDSA-N 1 1 318.436 4.344 20 30 DIEDMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991382 1038419733 /nfs/dbraw/zinc/41/97/33/1038419733.db2.gz BOCCPUQWVSMRQO-HXUWFJFHSA-N 1 1 321.424 4.079 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)cc1C#N ZINC000610991798 1038419806 /nfs/dbraw/zinc/41/98/06/1038419806.db2.gz KGKXUUNJRVXHNA-UHFFFAOYSA-N 1 1 310.397 4.105 20 30 DIEDMO COCc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610993668 1038421948 /nfs/dbraw/zinc/42/19/48/1038421948.db2.gz AEYZJVQLKRNEOY-SFTDATJTSA-N 1 1 320.436 4.105 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994451 1038425200 /nfs/dbraw/zinc/42/52/00/1038425200.db2.gz ZNQXXGNXBWIZJY-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994451 1038425214 /nfs/dbraw/zinc/42/52/14/1038425214.db2.gz ZNQXXGNXBWIZJY-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993983 1038425705 /nfs/dbraw/zinc/42/57/05/1038425705.db2.gz PNVPAIPWKXNTKL-ZIAGYGMSSA-N 1 1 313.832 4.231 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccnc(C#N)c1)CC1CCC1 ZINC000610993197 1038426030 /nfs/dbraw/zinc/42/60/30/1038426030.db2.gz GSVCYDWIRYYBBG-INIZCTEOSA-N 1 1 305.425 4.317 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187702330 1038457782 /nfs/dbraw/zinc/45/77/82/1038457782.db2.gz XMZJCXKIAFTHLC-PXNSSMCTSA-N 1 1 320.436 4.158 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000605150333 1038493767 /nfs/dbraw/zinc/49/37/67/1038493767.db2.gz JEHDZJBIQAEDCT-GOSISDBHSA-N 1 1 317.473 4.457 20 30 DIEDMO CCCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000157612097 1038541418 /nfs/dbraw/zinc/54/14/18/1038541418.db2.gz NYKZPXMAXFYRAH-GOSISDBHSA-N 1 1 313.445 4.448 20 30 DIEDMO CCCCCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000157612097 1038541429 /nfs/dbraw/zinc/54/14/29/1038541429.db2.gz NYKZPXMAXFYRAH-GOSISDBHSA-N 1 1 313.445 4.448 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001167516323 1038543177 /nfs/dbraw/zinc/54/31/77/1038543177.db2.gz DRGFFEPEDCLOQO-NRFANRHFSA-N 1 1 309.428 4.439 20 30 DIEDMO CC1(C)CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001167529817 1038551080 /nfs/dbraw/zinc/55/10/80/1038551080.db2.gz SBFLSPBWBZZOIZ-UHFFFAOYSA-N 1 1 321.262 4.333 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC001167533611 1038553157 /nfs/dbraw/zinc/55/31/57/1038553157.db2.gz HWIWACOGTHZQEZ-LIRRHRJNSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000119861031 1038587744 /nfs/dbraw/zinc/58/77/44/1038587744.db2.gz OKPVRKIAODSGFF-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000119861031 1038587749 /nfs/dbraw/zinc/58/77/49/1038587749.db2.gz OKPVRKIAODSGFF-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(Cl)cc1Cl ZINC000068751524 1038589126 /nfs/dbraw/zinc/58/91/26/1038589126.db2.gz BNPGLZXBVIYTQE-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CCOc1cccc(Cl)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000593970988 1038597558 /nfs/dbraw/zinc/59/75/58/1038597558.db2.gz 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ZINC000606897570 1038638481 /nfs/dbraw/zinc/63/84/81/1038638481.db2.gz ZLZMLKSEVWKTJT-CYBMUJFWSA-N 1 1 301.352 4.291 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000582378182 1038645053 /nfs/dbraw/zinc/64/50/53/1038645053.db2.gz ROGASGJQJLRLIV-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO CC1CC[NH+](c2ccc(NCc3ccc(C#N)s3)cc2)CC1 ZINC000158262942 1038659968 /nfs/dbraw/zinc/65/99/68/1038659968.db2.gz QBQWKCKTJSQFCR-UHFFFAOYSA-N 1 1 311.454 4.468 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167597894 1038754580 /nfs/dbraw/zinc/75/45/80/1038754580.db2.gz APCXIZGWAGAGMY-QGZVFWFLSA-N 1 1 309.400 4.037 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1nc2ccccc2nc1C ZINC000060942757 1038772226 /nfs/dbraw/zinc/77/22/26/1038772226.db2.gz AQFFBDBEEVZHLT-UHFFFAOYSA-N 1 1 309.438 4.188 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1nc2ccccc2nc1C ZINC000060942757 1038772236 /nfs/dbraw/zinc/77/22/36/1038772236.db2.gz AQFFBDBEEVZHLT-UHFFFAOYSA-N 1 1 309.438 4.188 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000934646758 1038925102 /nfs/dbraw/zinc/92/51/02/1038925102.db2.gz UNBTYNCJFAMKPI-UHFFFAOYSA-N 1 1 305.809 4.178 20 30 DIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC001167619455 1038937247 /nfs/dbraw/zinc/93/72/47/1038937247.db2.gz LRNNDLIIDDJPRR-WBVHZDCISA-N 1 1 308.400 4.150 20 30 DIEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC001167619451 1038938975 /nfs/dbraw/zinc/93/89/75/1038938975.db2.gz LRNNDLIIDDJPRR-NVXWUHKLSA-N 1 1 308.400 4.150 20 30 DIEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001167633892 1039012642 /nfs/dbraw/zinc/01/26/42/1039012642.db2.gz GQHPRTZDYKFTJS-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001167633892 1039012659 /nfs/dbraw/zinc/01/26/59/1039012659.db2.gz GQHPRTZDYKFTJS-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1Cl ZINC001140603874 1039018467 /nfs/dbraw/zinc/01/84/67/1039018467.db2.gz 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ZINC000525635322 1039111829 /nfs/dbraw/zinc/11/18/29/1039111829.db2.gz SPBHTDWSHFNQCS-FQEVSTJZSA-N 1 1 321.420 4.044 20 30 DIEDMO CC#CC[N@@H+](Cc1ccccc1)[C@H]1CCOc2ccc(OC)cc21 ZINC000525635322 1039111836 /nfs/dbraw/zinc/11/18/36/1039111836.db2.gz SPBHTDWSHFNQCS-FQEVSTJZSA-N 1 1 321.420 4.044 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000442693497 1039121792 /nfs/dbraw/zinc/12/17/92/1039121792.db2.gz PFHYKUTWJXIKNT-MAUKXSAKSA-N 1 1 308.400 4.323 20 30 DIEDMO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3F)oc21 ZINC000178781923 1039145648 /nfs/dbraw/zinc/14/56/48/1039145648.db2.gz JEVOTBSTBJIULX-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccccc2C)C2CC2)cc1C#N ZINC000535410312 1039209505 /nfs/dbraw/zinc/20/95/05/1039209505.db2.gz SHXZTBCRAYMOOW-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO Cn1c2ccc(NCc3cccc(C#N)c3)cc2[nH+]c1C(C)(C)C ZINC000535541608 1039235302 /nfs/dbraw/zinc/23/53/02/1039235302.db2.gz FPEXECFAHQSWAI-UHFFFAOYSA-N 1 1 318.424 4.355 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000539569664 1039293722 /nfs/dbraw/zinc/29/37/22/1039293722.db2.gz MYOLJAQCHDEHRC-ZDUSSCGKSA-N 1 1 308.828 4.426 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(Br)cn1 ZINC000171970917 1039318774 /nfs/dbraw/zinc/31/87/74/1039318774.db2.gz HOLIZSLGJQGYBJ-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(Br)cn1 ZINC000171970917 1039318790 /nfs/dbraw/zinc/31/87/90/1039318790.db2.gz HOLIZSLGJQGYBJ-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343302708 1039385185 /nfs/dbraw/zinc/38/51/85/1039385185.db2.gz MFDYPGZHFGOVIW-MRXNPFEDSA-N 1 1 322.456 4.100 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000343302708 1039385198 /nfs/dbraw/zinc/38/51/98/1039385198.db2.gz MFDYPGZHFGOVIW-MRXNPFEDSA-N 1 1 322.456 4.100 20 30 DIEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000540217757 1039457124 /nfs/dbraw/zinc/45/71/24/1039457124.db2.gz UVEUGEQGANCZPU-OAHLLOKOSA-N 1 1 315.392 4.021 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540590024 1039521614 /nfs/dbraw/zinc/52/16/14/1039521614.db2.gz SOTMQRJBVSRSBH-OAHLLOKOSA-N 1 1 324.399 4.359 20 30 DIEDMO C=CC[N@H+](CCCCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000151302655 1039539560 /nfs/dbraw/zinc/53/95/60/1039539560.db2.gz ALUCJYIIAOKAHW-UHFFFAOYSA-N 1 1 316.323 4.315 20 30 DIEDMO Cc1cc(Br)cc2c1C[N@H+](CCC(C)(C)C#N)CC2 ZINC000540712776 1039552135 /nfs/dbraw/zinc/55/21/35/1039552135.db2.gz IJPUYCQJDLPMTH-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO Cc1cc(Br)cc2c1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000540712776 1039552150 /nfs/dbraw/zinc/55/21/50/1039552150.db2.gz IJPUYCQJDLPMTH-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000584076798 1039594657 /nfs/dbraw/zinc/59/46/57/1039594657.db2.gz PCDSTPSFHVRVNS-IBGZPJMESA-N 1 1 324.424 4.159 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134775059 1039647693 /nfs/dbraw/zinc/64/76/93/1039647693.db2.gz AYYAHTBEGYYAPQ-ROUUACIJSA-N 1 1 318.436 4.044 20 30 DIEDMO CC[C@@H]([NH2+]C1(c2nc(C)cs2)CCC1)c1ccc(C#N)cc1 ZINC000278693771 1039652608 /nfs/dbraw/zinc/65/26/08/1039652608.db2.gz KOYAAYYEAJUZJY-MRXNPFEDSA-N 1 1 311.454 4.443 20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000541282835 1039658361 /nfs/dbraw/zinc/65/83/61/1039658361.db2.gz OUKKHNGFFXGFIZ-ZDUSSCGKSA-N 1 1 300.352 4.224 20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000541282835 1039658370 /nfs/dbraw/zinc/65/83/70/1039658370.db2.gz OUKKHNGFFXGFIZ-ZDUSSCGKSA-N 1 1 300.352 4.224 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000541349050 1039670927 /nfs/dbraw/zinc/67/09/27/1039670927.db2.gz PEBNJKXWPMRYRR-UHFFFAOYSA-N 1 1 300.471 4.004 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(SC)c(OC)c1 ZINC000491328465 1039766343 /nfs/dbraw/zinc/76/63/43/1039766343.db2.gz HRDGWCVLMJFWAF-UHFFFAOYSA-N 1 1 317.454 4.241 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(-c2cccs2)on1 ZINC000491396072 1039841660 /nfs/dbraw/zinc/84/16/60/1039841660.db2.gz KKAICEKYDPXWPJ-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(-c2cccs2)on1 ZINC000491396072 1039841684 /nfs/dbraw/zinc/84/16/84/1039841684.db2.gz KKAICEKYDPXWPJ-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000491402566 1039842244 /nfs/dbraw/zinc/84/22/44/1039842244.db2.gz URCORZWKCJNKTO-ZDUSSCGKSA-N 1 1 316.351 4.353 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1cccc2ccccc21 ZINC000030204340 1039872137 /nfs/dbraw/zinc/87/21/37/1039872137.db2.gz QGLFFRVETHFLAV-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C[N@H+](Cc1cc(C#N)ccc1F)Cc1ccc(F)c2cccnc12 ZINC000030209588 1039874049 /nfs/dbraw/zinc/87/40/49/1039874049.db2.gz BEHFOCSNUCSEFJ-UHFFFAOYSA-N 1 1 323.346 4.017 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)Cc1ccc(F)c2cccnc12 ZINC000030209588 1039874074 /nfs/dbraw/zinc/87/40/74/1039874074.db2.gz 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30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@H](CC)c2ccc(C#N)cc2)o1 ZINC000278871418 1042144388 /nfs/dbraw/zinc/14/43/88/1042144388.db2.gz WZTGVTHOATVFIH-MSOLQXFVSA-N 1 1 312.413 4.142 20 30 DIEDMO C=C(C)CCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001136228563 1042185387 /nfs/dbraw/zinc/18/53/87/1042185387.db2.gz OLDOCOVNIXSYJY-QGZVFWFLSA-N 1 1 314.473 4.034 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000584687750 1042206135 /nfs/dbraw/zinc/20/61/35/1042206135.db2.gz LUECFJVYIXMHSE-OTWHNJEPSA-N 1 1 308.450 4.388 20 30 DIEDMO C=CC1(CC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136398813 1042237107 /nfs/dbraw/zinc/23/71/07/1042237107.db2.gz XDFDWTDPVHVBAJ-KRWDZBQOSA-N 1 1 320.521 4.140 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000569943298 1042242025 /nfs/dbraw/zinc/24/20/25/1042242025.db2.gz BNZACEQJOCHIPE-IBGZPJMESA-N 1 1 312.457 4.260 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000585762746 1042244493 /nfs/dbraw/zinc/24/44/93/1042244493.db2.gz ADCUDDNSMAWLQX-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)cc1F ZINC000585762746 1042244500 /nfs/dbraw/zinc/24/45/00/1042244500.db2.gz ADCUDDNSMAWLQX-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001170980392 1042276135 /nfs/dbraw/zinc/27/61/35/1042276135.db2.gz HODMQCKUSGBMDS-QZTJIDSGSA-N 1 1 313.441 4.112 20 30 DIEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001170980392 1042276143 /nfs/dbraw/zinc/27/61/43/1042276143.db2.gz HODMQCKUSGBMDS-QZTJIDSGSA-N 1 1 313.441 4.112 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000822433235 1042285653 /nfs/dbraw/zinc/28/56/53/1042285653.db2.gz LHTNIXSXWNXHSZ-KSZLIROESA-N 1 1 308.510 4.116 20 30 DIEDMO C=C(C)C[N@H+]1CCCC[C@@H]1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990254 1042291062 /nfs/dbraw/zinc/29/10/62/1042291062.db2.gz JSKJRWBZVARYAK-DLBZAZTESA-N 1 1 322.493 4.064 20 30 DIEDMO N#CCCC[C@@H]([NH3+])c1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000823259640 1042318047 /nfs/dbraw/zinc/31/80/47/1042318047.db2.gz NZFPIHHZGHHBDI-OFLPRAFFSA-N 1 1 324.428 4.205 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932204199 1042379876 /nfs/dbraw/zinc/37/98/76/1042379876.db2.gz OXIRBJJTPWQQHN-OAHLLOKOSA-N 1 1 305.491 4.118 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932204198 1042379886 /nfs/dbraw/zinc/37/98/86/1042379886.db2.gz OXIRBJJTPWQQHN-HNNXBMFYSA-N 1 1 305.491 4.118 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160592 1042417868 /nfs/dbraw/zinc/41/78/68/1042417868.db2.gz JQWGMJAGGIVSIC-UHFFFAOYSA-N 1 1 310.416 4.301 20 30 DIEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160400 1042418295 /nfs/dbraw/zinc/41/82/95/1042418295.db2.gz ZJTLIXXZTZXVLI-UHFFFAOYSA-N 1 1 308.425 4.128 20 30 DIEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614170510 1042421474 /nfs/dbraw/zinc/42/14/74/1042421474.db2.gz APBWSKSAIHWDQR-LJQANCHMSA-N 1 1 307.441 4.163 20 30 DIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178509 1042422696 /nfs/dbraw/zinc/42/26/96/1042422696.db2.gz IULKSNLXEBDMFX-IBGZPJMESA-N 1 1 307.441 4.466 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178423 1042422710 /nfs/dbraw/zinc/42/27/10/1042422710.db2.gz BSSKYGAIKWJBSP-SFHVURJKSA-N 1 1 322.456 4.165 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nccs1 ZINC000614175337 1042422771 /nfs/dbraw/zinc/42/27/71/1042422771.db2.gz ICHJXBKQFZHQOW-GOSISDBHSA-N 1 1 313.470 4.359 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000614176632 1042423071 /nfs/dbraw/zinc/42/30/71/1042423071.db2.gz GWNLTXNXCZXWSG-UHFFFAOYSA-N 1 1 308.400 4.185 20 30 DIEDMO C[N@@H+](Cc1ccsc1)Cc1cccc(OCCCC#N)c1 ZINC000120463981 1042433281 /nfs/dbraw/zinc/43/32/81/1042433281.db2.gz SDINLBOLRXGNKN-UHFFFAOYSA-N 1 1 300.427 4.063 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411291517 1042436509 /nfs/dbraw/zinc/43/65/09/1042436509.db2.gz KVXFEXRPVUFYGG-KRWDZBQOSA-N 1 1 312.457 4.349 20 30 DIEDMO C[C@H](CCC#N)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692593 1042459808 /nfs/dbraw/zinc/45/98/08/1042459808.db2.gz KWGOPRBPKBUSAC-IUODEOHRSA-N 1 1 314.326 4.268 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000411692593 1042459812 /nfs/dbraw/zinc/45/98/12/1042459812.db2.gz KWGOPRBPKBUSAC-IUODEOHRSA-N 1 1 314.326 4.268 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)cc1 ZINC000614395947 1042491118 /nfs/dbraw/zinc/49/11/18/1042491118.db2.gz CCIXLSTUHFXJAV-FQEVSTJZSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265657253 1042493720 /nfs/dbraw/zinc/49/37/20/1042493720.db2.gz QFGPLZMSANLUSB-CRAIPNDOSA-N 1 1 306.409 4.117 20 30 DIEDMO CC(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000729267133 1042517018 /nfs/dbraw/zinc/51/70/18/1042517018.db2.gz KCFXIISXCYCZQY-UHFFFAOYSA-N 1 1 308.425 4.344 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000729267318 1042517393 /nfs/dbraw/zinc/51/73/93/1042517393.db2.gz QZBPXWGROWEQSQ-FQEVSTJZSA-N 1 1 306.409 4.235 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1Cl ZINC000151142359 1042530224 /nfs/dbraw/zinc/53/02/24/1042530224.db2.gz IBTPRPQWJCZTKZ-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C=CCn1cc(C[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)nn1 ZINC000424292866 1042731289 /nfs/dbraw/zinc/73/12/89/1042731289.db2.gz HTDYWMCKYPGBLE-SFHVURJKSA-N 1 1 324.428 4.087 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@H](CCC)c2ncccc2Cl)CC1 ZINC000924985328 1042782273 /nfs/dbraw/zinc/78/22/73/1042782273.db2.gz IFLKVZJPABGIQO-QGZVFWFLSA-N 1 1 321.896 4.206 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@@H](CCC)c2ncccc2Cl)CC1 ZINC000924985323 1042782522 /nfs/dbraw/zinc/78/25/22/1042782522.db2.gz IFLKVZJPABGIQO-KRWDZBQOSA-N 1 1 321.896 4.206 20 30 DIEDMO C[C@H](CC1CCOCC1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365176 1042797619 /nfs/dbraw/zinc/79/76/19/1042797619.db2.gz JESGYVSKBSJDNY-CVEARBPZSA-N 1 1 300.446 4.004 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)CC1CCOCC1 ZINC000425365180 1042798079 /nfs/dbraw/zinc/79/80/79/1042798079.db2.gz JESGYVSKBSJDNY-JKSUJKDBSA-N 1 1 300.446 4.004 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1C(C)=CCC[C@H]1C ZINC000515017418 1042805619 /nfs/dbraw/zinc/80/56/19/1042805619.db2.gz AFRSCMDSLDXUBV-APWZRJJASA-N 1 1 303.446 4.142 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042842 1042864384 /nfs/dbraw/zinc/86/43/84/1042864384.db2.gz DYHKGUMQRXMJHS-OAHLLOKOSA-N 1 1 308.347 4.113 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1C#N ZINC000517054311 1042865004 /nfs/dbraw/zinc/86/50/04/1042865004.db2.gz GLEIKHHKYFLSOM-IYBDPMFKSA-N 1 1 310.363 4.420 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](C)Cc1ccsc1 ZINC000425922209 1042874401 /nfs/dbraw/zinc/87/44/01/1042874401.db2.gz QUXYPPALKZIEOO-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO C=C(C)C[N@H+](Cc1cc2c(cccc2C)[nH]1)Cc1ccc(CO)o1 ZINC000668145433 1042983928 /nfs/dbraw/zinc/98/39/28/1042983928.db2.gz LIRLBGUQHHXMMN-UHFFFAOYSA-N 1 1 324.424 4.140 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cc2c(cccc2C)[nH]1)Cc1ccc(CO)o1 ZINC000668145433 1042983930 /nfs/dbraw/zinc/98/39/30/1042983930.db2.gz LIRLBGUQHHXMMN-UHFFFAOYSA-N 1 1 324.424 4.140 20 30 DIEDMO CC[N@@H+](Cc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000119992582 1042990203 /nfs/dbraw/zinc/99/02/03/1042990203.db2.gz CTHQTFAOSKJRIO-UHFFFAOYSA-N 1 1 314.454 4.453 20 30 DIEDMO CCc1ccc[nH+]c1NCc1ccc(C#N)cc1C(F)(F)F ZINC000519671078 1042998813 /nfs/dbraw/zinc/99/88/13/1042998813.db2.gz FXQYEOVGSGFPCF-UHFFFAOYSA-N 1 1 305.303 4.147 20 30 DIEDMO CCCc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)cc1 ZINC000519789460 1043002346 /nfs/dbraw/zinc/00/23/46/1043002346.db2.gz GNHGSUYBCOOIIS-SFHVURJKSA-N 1 1 313.470 4.454 20 30 DIEDMO C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882874 1043055220 /nfs/dbraw/zinc/05/52/20/1043055220.db2.gz CKTZSBIKLJCTRP-UWJYYQICSA-N 1 1 319.452 4.046 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCCC3)cc2)o1 ZINC000174327755 1043064563 /nfs/dbraw/zinc/06/45/63/1043064563.db2.gz XOCOYRKEMMAYCB-UHFFFAOYSA-N 1 1 310.397 4.153 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1F ZINC000794819772 1043065969 /nfs/dbraw/zinc/06/59/69/1043065969.db2.gz XVTYWQCQLAIGEE-GOSISDBHSA-N 1 1 318.342 4.462 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)o1 ZINC000174585909 1043067355 /nfs/dbraw/zinc/06/73/55/1043067355.db2.gz NJSXFPUIKRRJDN-UHFFFAOYSA-N 1 1 320.314 4.339 20 30 DIEDMO CC(C)(C)c1csc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000865547478 1043112058 /nfs/dbraw/zinc/11/20/58/1043112058.db2.gz WVNXTGIULSSWTA-OAHLLOKOSA-N 1 1 311.454 4.089 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177787936 1043113974 /nfs/dbraw/zinc/11/39/74/1043113974.db2.gz UMYFHZIGYNBREF-CYBMUJFWSA-N 1 1 311.454 4.087 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177787936 1043113976 /nfs/dbraw/zinc/11/39/76/1043113976.db2.gz UMYFHZIGYNBREF-CYBMUJFWSA-N 1 1 311.454 4.087 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000441456351 1043128469 /nfs/dbraw/zinc/12/84/69/1043128469.db2.gz GSCBDVNALIXQOU-UHFFFAOYSA-N 1 1 301.409 4.190 20 30 DIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2noc3cc(F)ccc23)cc1 ZINC000865836612 1043138827 /nfs/dbraw/zinc/13/88/27/1043138827.db2.gz LLONQXAIIQXORU-UHFFFAOYSA-N 1 1 323.371 4.058 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000441469350 1043153817 /nfs/dbraw/zinc/15/38/17/1043153817.db2.gz ICFJDFQZGAMJOB-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000441469350 1043153819 /nfs/dbraw/zinc/15/38/19/1043153819.db2.gz ICFJDFQZGAMJOB-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@@H+]1CCCC(C)(C)C#N ZINC000189510591 1043155498 /nfs/dbraw/zinc/15/54/98/1043155498.db2.gz KEXKMAINLQLUON-RHSMWYFYSA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@@H]1CO[C@@H](c2cccc(Cl)c2)C[N@H+]1CCCC(C)(C)C#N ZINC000189510591 1043155501 /nfs/dbraw/zinc/15/55/01/1043155501.db2.gz KEXKMAINLQLUON-RHSMWYFYSA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533790 1043157693 /nfs/dbraw/zinc/15/76/93/1043157693.db2.gz QSUVNVCDWMEIPM-LEWJYISDSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533790 1043157700 /nfs/dbraw/zinc/15/77/00/1043157700.db2.gz QSUVNVCDWMEIPM-LEWJYISDSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1cccc(C#N)c1O ZINC000866382499 1043195268 /nfs/dbraw/zinc/19/52/68/1043195268.db2.gz QINDUDPDZJJYPE-ZDUSSCGKSA-N 1 1 310.372 4.133 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121772035 1043260926 /nfs/dbraw/zinc/26/09/26/1043260926.db2.gz TUWFWZLFIGXHKA-RTBURBONSA-N 1 1 324.424 4.020 20 30 DIEDMO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)o1 ZINC000173573533 1043294407 /nfs/dbraw/zinc/29/44/07/1043294407.db2.gz ZLYGBRROIDADBH-GOSISDBHSA-N 1 1 312.413 4.427 20 30 DIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCCSCC#N ZINC000266791018 1043302343 /nfs/dbraw/zinc/30/23/43/1043302343.db2.gz ZQYUBSKIPYZFHF-LBPRGKRZSA-N 1 1 316.392 4.345 20 30 DIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCSCC#N ZINC000266755695 1043302841 /nfs/dbraw/zinc/30/28/41/1043302841.db2.gz ROPPQAKTWQNFGF-LBPRGKRZSA-N 1 1 316.392 4.345 20 30 DIEDMO C=CCC1(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CCCC1 ZINC001271024744 1043368300 /nfs/dbraw/zinc/36/83/00/1043368300.db2.gz UADYBLMGMKMBIH-UHFFFAOYSA-N 1 1 320.864 4.477 20 30 DIEDMO CCC(CC)(CN[C@@H]1CC[C@H](C#N)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000442774345 1043416233 /nfs/dbraw/zinc/41/62/33/1043416233.db2.gz AHCHZIRRDYCZLI-JENIJYKNSA-N 1 1 313.489 4.178 20 30 DIEDMO COc1cc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000442800410 1043426308 /nfs/dbraw/zinc/42/63/08/1043426308.db2.gz JVLHVUVJAHEXQM-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000442800410 1043426315 /nfs/dbraw/zinc/42/63/15/1043426315.db2.gz JVLHVUVJAHEXQM-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO C=C(C)COCC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925531541 1043426952 /nfs/dbraw/zinc/42/69/52/1043426952.db2.gz LJTCNLNVAHDFOI-HXUWFJFHSA-N 1 1 322.408 4.100 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1CC1CCC1 ZINC000925601438 1043435816 /nfs/dbraw/zinc/43/58/16/1043435816.db2.gz LMOTXJPTFZEBGY-APWZRJJASA-N 1 1 322.456 4.379 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000925643753 1043442814 /nfs/dbraw/zinc/44/28/14/1043442814.db2.gz HDCBQOKSOBQIIA-KXBFYZLASA-N 1 1 323.440 4.098 20 30 DIEDMO CC(C)CCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000271620515 1043443991 /nfs/dbraw/zinc/44/39/91/1043443991.db2.gz CRQUGRDUQMGDSQ-AWEZNQCLSA-N 1 1 313.470 4.454 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000558173907 1043451054 /nfs/dbraw/zinc/45/10/54/1043451054.db2.gz BNHSMZWPBOXJGC-IBGZPJMESA-N 1 1 308.425 4.344 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000558184004 1043453132 /nfs/dbraw/zinc/45/31/32/1043453132.db2.gz VZYJMPBSEWOMES-FZNQNYSPSA-N 1 1 313.338 4.230 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cc(O)ccc1F ZINC000872085884 1043454365 /nfs/dbraw/zinc/45/43/65/1043454365.db2.gz ROUSLMNQLIWRCH-ZDUSSCGKSA-N 1 1 310.372 4.133 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCOc2c(F)cccc21 ZINC000442992945 1043464460 /nfs/dbraw/zinc/46/44/60/1043464460.db2.gz OOBVJAZAVUAOCH-KRWDZBQOSA-N 1 1 313.372 4.004 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccc1F ZINC000521821337 1043486545 /nfs/dbraw/zinc/48/65/45/1043486545.db2.gz FHMCCOAWJHJGFG-UHFFFAOYSA-N 1 1 321.399 4.227 20 30 DIEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCCc4c(Cl)ccnc43)CC2)c1 ZINC000925925990 1043495154 /nfs/dbraw/zinc/49/51/54/1043495154.db2.gz LJTNXUCGGJWVOX-QGZVFWFLSA-N 1 1 323.827 4.263 20 30 DIEDMO CSc1nnc(SC)n1[NH+]=C[C@H](C)CC1CCCCC1 ZINC000872417395 1043497259 /nfs/dbraw/zinc/49/72/59/1043497259.db2.gz APLSKIPCXMFZAM-LLVKDONJSA-N 1 1 312.508 4.162 20 30 DIEDMO CC1(C)C[C@@H]([N@@H+](CCCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349388360 1043504682 /nfs/dbraw/zinc/50/46/82/1043504682.db2.gz WCDNNDRFGBJHKB-QGZVFWFLSA-N 1 1 300.446 4.138 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cnc(C3CCC3)s2)C2CC2)cc1 ZINC000349922035 1043530897 /nfs/dbraw/zinc/53/08/97/1043530897.db2.gz YWDDFMHZYLIZJF-UHFFFAOYSA-N 1 1 323.465 4.447 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(C3CCC3)s2)C2CC2)cc1 ZINC000349922035 1043530908 /nfs/dbraw/zinc/53/09/08/1043530908.db2.gz YWDDFMHZYLIZJF-UHFFFAOYSA-N 1 1 323.465 4.447 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)cs1 ZINC000895186108 1043553460 /nfs/dbraw/zinc/55/34/60/1043553460.db2.gz HGHIDFOWUSBBMQ-FHWLQOOXSA-N 1 1 324.449 4.114 20 30 DIEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC=C(C)C ZINC001275067111 1043570232 /nfs/dbraw/zinc/57/02/32/1043570232.db2.gz OGAYUIQMEHYFSJ-UYAOXDASSA-N 1 1 318.505 4.012 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC[C@@H](C)CCC=C(C)C)C1=O ZINC001275123537 1043575729 /nfs/dbraw/zinc/57/57/29/1043575729.db2.gz HIUABNHVDQEXBX-AZUAARDMSA-N 1 1 318.505 4.012 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001275113747 1043576961 /nfs/dbraw/zinc/57/69/61/1043576961.db2.gz IDHAIVDYAYHNHF-FQEVSTJZSA-N 1 1 320.521 4.071 20 30 DIEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926478766 1043583298 /nfs/dbraw/zinc/58/32/98/1043583298.db2.gz CNVKXRUGECAHCH-IAGOWNOFSA-N 1 1 309.413 4.385 20 30 DIEDMO COc1ccc2oc(C[N@H+](CCC#N)CC(C)(C)C)cc2c1 ZINC000353417665 1043606697 /nfs/dbraw/zinc/60/66/97/1043606697.db2.gz WGOKFXAMWGUGHQ-UHFFFAOYSA-N 1 1 300.402 4.203 20 30 DIEDMO COc1ccc2oc(C[N@@H+](CCC#N)CC(C)(C)C)cc2c1 ZINC000353417665 1043606700 /nfs/dbraw/zinc/60/67/00/1043606700.db2.gz WGOKFXAMWGUGHQ-UHFFFAOYSA-N 1 1 300.402 4.203 20 30 DIEDMO CCC1(CC)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000353609790 1043623506 /nfs/dbraw/zinc/62/35/06/1043623506.db2.gz PHMPSHHWTQFPTM-UHFFFAOYSA-N 1 1 300.446 4.381 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1OC ZINC000353679521 1043632345 /nfs/dbraw/zinc/63/23/45/1043632345.db2.gz HEHKPBOEGVMIII-UHFFFAOYSA-N 1 1 301.430 4.026 20 30 DIEDMO C=CCCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000353696737 1043634111 /nfs/dbraw/zinc/63/41/11/1043634111.db2.gz BNEGINAMNQHMIB-UHFFFAOYSA-N 1 1 301.409 4.026 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1ccco1 ZINC000926917887 1043656221 /nfs/dbraw/zinc/65/62/21/1043656221.db2.gz FAUACXCZPPPQNT-CYBMUJFWSA-N 1 1 302.443 4.412 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC001252986838 1043695797 /nfs/dbraw/zinc/69/57/97/1043695797.db2.gz XKJQKUOTDMNPSF-MRXNPFEDSA-N 1 1 312.523 4.467 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC001252986838 1043695804 /nfs/dbraw/zinc/69/58/04/1043695804.db2.gz XKJQKUOTDMNPSF-MRXNPFEDSA-N 1 1 312.523 4.467 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cc2c(ccnc2Cl)o1 ZINC000876691831 1043706693 /nfs/dbraw/zinc/70/66/93/1043706693.db2.gz QWRNSMKGCKTSEG-UHFFFAOYSA-N 1 1 305.809 4.243 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2c(ccnc2Cl)o1 ZINC000876691831 1043706706 /nfs/dbraw/zinc/70/67/06/1043706706.db2.gz QWRNSMKGCKTSEG-UHFFFAOYSA-N 1 1 305.809 4.243 20 30 DIEDMO C[N@@H+](CCOCCC#N)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000559228410 1043713429 /nfs/dbraw/zinc/71/34/29/1043713429.db2.gz YLCHYYRHHUIPQD-GOSISDBHSA-N 1 1 320.864 4.433 20 30 DIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2nc(C)cs2)cc1 ZINC000126295931 1043734515 /nfs/dbraw/zinc/73/45/15/1043734515.db2.gz BLRVSCZPBOEMGM-ZDUSSCGKSA-N 1 1 322.861 4.434 20 30 DIEDMO CCc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877083121 1043741449 /nfs/dbraw/zinc/74/14/49/1043741449.db2.gz IFOFLIBORMLWMW-UHFFFAOYSA-N 1 1 313.832 4.194 20 30 DIEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090743 1043743685 /nfs/dbraw/zinc/74/36/85/1043743685.db2.gz VFYBEDYPUCQWRT-ZACQAIPSSA-N 1 1 300.446 4.236 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc(COC)cs1)c1ccc(Cl)cc1 ZINC000825948910 1043754053 /nfs/dbraw/zinc/75/40/53/1043754053.db2.gz MUAKJVBBAXURAK-INIZCTEOSA-N 1 1 305.830 4.012 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137119286 1043757657 /nfs/dbraw/zinc/75/76/57/1043757657.db2.gz DCROUYJKDKCSFF-UHFFFAOYSA-N 1 1 306.409 4.167 20 30 DIEDMO Cc1cccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCC2)c1 ZINC000877605645 1043779690 /nfs/dbraw/zinc/77/96/90/1043779690.db2.gz UWPWRFOYSLTSFI-UHFFFAOYSA-N 1 1 311.816 4.084 20 30 DIEDMO Cc1ccc(C2([NH2+]Cc3cc(C#N)cnc3Cl)CCC2)cc1 ZINC000877607193 1043779898 /nfs/dbraw/zinc/77/98/98/1043779898.db2.gz AKDOITVWEUQYFC-UHFFFAOYSA-N 1 1 311.816 4.084 20 30 DIEDMO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CCC1 ZINC000355613904 1043781523 /nfs/dbraw/zinc/78/15/23/1043781523.db2.gz ZAAVZTUDTWQBKD-UHFFFAOYSA-N 1 1 322.456 4.086 20 30 DIEDMO C#CCCCCCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000877634279 1043783533 /nfs/dbraw/zinc/78/35/33/1043783533.db2.gz LZICPFWDXOVTDH-GOSISDBHSA-N 1 1 301.430 4.017 20 30 DIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3ccc(Cl)cc32)c1 ZINC000877661336 1043786743 /nfs/dbraw/zinc/78/67/43/1043786743.db2.gz ZRAYMIKFNBJZLP-HNNXBMFYSA-N 1 1 318.207 4.037 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)[nH]n1 ZINC000877783972 1043796819 /nfs/dbraw/zinc/79/68/19/1043796819.db2.gz LZNXXVBKAQOENQ-OAHLLOKOSA-N 1 1 302.466 4.042 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@H+](CC(C)(C)CCC#N)C2)n[nH]1 ZINC000877783972 1043796829 /nfs/dbraw/zinc/79/68/29/1043796829.db2.gz LZNXXVBKAQOENQ-OAHLLOKOSA-N 1 1 302.466 4.042 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)n[nH]1 ZINC000877783972 1043796838 /nfs/dbraw/zinc/79/68/38/1043796838.db2.gz LZNXXVBKAQOENQ-OAHLLOKOSA-N 1 1 302.466 4.042 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000929297911 1043808761 /nfs/dbraw/zinc/80/87/61/1043808761.db2.gz MCLUYLGNPXRFKC-JMLCCBQJSA-N 1 1 318.848 4.043 20 30 DIEDMO C[N@H+](Cc1cscc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000356106241 1043812265 /nfs/dbraw/zinc/81/22/65/1043812265.db2.gz YMAPJZWGOCSRRH-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1cscc1C(F)(F)F)Cc1cccc(C#N)c1 ZINC000356106241 1043812288 /nfs/dbraw/zinc/81/22/88/1043812288.db2.gz YMAPJZWGOCSRRH-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133444 1043813672 /nfs/dbraw/zinc/81/36/72/1043813672.db2.gz XOWBZEASWMOGEM-AWEZNQCLSA-N 1 1 311.454 4.378 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133444 1043813681 /nfs/dbraw/zinc/81/36/81/1043813681.db2.gz XOWBZEASWMOGEM-AWEZNQCLSA-N 1 1 311.454 4.378 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1OCCc2ccccc21 ZINC000929468295 1043820800 /nfs/dbraw/zinc/82/08/00/1043820800.db2.gz JLMDJAYLFYGDFU-IBGZPJMESA-N 1 1 312.457 4.096 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000877965384 1043831974 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N#CCC1CC[NH+](Cc2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000561862324 1044016027 /nfs/dbraw/zinc/01/60/27/1044016027.db2.gz XMZFNKSEWFLNJV-UHFFFAOYSA-N 1 1 318.289 4.109 20 30 DIEDMO C=CCCCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000561907813 1044024767 /nfs/dbraw/zinc/02/47/67/1044024767.db2.gz ZOAQPYOCPDUTSI-DLBZAZTESA-N 1 1 305.487 4.234 20 30 DIEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)[C@@H]1c1cccs1 ZINC000561960654 1044035254 /nfs/dbraw/zinc/03/52/54/1044035254.db2.gz UCENQXZBPZKLAB-QGZVFWFLSA-N 1 1 312.438 4.082 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C)n1C1CC1)c1ccccc1 ZINC000880390124 1044036342 /nfs/dbraw/zinc/03/63/42/1044036342.db2.gz XJDLZYORXAISDW-SFHVURJKSA-N 1 1 310.445 4.109 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000880390993 1044037780 /nfs/dbraw/zinc/03/77/80/1044037780.db2.gz ZVKSFJKLZJNXAJ-SFHVURJKSA-N 1 1 312.461 4.220 20 30 DIEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000931748919 1044066114 /nfs/dbraw/zinc/06/61/14/1044066114.db2.gz DYQSQKWKAQLVOQ-OFLPRAFFSA-N 1 1 317.502 4.036 20 30 DIEDMO N#CC1(CC[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CCCCC1 ZINC000931910851 1044084579 /nfs/dbraw/zinc/08/45/79/1044084579.db2.gz IZRVQOPGWPKOCU-CQSZACIVSA-N 1 1 318.358 4.217 20 30 DIEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000358597750 1044085104 /nfs/dbraw/zinc/08/51/04/1044085104.db2.gz XGCAXZWLCGCBOR-QLJPJBMISA-N 1 1 301.365 4.104 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932216396 1044111137 /nfs/dbraw/zinc/11/11/37/1044111137.db2.gz WIKBTEZHZWSOLE-SFHVURJKSA-N 1 1 322.383 4.233 20 30 DIEDMO C#CC[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCc2ccccc21 ZINC001137176782 1044164451 /nfs/dbraw/zinc/16/44/51/1044164451.db2.gz MHNVWGPNKOFUMB-OAQYLSRUSA-N 1 1 312.416 4.358 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000346964952 1044178520 /nfs/dbraw/zinc/17/85/20/1044178520.db2.gz NBGBTTNJXDZDQG-HOTGVXAUSA-N 1 1 316.408 4.156 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)n1 ZINC000562913139 1044205678 /nfs/dbraw/zinc/20/56/78/1044205678.db2.gz BLWCZRMPKMJYJA-KRWDZBQOSA-N 1 1 311.454 4.002 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)n1 ZINC000562913139 1044205690 /nfs/dbraw/zinc/20/56/90/1044205690.db2.gz BLWCZRMPKMJYJA-KRWDZBQOSA-N 1 1 311.454 4.002 20 30 DIEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000444228717 1044242425 /nfs/dbraw/zinc/24/24/25/1044242425.db2.gz RXUYXDXTGNBCHL-UHFFFAOYSA-N 1 1 306.425 4.141 20 30 DIEDMO COc1ccc(C2CC2)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000883266391 1044256486 /nfs/dbraw/zinc/25/64/86/1044256486.db2.gz ZGHCLTKRDHKHNF-CYBMUJFWSA-N 1 1 324.399 4.434 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000934877795 1044291135 /nfs/dbraw/zinc/29/11/35/1044291135.db2.gz SSOOMPZXBMGKBV-MAUKXSAKSA-N 1 1 315.461 4.056 20 30 DIEDMO Cc1onc(-c2ccccc2)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001141992074 1044291767 /nfs/dbraw/zinc/29/17/67/1044291767.db2.gz AHRHFIFBQDBTLF-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000883382219 1044293853 /nfs/dbraw/zinc/29/38/53/1044293853.db2.gz BQAUVOZHBRXJAL-XMCHAPAWSA-N 1 1 324.399 4.093 20 30 DIEDMO COC[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000360659666 1044295681 /nfs/dbraw/zinc/29/56/81/1044295681.db2.gz ZUKUGXPNQXCJTG-RTBURBONSA-N 1 1 324.424 4.205 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000186174009 1044301106 /nfs/dbraw/zinc/30/11/06/1044301106.db2.gz SGFZXSILLKLPCA-INIZCTEOSA-N 1 1 303.409 4.321 20 30 DIEDMO COCCCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1C ZINC000186175982 1044301495 /nfs/dbraw/zinc/30/14/95/1044301495.db2.gz QKXFNXSYKOQHKG-UHFFFAOYSA-N 1 1 322.452 4.296 20 30 DIEDMO N#Cc1ccc(OCC[N@H+]2CCCCC[C@H]2c2ccco2)cc1 ZINC000523011180 1044327409 /nfs/dbraw/zinc/32/74/09/1044327409.db2.gz GTUGWQHTERCNOX-SFHVURJKSA-N 1 1 310.397 4.147 20 30 DIEDMO C=C(C)C[N@H+](CC)C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168059779 1044328919 /nfs/dbraw/zinc/32/89/19/1044328919.db2.gz HCNHTBRHJSBAGJ-ROUUACIJSA-N 1 1 300.490 4.326 20 30 DIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC(C)(C)C ZINC000361022303 1044348479 /nfs/dbraw/zinc/34/84/79/1044348479.db2.gz KUCBXHHQDIPERD-UHFFFAOYSA-N 1 1 324.472 4.332 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1cncc(C(F)(F)F)c1 ZINC000361298515 1044387694 /nfs/dbraw/zinc/38/76/94/1044387694.db2.gz XWAYXBYXPAFMNX-UHFFFAOYSA-N 1 1 312.360 4.350 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cncc(C(F)(F)F)c1 ZINC000361298515 1044387704 /nfs/dbraw/zinc/38/77/04/1044387704.db2.gz XWAYXBYXPAFMNX-UHFFFAOYSA-N 1 1 312.360 4.350 20 30 DIEDMO C=CCOc1cccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)c1 ZINC000564533318 1044388887 /nfs/dbraw/zinc/38/88/87/1044388887.db2.gz TZHOPZATCQIENQ-KRWDZBQOSA-N 1 1 303.446 4.031 20 30 DIEDMO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000564718466 1044399566 /nfs/dbraw/zinc/39/95/66/1044399566.db2.gz JHHAXDBCNIPLLE-IEBWSBKVSA-N 1 1 300.490 4.089 20 30 DIEDMO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000564718467 1044400294 /nfs/dbraw/zinc/40/02/94/1044400294.db2.gz JHHAXDBCNIPLLE-MJGOQNOKSA-N 1 1 300.490 4.089 20 30 DIEDMO Cc1ccc2c(c1)CC[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000361729137 1044437576 /nfs/dbraw/zinc/43/75/76/1044437576.db2.gz RSGWGQWTTYYCNZ-UHFFFAOYSA-N 1 1 320.436 4.236 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ncccn1)c1ccc(C(F)(F)F)cc1 ZINC000361862768 1044454117 /nfs/dbraw/zinc/45/41/17/1044454117.db2.gz QQCWPZSJZUEMBA-HNNXBMFYSA-N 1 1 321.346 4.293 20 30 DIEDMO CC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000566396586 1044489964 /nfs/dbraw/zinc/48/99/64/1044489964.db2.gz LAAXZXUVDKIKFG-OXJNMPFZSA-N 1 1 320.436 4.225 20 30 DIEDMO CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000566533803 1044495831 /nfs/dbraw/zinc/49/58/31/1044495831.db2.gz CUJMPXDSYRZZJT-SSUFTNFISA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000566533803 1044495838 /nfs/dbraw/zinc/49/58/38/1044495838.db2.gz CUJMPXDSYRZZJT-SSUFTNFISA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000566533804 1044496130 /nfs/dbraw/zinc/49/61/30/1044496130.db2.gz CUJMPXDSYRZZJT-XXYUJHKVSA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)C[C@@H](C)C#N ZINC000566533804 1044496135 /nfs/dbraw/zinc/49/61/35/1044496135.db2.gz CUJMPXDSYRZZJT-XXYUJHKVSA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@@H+](C/C(C)=C\c1ccccc1OC(F)F)C[C@H](C)C#N ZINC000566533802 1044496914 /nfs/dbraw/zinc/49/69/14/1044496914.db2.gz CUJMPXDSYRZZJT-RNQWEJQRSA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)C[C@H](C)C#N ZINC000566533802 1044496920 /nfs/dbraw/zinc/49/69/20/1044496920.db2.gz CUJMPXDSYRZZJT-RNQWEJQRSA-N 1 1 308.372 4.173 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121439341 1044525630 /nfs/dbraw/zinc/52/56/30/1044525630.db2.gz UEIBVNDZKVMKCW-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000566997449 1044535350 /nfs/dbraw/zinc/53/53/50/1044535350.db2.gz POXSTKATWXARCU-UHFFFAOYSA-N 1 1 321.468 4.186 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)cc1Cl ZINC000614800147 1044536992 /nfs/dbraw/zinc/53/69/92/1044536992.db2.gz JWIXPBUMLSVWPS-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)ccc1Cl ZINC000614800218 1044538449 /nfs/dbraw/zinc/53/84/49/1044538449.db2.gz PVSSZAIWZHWSOB-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567120984 1044543561 /nfs/dbraw/zinc/54/35/61/1044543561.db2.gz VNVXJWJVTRJBSH-PMACEKPBSA-N 1 1 305.425 4.111 20 30 DIEDMO CO[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243406 1044553237 /nfs/dbraw/zinc/55/32/37/1044553237.db2.gz LWXMRRFTGQJNBJ-QHAWAJNXSA-N 1 1 320.436 4.146 20 30 DIEDMO N#CCCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2F)CC1 ZINC000567388029 1044563086 /nfs/dbraw/zinc/56/30/86/1044563086.db2.gz VCZAQEKBGFUQAP-UHFFFAOYSA-N 1 1 314.326 4.360 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000444613119 1044573608 /nfs/dbraw/zinc/57/36/08/1044573608.db2.gz TXIXZMVLXKQKAF-INIZCTEOSA-N 1 1 314.429 4.272 20 30 DIEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCC1 ZINC000567558408 1044574309 /nfs/dbraw/zinc/57/43/09/1044574309.db2.gz BQYVGIXBMZZQEL-CQSZACIVSA-N 1 1 311.454 4.170 20 30 DIEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)CCC1 ZINC000567558408 1044574322 /nfs/dbraw/zinc/57/43/22/1044574322.db2.gz BQYVGIXBMZZQEL-CQSZACIVSA-N 1 1 311.454 4.170 20 30 DIEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000444622475 1044581217 /nfs/dbraw/zinc/58/12/17/1044581217.db2.gz VQVXNHQVYHYJDK-KRWDZBQOSA-N 1 1 302.462 4.416 20 30 DIEDMO COc1cncc(/C=C/CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000567790203 1044586585 /nfs/dbraw/zinc/58/65/85/1044586585.db2.gz RTKSTOOIAIYZCW-RRGWEWPQSA-N 1 1 321.424 4.058 20 30 DIEDMO CCOc1ccc2c(c1)CC[N@H+](CCCCC(C)(C)C#N)C2 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C=CC[C@@H]1[N@@H+](CC(=O)Nc2ccccc2C)CCCC1(C)C ZINC000444793295 1044630412 /nfs/dbraw/zinc/63/04/12/1044630412.db2.gz RQQZTGBGLJTQGF-KRWDZBQOSA-N 1 1 300.446 4.000 20 30 DIEDMO C=CCCC[N@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000568562363 1044637088 /nfs/dbraw/zinc/63/70/88/1044637088.db2.gz PKWVIBIWWLCSRG-UHFFFAOYSA-N 1 1 303.427 4.086 20 30 DIEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000886542489 1044658675 /nfs/dbraw/zinc/65/86/75/1044658675.db2.gz AWMQWSOJRINYME-PKOBYXMFSA-N 1 1 312.457 4.170 20 30 DIEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC[C@@H](C)CC(C)(C)C ZINC001275879435 1044660780 /nfs/dbraw/zinc/66/07/80/1044660780.db2.gz DPMJEPRPWBYZCH-XLIONFOSSA-N 1 1 320.521 4.092 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC[C@@H](C)CC(C)(C)C)C1=O ZINC001275888717 1044661762 /nfs/dbraw/zinc/66/17/62/1044661762.db2.gz KKAUYGBEQWITKO-XLIONFOSSA-N 1 1 320.521 4.092 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1c(O)cccc1F ZINC000886634832 1044673308 /nfs/dbraw/zinc/67/33/08/1044673308.db2.gz NTLMMAUVBAOAMR-ZDUSSCGKSA-N 1 1 310.372 4.133 20 30 DIEDMO N#CCCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC000569145046 1044678565 /nfs/dbraw/zinc/67/85/65/1044678565.db2.gz KAFLEUGZUOHDPL-OAHLLOKOSA-N 1 1 321.262 4.150 20 30 DIEDMO CSc1ccc(C[NH2+][C@H](C)c2ccncc2Cl)cc1C#N ZINC000886690090 1044681619 /nfs/dbraw/zinc/68/16/19/1044681619.db2.gz NWKFINIYSFZYIQ-LLVKDONJSA-N 1 1 317.845 4.179 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933918 1044721854 /nfs/dbraw/zinc/72/18/54/1044721854.db2.gz WKFHSGJFDDFXHK-UKRRQHHQSA-N 1 1 320.358 4.487 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173817 1044737697 /nfs/dbraw/zinc/73/76/97/1044737697.db2.gz PIDCREFGVMULIR-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173817 1044737713 /nfs/dbraw/zinc/73/77/13/1044737713.db2.gz PIDCREFGVMULIR-RDTXWAMCSA-N 1 1 309.413 4.082 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000368032272 1044762652 /nfs/dbraw/zinc/76/26/52/1044762652.db2.gz YDEXSHAEGKGRQI-NRFANRHFSA-N 1 1 316.379 4.081 20 30 DIEDMO CCn1c2ccccc2nc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000570632794 1044771357 /nfs/dbraw/zinc/77/13/57/1044771357.db2.gz OINCFLUYGYIRLA-OAHLLOKOSA-N 1 1 318.424 4.121 20 30 DIEDMO CCn1c2ccccc2nc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000570632794 1044771372 /nfs/dbraw/zinc/77/13/72/1044771372.db2.gz OINCFLUYGYIRLA-OAHLLOKOSA-N 1 1 318.424 4.121 20 30 DIEDMO COc1ccc2oc(C[N@H+](C)Cc3cc(C#N)ccc3F)cc2c1 ZINC000156513417 1044808030 /nfs/dbraw/zinc/80/80/30/1044808030.db2.gz ORFCGMCSUPSTDW-UHFFFAOYSA-N 1 1 324.355 4.084 20 30 DIEDMO COc1ccc2oc(C[N@@H+](C)Cc3cc(C#N)ccc3F)cc2c1 ZINC000156513417 1044808055 /nfs/dbraw/zinc/80/80/55/1044808055.db2.gz ORFCGMCSUPSTDW-UHFFFAOYSA-N 1 1 324.355 4.084 20 30 DIEDMO C[C@@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127533163 1044825872 /nfs/dbraw/zinc/82/58/72/1044825872.db2.gz XYYOOKXOFLIYFL-AWEZNQCLSA-N 1 1 318.342 4.145 20 30 DIEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127533163 1044825890 /nfs/dbraw/zinc/82/58/90/1044825890.db2.gz XYYOOKXOFLIYFL-AWEZNQCLSA-N 1 1 318.342 4.145 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(SC)s1 ZINC000572055661 1044838748 /nfs/dbraw/zinc/83/87/48/1044838748.db2.gz ZPMYUNLDGIVQMI-UHFFFAOYSA-N 1 1 323.483 4.134 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(SC)s1 ZINC000572055661 1044838771 /nfs/dbraw/zinc/83/87/71/1044838771.db2.gz ZPMYUNLDGIVQMI-UHFFFAOYSA-N 1 1 323.483 4.134 20 30 DIEDMO Cc1nc(C)c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000336856885 1044851056 /nfs/dbraw/zinc/85/10/56/1044851056.db2.gz OWMOHFCPHWQADT-IRXDYDNUSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nc(C)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)s1 ZINC000336856885 1044851076 /nfs/dbraw/zinc/85/10/76/1044851076.db2.gz OWMOHFCPHWQADT-IRXDYDNUSA-N 1 1 311.454 4.032 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 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20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264585671 1044899189 /nfs/dbraw/zinc/89/91/89/1044899189.db2.gz XBHJOYBQHZNWIA-ZDUSSCGKSA-N 1 1 316.351 4.060 20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264585671 1044899199 /nfs/dbraw/zinc/89/91/99/1044899199.db2.gz XBHJOYBQHZNWIA-ZDUSSCGKSA-N 1 1 316.351 4.060 20 30 DIEDMO C[C@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000574122016 1044940528 /nfs/dbraw/zinc/94/05/28/1044940528.db2.gz LONHTUZROAWTSB-LBPRGKRZSA-N 1 1 317.301 4.034 20 30 DIEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCC1(F)F ZINC000574122016 1044940540 /nfs/dbraw/zinc/94/05/40/1044940540.db2.gz LONHTUZROAWTSB-LBPRGKRZSA-N 1 1 317.301 4.034 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000411401882 1045006003 /nfs/dbraw/zinc/00/60/03/1045006003.db2.gz OAGFTAFQXULLLM-HUUCEWRRSA-N 1 1 306.837 4.123 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](CO)C(C)(C)C ZINC000441081785 1045026532 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C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000576557764 1045066928 /nfs/dbraw/zinc/06/69/28/1045066928.db2.gz FDMRYIJZJYGMIZ-LBPRGKRZSA-N 1 1 308.347 4.342 20 30 DIEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccc2ccccc2c1 ZINC000468272589 1045136378 /nfs/dbraw/zinc/13/63/78/1045136378.db2.gz WOMFYZRVFNXMLE-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1C ZINC000447731168 1045168534 /nfs/dbraw/zinc/16/85/34/1045168534.db2.gz UBHUTRQCABZZJW-UXHICEINSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)ccc1C ZINC000447731168 1045168539 /nfs/dbraw/zinc/16/85/39/1045168539.db2.gz UBHUTRQCABZZJW-UXHICEINSA-N 1 1 320.436 4.275 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)C1 ZINC000577857545 1045179229 /nfs/dbraw/zinc/17/92/29/1045179229.db2.gz UJQLCKVNUAYZRW-LIVBEALHSA-N 1 1 317.392 4.199 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cccc(C#N)c1F ZINC000578035402 1045201227 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C[C@H](C#N)OCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953935 1045860158 /nfs/dbraw/zinc/86/01/58/1045860158.db2.gz YYZKZQNYSWNPDB-RDTXWAMCSA-N 1 1 320.864 4.432 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1Br)CC(C)C ZINC001137639937 1045913142 /nfs/dbraw/zinc/91/31/42/1045913142.db2.gz OQOIPTBESOXAPU-UHFFFAOYSA-N 1 1 309.251 4.189 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137637927 1045914374 /nfs/dbraw/zinc/91/43/74/1045914374.db2.gz FNXCAMSWUOHRAM-AWEZNQCLSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)cc(C)c1O ZINC000754720781 1045917583 /nfs/dbraw/zinc/91/75/83/1045917583.db2.gz PPOXHTGTUSCSCH-UHFFFAOYSA-N 1 1 306.409 4.069 20 30 DIEDMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)c(C#N)c1 ZINC001137698156 1045937615 /nfs/dbraw/zinc/93/76/15/1045937615.db2.gz MBXKUWMXVNCNIN-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccccc2)c(C#N)c1 ZINC001137698156 1045937627 /nfs/dbraw/zinc/93/76/27/1045937627.db2.gz MBXKUWMXVNCNIN-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001137699594 1045938669 /nfs/dbraw/zinc/93/86/69/1045938669.db2.gz MTAZJEMOLLYQLB-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC001137699594 1045938674 /nfs/dbraw/zinc/93/86/74/1045938674.db2.gz MTAZJEMOLLYQLB-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3ccc(Cl)cc13)CC2 ZINC001137708272 1045940749 /nfs/dbraw/zinc/94/07/49/1045940749.db2.gz NYSNONKUGIOBEP-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)CC2 ZINC001137708272 1045940759 /nfs/dbraw/zinc/94/07/59/1045940759.db2.gz NYSNONKUGIOBEP-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO C=CC[N@H+](Cc1cccc(F)c1Br)C(C)(C)C ZINC001137723767 1045946661 /nfs/dbraw/zinc/94/66/61/1045946661.db2.gz IHESJGXDYVTYIF-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(F)c1Br)C(C)(C)C ZINC001137723767 1045946669 /nfs/dbraw/zinc/94/66/69/1045946669.db2.gz IHESJGXDYVTYIF-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788943 1046007886 /nfs/dbraw/zinc/00/78/86/1046007886.db2.gz KESPAKZQKKRCNH-SJORKVTESA-N 1 1 323.440 4.150 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000802657375 1046026400 /nfs/dbraw/zinc/02/64/00/1046026400.db2.gz ZFQNZXNTIPFUGG-JXFKEZNVSA-N 1 1 324.399 4.048 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000802657389 1046027985 /nfs/dbraw/zinc/02/79/85/1046027985.db2.gz ZFQNZXNTIPFUGG-UZLBHIALSA-N 1 1 324.399 4.048 20 30 DIEDMO CC[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453354587 1046055422 /nfs/dbraw/zinc/05/54/22/1046055422.db2.gz JZRGAHQPKJQVQW-QZTJIDSGSA-N 1 1 300.471 4.228 20 30 DIEDMO COc1cccc(N=NC(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000779766376 1046059263 /nfs/dbraw/zinc/05/92/63/1046059263.db2.gz FHQOYCUBFNPERB-SFHVURJKSA-N 1 1 323.440 4.005 20 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/nfs/dbraw/zinc/08/97/99/1046089799.db2.gz UHFXYOLQGPSILF-VIFPVBQESA-N 1 1 315.232 4.229 20 30 DIEDMO Fc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001138092702 1046089814 /nfs/dbraw/zinc/08/98/14/1046089814.db2.gz UHFXYOLQGPSILF-VIFPVBQESA-N 1 1 315.232 4.229 20 30 DIEDMO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cc(F)ccc1F ZINC000902870355 1046096636 /nfs/dbraw/zinc/09/66/36/1046096636.db2.gz CKABLSNBZLJBRE-BZNIZROVSA-N 1 1 301.340 4.033 20 30 DIEDMO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CCC1 ZINC000903035420 1046144622 /nfs/dbraw/zinc/14/46/22/1046144622.db2.gz OXJZLERMPBVCAC-IBGZPJMESA-N 1 1 305.425 4.039 20 30 DIEDMO C#CC[N@H+](Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000756912304 1046150911 /nfs/dbraw/zinc/15/09/11/1046150911.db2.gz PRSIJDJSCMHIJY-UHFFFAOYSA-N 1 1 302.468 4.249 20 30 DIEDMO C#CC[N@@H+](Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000756912304 1046150918 /nfs/dbraw/zinc/15/09/18/1046150918.db2.gz PRSIJDJSCMHIJY-UHFFFAOYSA-N 1 1 302.468 4.249 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccccc1 ZINC000756997872 1046159187 /nfs/dbraw/zinc/15/91/87/1046159187.db2.gz PDKBHYLMSQVAEP-QGZVFWFLSA-N 1 1 319.433 4.059 20 30 DIEDMO C=CCCC[C@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000903087795 1046161764 /nfs/dbraw/zinc/16/17/64/1046161764.db2.gz IXEXDIKFFAMATK-AEFFLSMTSA-N 1 1 312.461 4.436 20 30 DIEDMO CSC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000903100227 1046163683 /nfs/dbraw/zinc/16/36/83/1046163683.db2.gz KSQPNARFJVPDTK-ZDUSSCGKSA-N 1 1 316.392 4.249 20 30 DIEDMO N#CC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCCC1 ZINC000903108373 1046165357 /nfs/dbraw/zinc/16/53/57/1046165357.db2.gz AXLHCDBLWHYHRQ-OAHLLOKOSA-N 1 1 323.362 4.151 20 30 DIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)ccc1OC(F)F ZINC000903108276 1046165697 /nfs/dbraw/zinc/16/56/97/1046165697.db2.gz QIWJPTVNJNQPPY-GFCCVEGCSA-N 1 1 324.371 4.031 20 30 DIEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)ccc1OC(F)F ZINC000903108277 1046165794 /nfs/dbraw/zinc/16/57/94/1046165794.db2.gz QIWJPTVNJNQPPY-LBPRGKRZSA-N 1 1 324.371 4.031 20 30 DIEDMO N#CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)CCCC1 ZINC000903108598 1046166172 /nfs/dbraw/zinc/16/61/72/1046166172.db2.gz FBGXHSRCZZYEDN-FQEVSTJZSA-N 1 1 319.452 4.429 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000903106063 1046166185 /nfs/dbraw/zinc/16/61/85/1046166185.db2.gz MBIZJAXBHDOOHF-AWEZNQCLSA-N 1 1 309.438 4.081 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000903106943 1046166379 /nfs/dbraw/zinc/16/63/79/1046166379.db2.gz YZXONIUUZFRZKS-LLVKDONJSA-N 1 1 314.376 4.295 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1 ZINC000903178574 1046184627 /nfs/dbraw/zinc/18/46/27/1046184627.db2.gz XCMXQZWPHKEGTB-HNNXBMFYSA-N 1 1 316.836 4.133 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC001138504227 1046203436 /nfs/dbraw/zinc/20/34/36/1046203436.db2.gz CKXGIJTWUPFSAD-UHFFFAOYSA-N 1 1 311.473 4.336 20 30 DIEDMO CCc1cccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1O ZINC001204697202 1046205758 /nfs/dbraw/zinc/20/57/58/1046205758.db2.gz MJFALTXZTCGRSU-UHFFFAOYSA-N 1 1 322.452 4.484 20 30 DIEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198172 1046222194 /nfs/dbraw/zinc/22/21/94/1046222194.db2.gz SNWFUEGRJUMSTA-OXJNMPFZSA-N 1 1 320.436 4.225 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)cc1 ZINC001138559052 1046226909 /nfs/dbraw/zinc/22/69/09/1046226909.db2.gz NHAWVTNZXFZYRS-FQEVSTJZSA-N 1 1 321.420 4.044 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000831938096 1046227687 /nfs/dbraw/zinc/22/76/87/1046227687.db2.gz YEHLUIJWCXNMEH-DLBZAZTESA-N 1 1 308.510 4.140 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000245501465 1046237646 /nfs/dbraw/zinc/23/76/46/1046237646.db2.gz CUPVYCVUQOETOP-JKSUJKDBSA-N 1 1 324.424 4.179 20 30 DIEDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245501070 1046238544 /nfs/dbraw/zinc/23/85/44/1046238544.db2.gz BUFVOSNBQIQXPK-LSDHHAIUSA-N 1 1 312.388 4.310 20 30 DIEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000163365785 1046239397 /nfs/dbraw/zinc/23/93/97/1046239397.db2.gz QIAJUOHEPCCCME-LBPRGKRZSA-N 1 1 316.626 4.005 20 30 DIEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000245512510 1046240079 /nfs/dbraw/zinc/24/00/79/1046240079.db2.gz AARVPASWQYZVNT-JKSUJKDBSA-N 1 1 324.424 4.266 20 30 DIEDMO Brc1cnn([NH+]=C2CCC(c3ccccc3)CC2)c1 ZINC000752748169 1046243906 /nfs/dbraw/zinc/24/39/06/1046243906.db2.gz SVWMZQCSPYIZMN-UHFFFAOYSA-N 1 1 318.218 4.208 20 30 DIEDMO CC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1ccc(N)cc1C ZINC000758097368 1046245932 /nfs/dbraw/zinc/24/59/32/1046245932.db2.gz CHWGERWTENHWSB-UHFFFAOYSA-N 1 1 323.318 4.312 20 30 DIEDMO CC(=[NH+]NCc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1C ZINC000758106269 1046246627 /nfs/dbraw/zinc/24/66/27/1046246627.db2.gz GOLOEONVLZMDER-UHFFFAOYSA-N 1 1 321.346 4.110 20 30 DIEDMO C#CC[N@H+](Cc1cccc(CC=C)c1O)[C@@H]1CCc2ccccc21 ZINC001138628683 1046246928 /nfs/dbraw/zinc/24/69/28/1046246928.db2.gz ZMNLJZRKRSPRLF-OAQYLSRUSA-N 1 1 317.432 4.243 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1O ZINC001138628815 1046247709 /nfs/dbraw/zinc/24/77/09/1046247709.db2.gz FXRWYZCQJZCKDQ-FQEVSTJZSA-N 1 1 323.436 4.164 20 30 DIEDMO CC(=[NH+]Nc1ccc(C(F)(F)F)cc1)c1ccc(N)cc1C ZINC000758116851 1046248464 /nfs/dbraw/zinc/24/84/64/1046248464.db2.gz BRGYUPNEQTZKQN-UHFFFAOYSA-N 1 1 307.319 4.432 20 30 DIEDMO C=CCc1cccc(C[N@@H+](CC)Cc2cccc(F)c2F)c1O ZINC001138630415 1046250507 /nfs/dbraw/zinc/25/05/07/1046250507.db2.gz WFVLWYNJTHFWRB-UHFFFAOYSA-N 1 1 317.379 4.421 20 30 DIEDMO C[N@@H+](Cc1cccn1-c1ccccc1F)Cc1ccc(C#N)cc1 ZINC001138634753 1046253344 /nfs/dbraw/zinc/25/33/44/1046253344.db2.gz WBTFZPMIDMNAMT-UHFFFAOYSA-N 1 1 319.383 4.120 20 30 DIEDMO CCn1nc(C)c(C[N@H+](CCC#N)C2CCCCCCC2)c1C ZINC001138644308 1046255394 /nfs/dbraw/zinc/25/53/94/1046255394.db2.gz 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C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755221 1046888088 /nfs/dbraw/zinc/88/80/88/1046888088.db2.gz VSUKOVQZPXGOPT-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000614963243 1046892297 /nfs/dbraw/zinc/89/22/97/1046892297.db2.gz ZCAGDYBSVFDZDP-DNVCBOLYSA-N 1 1 308.450 4.409 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3CCc4ccccc43)CC2)cc1 ZINC000614963412 1046892554 /nfs/dbraw/zinc/89/25/54/1046892554.db2.gz CEVRYTKVNWREIC-OAQYLSRUSA-N 1 1 300.405 4.335 20 30 DIEDMO N#CCC[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)CC1CC1 ZINC000303205706 1046893315 /nfs/dbraw/zinc/89/33/15/1046893315.db2.gz NBBJKTNYEWUORU-UHFFFAOYSA-N 1 1 324.424 4.143 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001140781957 1046896412 /nfs/dbraw/zinc/89/64/12/1046896412.db2.gz WHUXUKDOUIFICP-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140812789 1046910411 /nfs/dbraw/zinc/91/04/11/1046910411.db2.gz KZVZWARMTLZTBH-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140812789 1046910427 /nfs/dbraw/zinc/91/04/27/1046910427.db2.gz KZVZWARMTLZTBH-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CCC[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140813000 1046913085 /nfs/dbraw/zinc/91/30/85/1046913085.db2.gz RVQZJASZUBUJBN-UHFFFAOYSA-N 1 1 313.832 4.061 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796333395 1046925553 /nfs/dbraw/zinc/92/55/53/1046925553.db2.gz KOICCJWAFCUVCS-GJZGRUSLSA-N 1 1 309.416 4.230 20 30 DIEDMO CCCCCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000152514229 1046936127 /nfs/dbraw/zinc/93/61/27/1046936127.db2.gz UDRSCRVEYGXNGN-UHFFFAOYSA-N 1 1 312.413 4.319 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000303665896 1046940243 /nfs/dbraw/zinc/94/02/43/1046940243.db2.gz FGVGSTBDDRXCPI-DNVCBOLYSA-N 1 1 308.450 4.237 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000303703358 1046947488 /nfs/dbraw/zinc/94/74/88/1046947488.db2.gz BJASOHREXVNNOQ-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1cnco1)Cc1ccc(C#N)cc1 ZINC001140933664 1046952956 /nfs/dbraw/zinc/95/29/56/1046952956.db2.gz CIUSIBUQOMOMJJ-MRXNPFEDSA-N 1 1 317.392 4.310 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cnco1)Cc1ccc(C#N)cc1 ZINC001140933664 1046952968 /nfs/dbraw/zinc/95/29/68/1046952968.db2.gz CIUSIBUQOMOMJJ-MRXNPFEDSA-N 1 1 317.392 4.310 20 30 DIEDMO CCC[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141111952 1047018437 /nfs/dbraw/zinc/01/84/37/1047018437.db2.gz JOISYVABEHJLIW-UHFFFAOYSA-N 1 1 319.861 4.268 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1Cl ZINC001141112962 1047018474 /nfs/dbraw/zinc/01/84/74/1047018474.db2.gz RGEDPAPQYQIEBK-CYBMUJFWSA-N 1 1 323.893 4.400 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141118569 1047021279 /nfs/dbraw/zinc/02/12/79/1047021279.db2.gz FDOWNDJHMZTHJS-UHFFFAOYSA-N 1 1 311.404 4.403 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141118569 1047021293 /nfs/dbraw/zinc/02/12/93/1047021293.db2.gz FDOWNDJHMZTHJS-UHFFFAOYSA-N 1 1 311.404 4.403 20 30 DIEDMO COc1ccccc1C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141166491 1047033560 /nfs/dbraw/zinc/03/35/60/1047033560.db2.gz RESIRMFKLYCZPT-UHFFFAOYSA-N 1 1 324.399 4.086 20 30 DIEDMO Cc1cccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)c1C ZINC001141167623 1047033591 /nfs/dbraw/zinc/03/35/91/1047033591.db2.gz SEWISOGDIJZZBN-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO Cc1cccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)c1C ZINC001141167623 1047033604 /nfs/dbraw/zinc/03/36/04/1047033604.db2.gz SEWISOGDIJZZBN-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001141166942 1047033883 /nfs/dbraw/zinc/03/38/83/1047033883.db2.gz QDMCRDZBJHESCA-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001141166942 1047033900 /nfs/dbraw/zinc/03/39/00/1047033900.db2.gz QDMCRDZBJHESCA-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001141166941 1047034708 /nfs/dbraw/zinc/03/47/08/1047034708.db2.gz QDMCRDZBJHESCA-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001141166941 1047034725 /nfs/dbraw/zinc/03/47/25/1047034725.db2.gz QDMCRDZBJHESCA-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)c(F)c1 ZINC001141196462 1047039667 /nfs/dbraw/zinc/03/96/67/1047039667.db2.gz QHKCABYBCNYZRW-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@@H+](CCSCc1cc(F)ccc1C#N)Cc1ccccc1 ZINC000433038267 1047046866 /nfs/dbraw/zinc/04/68/66/1047046866.db2.gz GFWROLOTMGVIHU-UHFFFAOYSA-N 1 1 314.429 4.063 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1C ZINC000536664065 1047057115 /nfs/dbraw/zinc/05/71/15/1047057115.db2.gz DBQLCWIQWKQBGO-UXHICEINSA-N 1 1 320.436 4.275 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccc(F)c1 ZINC000536666295 1047057319 /nfs/dbraw/zinc/05/73/19/1047057319.db2.gz LPSFSKLJCYOQIS-SJCJKPOMSA-N 1 1 300.402 4.342 20 30 DIEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000536669099 1047061291 /nfs/dbraw/zinc/06/12/91/1047061291.db2.gz OMAPGILWRIVKIF-LJQANCHMSA-N 1 1 300.446 4.380 20 30 DIEDMO C=CCCC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000536680249 1047069665 /nfs/dbraw/zinc/06/96/65/1047069665.db2.gz HZUGOMDFMGMYLC-UHFFFAOYSA-N 1 1 319.399 4.165 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]3CF)cc2)cc1 ZINC001141297854 1047080203 /nfs/dbraw/zinc/08/02/03/1047080203.db2.gz CXCWCKNYAMYSEA-QGZVFWFLSA-N 1 1 310.372 4.284 20 30 DIEDMO C[C@]1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1(Cl)Cl ZINC000827520598 1047108572 /nfs/dbraw/zinc/10/85/72/1047108572.db2.gz GZAHCEHVBCJPTP-OAHLLOKOSA-N 1 1 309.240 4.107 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2ccc(C(C)(C)C#N)nc2)cc1 ZINC001212968908 1047116400 /nfs/dbraw/zinc/11/64/00/1047116400.db2.gz BJJDIUSQGLSNQS-UHFFFAOYSA-N 1 1 308.429 4.473 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000536984535 1047126706 /nfs/dbraw/zinc/12/67/06/1047126706.db2.gz GSIAGKBOALJIQE-JKIFEVAISA-N 1 1 317.864 4.053 20 30 DIEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000536995558 1047128041 /nfs/dbraw/zinc/12/80/41/1047128041.db2.gz SSMOYHZWVWQIRX-GOSISDBHSA-N 1 1 315.505 4.365 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000537039361 1047131704 /nfs/dbraw/zinc/13/17/04/1047131704.db2.gz OMEGAMVWHJTEDH-QGZVFWFLSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000537039361 1047131710 /nfs/dbraw/zinc/13/17/10/1047131710.db2.gz OMEGAMVWHJTEDH-QGZVFWFLSA-N 1 1 310.372 4.043 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+]([C@@H]3CCc4c3cccc4F)CC2)cc1 ZINC001116436242 1047139863 /nfs/dbraw/zinc/13/98/63/1047139863.db2.gz FTFXCZYWHQOIML-OAQYLSRUSA-N 1 1 318.395 4.474 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cccc(Cl)c3nc2Cl)C1 ZINC001141550244 1047179238 /nfs/dbraw/zinc/17/92/38/1047179238.db2.gz SAVFUPHIEZBVNP-LBPRGKRZSA-N 1 1 319.235 4.387 20 30 DIEDMO CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433302372 1047183777 /nfs/dbraw/zinc/18/37/77/1047183777.db2.gz XOKLDDJQSYPAJL-AWEZNQCLSA-N 1 1 309.251 4.382 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839170412 1047203139 /nfs/dbraw/zinc/20/31/39/1047203139.db2.gz MFKYVVDDWIDELX-LEWJYISDSA-N 1 1 320.436 4.357 20 30 DIEDMO N#CCC[N@H+](Cc1c[nH]c2cc(Cl)ccc12)C1CCCC1 ZINC001141583887 1047203712 /nfs/dbraw/zinc/20/37/12/1047203712.db2.gz WQIGJHQZCDSFCI-UHFFFAOYSA-N 1 1 301.821 4.480 20 30 DIEDMO CC(C)(C)c1coc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000897589433 1047212606 /nfs/dbraw/zinc/21/26/06/1047212606.db2.gz YAEXLFVOXNAKDL-UHFFFAOYSA-N 1 1 323.440 4.223 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@H]2CCC(C)C)c1=S ZINC000760406431 1047229608 /nfs/dbraw/zinc/22/96/08/1047229608.db2.gz FAYBWOFLELAKMS-INIZCTEOSA-N 1 1 322.522 4.157 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@H]2CCC(C)C)c1=S ZINC000760406431 1047229620 /nfs/dbraw/zinc/22/96/20/1047229620.db2.gz FAYBWOFLELAKMS-INIZCTEOSA-N 1 1 322.522 4.157 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC001141662655 1047254724 /nfs/dbraw/zinc/25/47/24/1047254724.db2.gz WEIBNHSNGUHISH-UHFFFAOYSA-N 1 1 307.235 4.109 20 30 DIEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC001141740294 1047282857 /nfs/dbraw/zinc/28/28/57/1047282857.db2.gz XZKWWZZDZCUMTB-MRXNPFEDSA-N 1 1 302.421 4.383 20 30 DIEDMO C[C@]1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1(Cl)Cl ZINC000827950901 1047283577 /nfs/dbraw/zinc/28/35/77/1047283577.db2.gz ZUHVTSMDFHCLDV-OWCLPIDISA-N 1 1 323.267 4.342 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1(Cl)Cl ZINC000827950901 1047283598 /nfs/dbraw/zinc/28/35/98/1047283598.db2.gz ZUHVTSMDFHCLDV-OWCLPIDISA-N 1 1 323.267 4.342 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+](Cc1cccs1)Cc1ccncc1 ZINC000897925367 1047299170 /nfs/dbraw/zinc/29/91/70/1047299170.db2.gz LFNJGTSCURCTSR-UHFFFAOYSA-N 1 1 313.470 4.475 20 30 DIEDMO N#Cc1ccc(Br)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001141897611 1047305931 /nfs/dbraw/zinc/30/59/31/1047305931.db2.gz XWTSKWLDNWSGEI-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(Br)ccc1C#N ZINC001141894468 1047306097 /nfs/dbraw/zinc/30/60/97/1047306097.db2.gz LTTWPVBYEGJTTI-VXGBXAGGSA-N 1 1 307.235 4.084 20 30 DIEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141941247 1047313752 /nfs/dbraw/zinc/31/37/52/1047313752.db2.gz AZXPQNLDERMIEH-QGZVFWFLSA-N 1 1 311.454 4.258 20 30 DIEDMO COc1cccc(N[NH+]=CC=C2N(C)c3ccccc3C2(C)C)c1 ZINC000725853306 1047321835 /nfs/dbraw/zinc/32/18/35/1047321835.db2.gz IVRABEISWCACMQ-KQDOTXDFSA-N 1 1 321.424 4.404 20 30 DIEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000726232653 1047341654 /nfs/dbraw/zinc/34/16/54/1047341654.db2.gz VPVAWMJRCSAMIO-MRXNPFEDSA-N 1 1 323.864 4.243 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C1 ZINC001142044698 1047359683 /nfs/dbraw/zinc/35/96/83/1047359683.db2.gz REGUPOGZWANRON-NSHDSACASA-N 1 1 320.770 4.012 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C1 ZINC001142044698 1047359688 /nfs/dbraw/zinc/35/96/88/1047359688.db2.gz REGUPOGZWANRON-NSHDSACASA-N 1 1 320.770 4.012 20 30 DIEDMO CCOc1ccc(Cl)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001139010727 1047360790 /nfs/dbraw/zinc/36/07/90/1047360790.db2.gz ABAHVGSRCFLDHR-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CCOc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001139010727 1047360801 /nfs/dbraw/zinc/36/08/01/1047360801.db2.gz ABAHVGSRCFLDHR-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000726597280 1047367370 /nfs/dbraw/zinc/36/73/70/1047367370.db2.gz FDBUEGWGJVNERL-MRXNPFEDSA-N 1 1 321.262 4.150 20 30 DIEDMO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000612404381 1047423693 /nfs/dbraw/zinc/42/36/93/1047423693.db2.gz SHBJNRVHJINLES-KRWDZBQOSA-N 1 1 308.372 4.031 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000612404381 1047423708 /nfs/dbraw/zinc/42/37/08/1047423708.db2.gz SHBJNRVHJINLES-KRWDZBQOSA-N 1 1 308.372 4.031 20 30 DIEDMO C=C(C)CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC001168316780 1047425302 /nfs/dbraw/zinc/42/53/02/1047425302.db2.gz GXCDZYQNWPYLAH-UHFFFAOYSA-N 1 1 300.265 4.441 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CCCSCC#N)cc1 ZINC000080629414 1047427336 /nfs/dbraw/zinc/42/73/36/1047427336.db2.gz OSPZTIULRDMNTI-ZWKOTPCHSA-N 1 1 302.487 4.210 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)c1 ZINC000537615725 1047455799 /nfs/dbraw/zinc/45/57/99/1047455799.db2.gz BZKSDZJAHAMYDD-SFHVURJKSA-N 1 1 323.436 4.250 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@H]1c1cccc(F)c1 ZINC000537619341 1047459316 /nfs/dbraw/zinc/45/93/16/1047459316.db2.gz BSBFWAYGFNGXPZ-SJKOYZFVSA-N 1 1 300.402 4.342 20 30 DIEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142922508 1047514877 /nfs/dbraw/zinc/51/48/77/1047514877.db2.gz KNYFKASWCQFPTD-SFHVURJKSA-N 1 1 315.420 4.419 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1F ZINC001142922345 1047515010 /nfs/dbraw/zinc/51/50/10/1047515010.db2.gz DMRFKZVFZJCOIZ-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(OC)c1 ZINC001142922773 1047515170 /nfs/dbraw/zinc/51/51/70/1047515170.db2.gz UZZQRCLGBSNPCY-UHFFFAOYSA-N 1 1 319.408 4.070 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1cnc2ccc(Cl)nn12 ZINC001142991053 1047522963 /nfs/dbraw/zinc/52/29/63/1047522963.db2.gz DSSBMLBUDVXKOH-UHFFFAOYSA-N 1 1 308.857 4.175 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000092586143 1047536739 /nfs/dbraw/zinc/53/67/39/1047536739.db2.gz HMNBGRGUNKDCKS-KRWDZBQOSA-N 1 1 322.456 4.086 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1F ZINC001143173709 1047537805 /nfs/dbraw/zinc/53/78/05/1047537805.db2.gz DAKHQHBZYYKJKZ-OAHLLOKOSA-N 1 1 304.384 4.239 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788462 1047539505 /nfs/dbraw/zinc/53/95/05/1047539505.db2.gz AKDYZMIPXAXMHT-MRXNPFEDSA-N 1 1 314.454 4.088 20 30 DIEDMO CCO[C@H](C)c1nc(C[N@H+](C)CC(C)(C)CCC#N)cs1 ZINC000093737652 1047550998 /nfs/dbraw/zinc/55/09/98/1047550998.db2.gz XNDDQMVVIQDAQF-CYBMUJFWSA-N 1 1 309.479 4.002 20 30 DIEDMO CCO[C@H](C)c1nc(C[N@@H+](C)CC(C)(C)CCC#N)cs1 ZINC000093737652 1047551003 /nfs/dbraw/zinc/55/10/03/1047551003.db2.gz XNDDQMVVIQDAQF-CYBMUJFWSA-N 1 1 309.479 4.002 20 30 DIEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093844887 1047552750 /nfs/dbraw/zinc/55/27/50/1047552750.db2.gz SOHFEUMQKXMRLH-QGZVFWFLSA-N 1 1 324.472 4.332 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001154997078 1047664254 /nfs/dbraw/zinc/66/42/54/1047664254.db2.gz YUCLRACWLZZMMC-KRWDZBQOSA-N 1 1 312.461 4.124 20 30 DIEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000538394293 1047674407 /nfs/dbraw/zinc/67/44/07/1047674407.db2.gz VFXAHIVUCZYUTN-VDGAXYAQSA-N 1 1 313.489 4.109 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(NC2=CC(=O)CCC2)nc1 ZINC001155709579 1047687293 /nfs/dbraw/zinc/68/72/93/1047687293.db2.gz PYOBJXRJNVAXSD-SFHVURJKSA-N 1 1 313.445 4.067 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000538731431 1047703918 /nfs/dbraw/zinc/70/39/18/1047703918.db2.gz KIEOOKIFODNXLZ-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000538725628 1047706618 /nfs/dbraw/zinc/70/66/18/1047706618.db2.gz MFIOXQMWQGDRCM-HXUWFJFHSA-N 1 1 308.425 4.292 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000538752459 1047709120 /nfs/dbraw/zinc/70/91/20/1047709120.db2.gz MPNMFVYHRFEWEQ-CHWSQXEVSA-N 1 1 302.805 4.429 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000538823953 1047715350 /nfs/dbraw/zinc/71/53/50/1047715350.db2.gz UNMHYZHQNABALJ-FGZHOGPDSA-N 1 1 314.432 4.451 20 30 DIEDMO COc1ccc2c[nH+]c(N[C@@H](C)c3cccc(C#N)c3)cc2c1 ZINC001156873070 1047725794 /nfs/dbraw/zinc/72/57/94/1047725794.db2.gz AKJBBSUNZLPYRA-ZDUSSCGKSA-N 1 1 303.365 4.288 20 30 DIEDMO COc1cc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c2ccccc21 ZINC001156873479 1047725943 /nfs/dbraw/zinc/72/59/43/1047725943.db2.gz MKCCPBMWXZQPEG-ZDUSSCGKSA-N 1 1 303.365 4.288 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1 ZINC001157055364 1047734077 /nfs/dbraw/zinc/73/40/77/1047734077.db2.gz UPZCTKNBCWWRNJ-SZMVWBNQSA-N 1 1 312.461 4.123 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000539240957 1047744093 /nfs/dbraw/zinc/74/40/93/1047744093.db2.gz PGFCOJQEMXBRJA-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO Cc1ccc(CC#N)c(NCCc2ccc3ccccc3c2)[nH+]1 ZINC001157910806 1047763310 /nfs/dbraw/zinc/76/33/10/1047763310.db2.gz RFXZKMAGXITVPV-UHFFFAOYSA-N 1 1 301.393 4.264 20 30 DIEDMO Cc1ccc(CC#N)c(N(Cc2cccc(C)c2C)C2CC2)[nH+]1 ZINC001158041529 1047768701 /nfs/dbraw/zinc/76/87/01/1047768701.db2.gz KKCANVNQSGUZLE-UHFFFAOYSA-N 1 1 305.425 4.242 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC001158609764 1047791440 /nfs/dbraw/zinc/79/14/40/1047791440.db2.gz DJGNJELNMPPPBD-LJQANCHMSA-N 1 1 312.457 4.455 20 30 DIEDMO COc1ccc2[nH+]c(NCc3ccc(C#N)c(F)c3)cc(C)c2c1 ZINC001159084078 1047811616 /nfs/dbraw/zinc/81/16/16/1047811616.db2.gz BQXXRPJHMNCWHM-UHFFFAOYSA-N 1 1 321.355 4.175 20 30 DIEDMO C=CCOc1cccc(C[NH2+]Cc2cc(-c3ccccc3)on2)c1 ZINC000553378837 1047842985 /nfs/dbraw/zinc/84/29/85/1047842985.db2.gz BFPZVCSAWXMHDO-UHFFFAOYSA-N 1 1 320.392 4.196 20 30 DIEDMO CCCCCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001197622480 1047850202 /nfs/dbraw/zinc/85/02/02/1047850202.db2.gz WSEDKYXJMMBRDR-DLBZAZTESA-N 1 1 309.494 4.257 20 30 DIEDMO Cc1ccc(C[N@@H+](CCCC(C)C)Cc2cc(C#N)ccn2)o1 ZINC001197778581 1047879445 /nfs/dbraw/zinc/87/94/45/1047879445.db2.gz XKMPOYYJOQWYEK-UHFFFAOYSA-N 1 1 311.429 4.293 20 30 DIEDMO Cc1ccc(C[N@H+](CCCC(C)C)Cc2cc(C#N)ccn2)o1 ZINC001197778581 1047879461 /nfs/dbraw/zinc/87/94/61/1047879461.db2.gz XKMPOYYJOQWYEK-UHFFFAOYSA-N 1 1 311.429 4.293 20 30 DIEDMO C=CC[N@@H+](C[C@H](O)c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC001174641532 1047919324 /nfs/dbraw/zinc/91/93/24/1047919324.db2.gz KSEMIQDSMHPLAQ-AWEZNQCLSA-N 1 1 301.352 4.025 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cccnc2C)no1 ZINC001205831678 1047940903 /nfs/dbraw/zinc/94/09/03/1047940903.db2.gz NTDGXPJNTHXEFV-HNNXBMFYSA-N 1 1 302.422 4.190 20 30 DIEDMO C=CC[N@H+](Cc1cc(COC)cs1)Cc1ccc(OC)cc1 ZINC000667535031 1047950306 /nfs/dbraw/zinc/95/03/06/1047950306.db2.gz VSTDYBILBNWEOQ-UHFFFAOYSA-N 1 1 317.454 4.091 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](CCC)CC(C)C ZINC000553832855 1047952410 /nfs/dbraw/zinc/95/24/10/1047952410.db2.gz UEIIMNOECYZFDA-UHFFFAOYSA-N 1 1 320.502 4.271 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001174742692 1047961247 /nfs/dbraw/zinc/96/12/47/1047961247.db2.gz QOZZSUMLFBQNNA-MRXNPFEDSA-N 1 1 324.424 4.314 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001174742692 1047961255 /nfs/dbraw/zinc/96/12/55/1047961255.db2.gz QOZZSUMLFBQNNA-MRXNPFEDSA-N 1 1 324.424 4.314 20 30 DIEDMO C#C[C@H]1CCCC[N@@H+]1CC/C=C/c1ccc(Br)cc1 ZINC001198525484 1047968751 /nfs/dbraw/zinc/96/87/51/1047968751.db2.gz MQEGKAVXARDOHP-GALSZHCDSA-N 1 1 318.258 4.340 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000774687357 1047970004 /nfs/dbraw/zinc/97/00/04/1047970004.db2.gz NQHUXIXBIBUSJA-ULQDDVLXSA-N 1 1 324.509 4.356 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000553980913 1047976346 /nfs/dbraw/zinc/97/63/46/1047976346.db2.gz PVXIGTROHBVVBA-MRXNPFEDSA-N 1 1 315.420 4.480 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000553980913 1047976357 /nfs/dbraw/zinc/97/63/57/1047976357.db2.gz PVXIGTROHBVVBA-MRXNPFEDSA-N 1 1 315.420 4.480 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]c(C)ccc1CC#N ZINC001160182679 1047991335 /nfs/dbraw/zinc/99/13/35/1047991335.db2.gz JWZJYPQUWKNZFB-HNNXBMFYSA-N 1 1 307.397 4.194 20 30 DIEDMO C=CCCC[N@H+](CC)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001184188110 1048005249 /nfs/dbraw/zinc/00/52/49/1048005249.db2.gz KAIFFGYKSKAYTA-LJQANCHMSA-N 1 1 324.509 4.312 20 30 DIEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000773427232 1048030096 /nfs/dbraw/zinc/03/00/96/1048030096.db2.gz GGHVFKRNXUMJIP-SFHVURJKSA-N 1 1 301.455 4.250 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263501 1048051384 /nfs/dbraw/zinc/05/13/84/1048051384.db2.gz HIXHWVMYUNDNJI-DNVCBOLYSA-N 1 1 310.828 4.170 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263501 1048051397 /nfs/dbraw/zinc/05/13/97/1048051397.db2.gz HIXHWVMYUNDNJI-DNVCBOLYSA-N 1 1 310.828 4.170 20 30 DIEDMO CC(C)C[C@@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)c1ccccn1 ZINC001160485914 1048054429 /nfs/dbraw/zinc/05/44/29/1048054429.db2.gz KATBFOYCCCRHDH-MRXNPFEDSA-N 1 1 305.385 4.029 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000554288230 1048056477 /nfs/dbraw/zinc/05/64/77/1048056477.db2.gz XRZFWBOFEYUDAV-UHFFFAOYSA-N 1 1 319.537 4.437 20 30 DIEDMO CC(C)(C#N)CCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000554288230 1048056490 /nfs/dbraw/zinc/05/64/90/1048056490.db2.gz XRZFWBOFEYUDAV-UHFFFAOYSA-N 1 1 319.537 4.437 20 30 DIEDMO Cc1[nH+]c(N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2ccccc2)ccc1CC#N ZINC001160509659 1048063210 /nfs/dbraw/zinc/06/32/10/1048063210.db2.gz XNRJPSROUOQPLS-IZZBFERCSA-N 1 1 317.436 4.450 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC001185037976 1048122624 /nfs/dbraw/zinc/12/26/24/1048122624.db2.gz YTQPKZKMPZJWSA-WBVHZDCISA-N 1 1 323.415 4.253 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000554589442 1048134978 /nfs/dbraw/zinc/13/49/78/1048134978.db2.gz UEURPZOGXRJGNY-YGRLFVJLSA-N 1 1 308.212 4.014 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001161493756 1048134973 /nfs/dbraw/zinc/13/49/73/1048134973.db2.gz HKVHWLJCMDNIHX-QZTJIDSGSA-N 1 1 322.537 4.458 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ncccc2C)cc1 ZINC001161888731 1048188820 /nfs/dbraw/zinc/18/88/20/1048188820.db2.gz XRHIYVQKQNNONX-FQEVSTJZSA-N 1 1 307.441 4.325 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2C)cc1 ZINC001161888732 1048189514 /nfs/dbraw/zinc/18/95/14/1048189514.db2.gz XRHIYVQKQNNONX-HXUWFJFHSA-N 1 1 307.441 4.325 20 30 DIEDMO Cc1nc([C@H](C)O[NH+]=C(N)C(C)C)oc1-c1ccc(Cl)cc1 ZINC000128433433 1048198331 /nfs/dbraw/zinc/19/83/31/1048198331.db2.gz FYADEBHNDFUQJQ-NSHDSACASA-N 1 1 321.808 4.309 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cnc(C)s2)cc1 ZINC001162163379 1048234547 /nfs/dbraw/zinc/23/45/47/1048234547.db2.gz SPNOJQTZDZAPOM-GOSISDBHSA-N 1 1 313.470 4.387 20 30 DIEDMO C=C(Br)C[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000776155242 1048238618 /nfs/dbraw/zinc/23/86/18/1048238618.db2.gz DIZZQQGAZBVHIA-NSHDSACASA-N 1 1 324.218 4.391 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2CC[C@](C)(O)CC2)cc1 ZINC001162360364 1048268031 /nfs/dbraw/zinc/26/80/31/1048268031.db2.gz JWVBONDDELQYKK-VAMGGRTRSA-N 1 1 314.473 4.115 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H](C)CCC=C(C)C)C2 ZINC001201489158 1048280940 /nfs/dbraw/zinc/28/09/40/1048280940.db2.gz AIPJIGQGRHDXOM-SLFFLAALSA-N 1 1 321.505 4.195 20 30 DIEDMO CC[C@@H](Nc1ccc(CC#N)c(C)[nH+]1)c1ccc(F)c(F)c1 ZINC001162463133 1048284312 /nfs/dbraw/zinc/28/43/12/1048284312.db2.gz OTXSICRGALWHIP-MRXNPFEDSA-N 1 1 301.340 4.298 20 30 DIEDMO C#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001201477638 1048297641 /nfs/dbraw/zinc/29/76/41/1048297641.db2.gz JWAGCWBNYCCCJI-YADHBBJMSA-N 1 1 314.432 4.401 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](CC)CCCC)CC2 ZINC001201564543 1048320084 /nfs/dbraw/zinc/32/00/84/1048320084.db2.gz BSOUXBBGMRFVCF-AZUAARDMSA-N 1 1 320.521 4.236 20 30 DIEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175484442 1048323287 /nfs/dbraw/zinc/32/32/87/1048323287.db2.gz ITTVCRGATSHIBQ-INIZCTEOSA-N 1 1 313.338 4.265 20 30 DIEDMO CCCCCCCCCCCC[N@@H+]1CCn2c(C)nnc2C1 ZINC001201630881 1048328318 /nfs/dbraw/zinc/32/83/18/1048328318.db2.gz GIGYVDTXPQNFOQ-UHFFFAOYSA-N 1 1 306.498 4.323 20 30 DIEDMO CCCCCCCCCCCC[N@H+]1CCn2c(C)nnc2C1 ZINC001201630881 1048328330 /nfs/dbraw/zinc/32/83/30/1048328330.db2.gz GIGYVDTXPQNFOQ-UHFFFAOYSA-N 1 1 306.498 4.323 20 30 DIEDMO Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c(C#N)c1 ZINC001175506274 1048339180 /nfs/dbraw/zinc/33/91/80/1048339180.db2.gz RQGRIGLIYQOLCS-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1 ZINC001201671738 1048339591 /nfs/dbraw/zinc/33/95/91/1048339591.db2.gz MONVXSRNCKXJSN-NRFANRHFSA-N 1 1 320.436 4.034 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(C4CC4)cc3)sc2C1 ZINC001201675261 1048341552 /nfs/dbraw/zinc/34/15/52/1048341552.db2.gz IVUFDENVMHLKEJ-UHFFFAOYSA-N 1 1 309.438 4.229 20 30 DIEDMO Cc1nc(S[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC001186756578 1048341749 /nfs/dbraw/zinc/34/17/49/1048341749.db2.gz CQYHPVHXHHGDGI-SFHVURJKSA-N 1 1 323.465 4.018 20 30 DIEDMO C#Cc1cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC001175506296 1048343623 /nfs/dbraw/zinc/34/36/23/1048343623.db2.gz TUPWETYLIWRUJY-UHFFFAOYSA-N 1 1 306.384 4.009 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cccc(Br)c1OC(F)F ZINC000481287603 1048353350 /nfs/dbraw/zinc/35/33/50/1048353350.db2.gz QPJRHONAMJFNNK-UHFFFAOYSA-N 1 1 320.177 4.058 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000481321822 1048364335 /nfs/dbraw/zinc/36/43/35/1048364335.db2.gz SCAYDAVWWKGZLF-UHFFFAOYSA-N 1 1 312.200 4.051 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000481321822 1048364349 /nfs/dbraw/zinc/36/43/49/1048364349.db2.gz SCAYDAVWWKGZLF-UHFFFAOYSA-N 1 1 312.200 4.051 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC001204157880 1048375556 /nfs/dbraw/zinc/37/55/56/1048375556.db2.gz GOYQTGCDIAIYEF-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001201814586 1048375977 /nfs/dbraw/zinc/37/59/77/1048375977.db2.gz QDTMZOUSROEMPV-GOSISDBHSA-N 1 1 321.509 4.199 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCCCCCCC)CC2 ZINC001201813185 1048376019 /nfs/dbraw/zinc/37/60/19/1048376019.db2.gz BWZSRVYXKADGNB-HXUWFJFHSA-N 1 1 320.521 4.380 20 30 DIEDMO CCCCCCCC[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001201815197 1048376152 /nfs/dbraw/zinc/37/61/52/1048376152.db2.gz YXQXEPJYQNIOQT-UHFFFAOYSA-N 1 1 301.478 4.115 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2cccnc21 ZINC000481345067 1048376767 /nfs/dbraw/zinc/37/67/67/1048376767.db2.gz MIDCUNCIAPEVMB-FQEVSTJZSA-N 1 1 319.452 4.489 20 30 DIEDMO CCCCCCCC[N@@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001201813448 1048377632 /nfs/dbraw/zinc/37/76/32/1048377632.db2.gz DLWVNQJWOYZOCF-INIZCTEOSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCC[N@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001201813448 1048377641 /nfs/dbraw/zinc/37/76/41/1048377641.db2.gz DLWVNQJWOYZOCF-INIZCTEOSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001201787891 1048379963 /nfs/dbraw/zinc/37/99/63/1048379963.db2.gz PHAHTJWNILBCMT-MRXNPFEDSA-N 1 1 312.498 4.194 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001201852770 1048382326 /nfs/dbraw/zinc/38/23/26/1048382326.db2.gz KUBWWBBUTIEPMX-OAHLLOKOSA-N 1 1 309.416 4.374 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001201826344 1048383593 /nfs/dbraw/zinc/38/35/93/1048383593.db2.gz SMMDGZQPXRAMGW-RTBURBONSA-N 1 1 309.494 4.007 20 30 DIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCCCCCC)C2 ZINC001201826368 1048384053 /nfs/dbraw/zinc/38/40/53/1048384053.db2.gz TZMPVQCXORTJRZ-MOPGFXCFSA-N 1 1 309.494 4.173 20 30 DIEDMO CCCCCCCCC[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001201840183 1048387531 /nfs/dbraw/zinc/38/75/31/1048387531.db2.gz WMKXMUZXVADSDE-UHFFFAOYSA-N 1 1 321.509 4.376 20 30 DIEDMO CCCCCCCCC[N@H+]1CCc2onc(COCC)c2C1 ZINC001201845949 1048387680 /nfs/dbraw/zinc/38/76/80/1048387680.db2.gz ASHHIFWGAQNXDV-UHFFFAOYSA-N 1 1 308.466 4.320 20 30 DIEDMO CCCCCCCCCCN1CC[NH+](CCCCOC)CC1 ZINC001201874605 1048393724 /nfs/dbraw/zinc/39/37/24/1048393724.db2.gz AGQGADSJQWEOIY-UHFFFAOYSA-N 1 1 312.542 4.171 20 30 DIEDMO CCCCCCC[C@H](C)CNC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001201906210 1048400099 /nfs/dbraw/zinc/40/00/99/1048400099.db2.gz HPLKNAVABATHFN-AWEZNQCLSA-N 1 1 305.466 4.238 20 30 DIEDMO C=C(C)[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000481573919 1048433067 /nfs/dbraw/zinc/43/30/67/1048433067.db2.gz UUILOSFRWBWAMB-QAPCUYQASA-N 1 1 308.416 4.046 20 30 DIEDMO C=C(C)[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000481573918 1048433087 /nfs/dbraw/zinc/43/30/87/1048433087.db2.gz UUILOSFRWBWAMB-MAUKXSAKSA-N 1 1 308.416 4.046 20 30 DIEDMO C[C@H]1c2sccc2CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001175829848 1048457247 /nfs/dbraw/zinc/45/72/47/1048457247.db2.gz IOVBWLGULHFTHS-NSHDSACASA-N 1 1 302.830 4.392 20 30 DIEDMO C[C@H]1c2sccc2CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001175829848 1048457253 /nfs/dbraw/zinc/45/72/53/1048457253.db2.gz IOVBWLGULHFTHS-NSHDSACASA-N 1 1 302.830 4.392 20 30 DIEDMO CCCCCCCCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC001175890697 1048475402 /nfs/dbraw/zinc/47/54/02/1048475402.db2.gz LLPTWIKHWWDWTE-UHFFFAOYSA-N 1 1 307.453 4.470 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001175871004 1048487200 /nfs/dbraw/zinc/48/72/00/1048487200.db2.gz HOMCWXUNRISANV-IRXDYDNUSA-N 1 1 307.865 4.235 20 30 DIEDMO [NH2+]=C(Nc1cc(F)cc2cc[nH]c21)c1ccc(C(F)(F)F)cc1 ZINC001163680732 1048503700 /nfs/dbraw/zinc/50/37/00/1048503700.db2.gz VJBCFEYMTIMANK-UHFFFAOYSA-N 1 1 321.277 4.363 20 30 DIEDMO C=C(Cl)C[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000780725084 1048620062 /nfs/dbraw/zinc/62/00/62/1048620062.db2.gz RDRQLNXVZMAWQQ-UHFFFAOYSA-N 1 1 317.816 4.116 20 30 DIEDMO CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1OC ZINC000160213852 1048650525 /nfs/dbraw/zinc/65/05/25/1048650525.db2.gz WHLWZTFRQVNEJC-OAHLLOKOSA-N 1 1 324.424 4.206 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176454096 1048687608 /nfs/dbraw/zinc/68/76/08/1048687608.db2.gz YSTNLVMIBDTAMV-FQEVSTJZSA-N 1 1 320.392 4.108 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001176454096 1048687613 /nfs/dbraw/zinc/68/76/13/1048687613.db2.gz YSTNLVMIBDTAMV-FQEVSTJZSA-N 1 1 320.392 4.108 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2ccccc21 ZINC001176454116 1048688327 /nfs/dbraw/zinc/68/83/27/1048688327.db2.gz ZDNFDTFNFFILCG-NRFANRHFSA-N 1 1 318.395 4.210 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000160545725 1048709139 /nfs/dbraw/zinc/70/91/39/1048709139.db2.gz AOPQHJAPZREORE-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO C#CCCCCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001190457731 1048741167 /nfs/dbraw/zinc/74/11/67/1048741167.db2.gz QKKKSSOHBYFDKX-UHFFFAOYSA-N 1 1 304.522 4.158 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483173463 1048752132 /nfs/dbraw/zinc/75/21/32/1048752132.db2.gz HBWLDWPYUURIGO-LLVKDONJSA-N 1 1 322.239 4.397 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483173463 1048752144 /nfs/dbraw/zinc/75/21/44/1048752144.db2.gz HBWLDWPYUURIGO-LLVKDONJSA-N 1 1 322.239 4.397 20 30 DIEDMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000483187791 1048754156 /nfs/dbraw/zinc/75/41/56/1048754156.db2.gz VQVYMWNGZDEXRJ-HXUWFJFHSA-N 1 1 323.440 4.023 20 30 DIEDMO CCc1onc(C)c1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190616639 1048758218 /nfs/dbraw/zinc/75/82/18/1048758218.db2.gz ORCVCOPOMPILAX-UHFFFAOYSA-N 1 1 311.429 4.075 20 30 DIEDMO CO[C@@H](CC(C)C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC001190615648 1048759080 /nfs/dbraw/zinc/75/90/80/1048759080.db2.gz GSTJOGVJIJGMLK-IBGZPJMESA-N 1 1 302.462 4.077 20 30 DIEDMO C=CC[N@@H+](CCCN1CCC(Cc2ccccc2)CC1)C(C)C ZINC001190589649 1048762505 /nfs/dbraw/zinc/76/25/05/1048762505.db2.gz RFAGUFDFEHRDOU-UHFFFAOYSA-N 1 1 314.517 4.228 20 30 DIEDMO C=CC[N@H+](CCCN1CCC(Cc2ccccc2)CC1)C(C)C ZINC001190589649 1048762514 /nfs/dbraw/zinc/76/25/14/1048762514.db2.gz RFAGUFDFEHRDOU-UHFFFAOYSA-N 1 1 314.517 4.228 20 30 DIEDMO C=CCN(CCC[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC001190589649 1048762522 /nfs/dbraw/zinc/76/25/22/1048762522.db2.gz RFAGUFDFEHRDOU-UHFFFAOYSA-N 1 1 314.517 4.228 20 30 DIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001190597528 1048763102 /nfs/dbraw/zinc/76/31/02/1048763102.db2.gz NRXBLBAYNVUHNX-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1 ZINC000775399974 1048763362 /nfs/dbraw/zinc/76/33/62/1048763362.db2.gz GKWXQQQZBFIZOS-INIZCTEOSA-N 1 1 308.406 4.257 20 30 DIEDMO C=CC[C@@H](C)[N@@H+](CC)Cc1cc(Br)ccc1F ZINC001190759836 1048780616 /nfs/dbraw/zinc/78/06/16/1048780616.db2.gz FQCGVLGZGXEMJZ-LLVKDONJSA-N 1 1 300.215 4.375 20 30 DIEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001190753208 1048783243 /nfs/dbraw/zinc/78/32/43/1048783243.db2.gz QEFKIZCSBKYVKP-QGZVFWFLSA-N 1 1 314.473 4.422 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1OC ZINC001176771635 1048789068 /nfs/dbraw/zinc/78/90/68/1048789068.db2.gz OTXRMQBMDJPERY-OAHLLOKOSA-N 1 1 324.262 4.388 20 30 DIEDMO FCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC001176813389 1048792694 /nfs/dbraw/zinc/79/26/94/1048792694.db2.gz AGSDAIZSFJOOHV-ZNXRZULTSA-N 1 1 305.824 4.294 20 30 DIEDMO C=CCCC[N@H+](CC)CCc1nc(-c2cccc(Cl)c2)no1 ZINC001176798571 1048793809 /nfs/dbraw/zinc/79/38/09/1048793809.db2.gz SUBMPCCVILONOP-UHFFFAOYSA-N 1 1 319.836 4.221 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160903486 1048796372 /nfs/dbraw/zinc/79/63/72/1048796372.db2.gz MMPMEGCAMHNPIG-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000160903486 1048796384 /nfs/dbraw/zinc/79/63/84/1048796384.db2.gz MMPMEGCAMHNPIG-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC001190884494 1048798270 /nfs/dbraw/zinc/79/82/70/1048798270.db2.gz WFWIVIUKQXYYGH-OAQYLSRUSA-N 1 1 320.436 4.139 20 30 DIEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C(=O)OCC)c1ccccc1 ZINC001190983753 1048810851 /nfs/dbraw/zinc/81/08/51/1048810851.db2.gz GBATXLQGSBSJFJ-IBGZPJMESA-N 1 1 315.457 4.359 20 30 DIEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C(=O)OCC)c1ccccc1 ZINC001190983753 1048810862 /nfs/dbraw/zinc/81/08/62/1048810862.db2.gz GBATXLQGSBSJFJ-IBGZPJMESA-N 1 1 315.457 4.359 20 30 DIEDMO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000483526915 1048815429 /nfs/dbraw/zinc/81/54/29/1048815429.db2.gz AXVVLGPUEHLHJG-SFHVURJKSA-N 1 1 318.445 4.485 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000483526915 1048815448 /nfs/dbraw/zinc/81/54/48/1048815448.db2.gz AXVVLGPUEHLHJG-SFHVURJKSA-N 1 1 318.445 4.485 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483583423 1048820538 /nfs/dbraw/zinc/82/05/38/1048820538.db2.gz MBYHDKNHHPHNEL-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000852100772 1048823666 /nfs/dbraw/zinc/82/36/66/1048823666.db2.gz AUHZMXARERGRLD-QGZVFWFLSA-N 1 1 302.805 4.195 20 30 DIEDMO CCCC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167024519 1048834207 /nfs/dbraw/zinc/83/42/07/1048834207.db2.gz YVSFZFGKZNOTKD-UHFFFAOYSA-N 1 1 311.347 4.201 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)c(C#N)c1 ZINC001167023883 1048834564 /nfs/dbraw/zinc/83/45/64/1048834564.db2.gz MJFYZUAOOSSPHC-UHFFFAOYSA-N 1 1 303.409 4.151 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412223 1048836882 /nfs/dbraw/zinc/83/68/82/1048836882.db2.gz ZQDSMMGTKWDAKO-HZPDHXFCSA-N 1 1 311.429 4.394 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330564 1048837718 /nfs/dbraw/zinc/83/77/18/1048837718.db2.gz RAUMOHTXPCRSLH-XLIONFOSSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330564 1048837736 /nfs/dbraw/zinc/83/77/36/1048837736.db2.gz RAUMOHTXPCRSLH-XLIONFOSSA-N 1 1 305.425 4.008 20 30 DIEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001191068788 1048837839 /nfs/dbraw/zinc/83/78/39/1048837839.db2.gz FJYCZNKFDJITAZ-STQMWFEESA-N 1 1 321.262 4.331 20 30 DIEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001191068786 1048838890 /nfs/dbraw/zinc/83/88/90/1048838890.db2.gz FJYCZNKFDJITAZ-QWHCGFSZSA-N 1 1 321.262 4.331 20 30 DIEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(-c2ccnn2C)c1 ZINC000338945871 1048844708 /nfs/dbraw/zinc/84/47/08/1048844708.db2.gz WYAZJUQVJQEIFC-UHFFFAOYSA-N 1 1 324.472 4.157 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852686421 1048854035 /nfs/dbraw/zinc/85/40/35/1048854035.db2.gz URXDJLUSGAVPRP-OIISXLGYSA-N 1 1 309.413 4.289 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000852685131 1048855058 /nfs/dbraw/zinc/85/50/58/1048855058.db2.gz CBGBHKRGFIRHLL-CALCHBBNSA-N 1 1 309.409 4.093 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000852687933 1048855797 /nfs/dbraw/zinc/85/57/97/1048855797.db2.gz 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C=CC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1N(C)C ZINC001180280824 1049333033 /nfs/dbraw/zinc/33/30/33/1049333033.db2.gz NJWDYICQKGBZGR-UHFFFAOYSA-N 1 1 312.432 4.122 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)Oc1ccccc1 ZINC001180281008 1049334169 /nfs/dbraw/zinc/33/41/69/1049334169.db2.gz SQPIBGIANKNCDZ-UHFFFAOYSA-N 1 1 320.436 4.404 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001194394368 1049368955 /nfs/dbraw/zinc/36/89/55/1049368955.db2.gz UCJCPSKTIZMXHK-FQEVSTJZSA-N 1 1 312.501 4.024 20 30 DIEDMO C[N@H+](Cc1csc(C#N)c1)Cc1ccc(Br)cc1 ZINC001205186414 1049405879 /nfs/dbraw/zinc/40/58/79/1049405879.db2.gz YYGNTSSNBYDNCV-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc(Br)cc1 ZINC001205186414 1049405884 /nfs/dbraw/zinc/40/58/84/1049405884.db2.gz YYGNTSSNBYDNCV-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001194757052 1049426200 /nfs/dbraw/zinc/42/62/00/1049426200.db2.gz XRITZYUQCBEDER-DLBZAZTESA-N 1 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CCCCCCCC[C@H]([NH3+])c1nc(-c2cc(F)ccn2)no1 ZINC001205831274 1049576696 /nfs/dbraw/zinc/57/66/96/1049576696.db2.gz GPLWNOSSJHCSKO-ZDUSSCGKSA-N 1 1 306.385 4.021 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC001205831897 1049578352 /nfs/dbraw/zinc/57/83/52/1049578352.db2.gz TYKGJJSOAUZKDY-INIZCTEOSA-N 1 1 317.433 4.496 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC001205831914 1049578848 /nfs/dbraw/zinc/57/88/48/1049578848.db2.gz USMXFMWMGMKJQT-INIZCTEOSA-N 1 1 317.433 4.496 20 30 DIEDMO CC1(C)C[C@H](Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1 ZINC001205849763 1049582153 /nfs/dbraw/zinc/58/21/53/1049582153.db2.gz UHXSCNUYJAPPGX-FQEVSTJZSA-N 1 1 319.452 4.218 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001195947776 1049598393 /nfs/dbraw/zinc/59/83/93/1049598393.db2.gz XQTXCFQCKLACLJ-OAHLLOKOSA-N 1 1 313.363 4.416 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947354 1049599971 /nfs/dbraw/zinc/59/99/71/1049599971.db2.gz SVIFSEFMXMWSDU-RHSMWYFYSA-N 1 1 318.848 4.121 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC(C)C)c(Cl)c1)[C@@H](C)COC ZINC001196047646 1049609383 /nfs/dbraw/zinc/60/93/83/1049609383.db2.gz ALLUKNKFVALFIJ-AWEZNQCLSA-N 1 1 311.853 4.150 20 30 DIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185888 1049611235 /nfs/dbraw/zinc/61/12/35/1049611235.db2.gz QZYDVPPATQIVFN-KRWDZBQOSA-N 1 1 311.454 4.141 20 30 DIEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)c1 ZINC001196142522 1049618088 /nfs/dbraw/zinc/61/80/88/1049618088.db2.gz NMDYGGWATFLEAV-OAQYLSRUSA-N 1 1 320.436 4.039 20 30 DIEDMO CC(C)Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001196329129 1049643497 /nfs/dbraw/zinc/64/34/97/1049643497.db2.gz LWSCVJZFDSQTAJ-FQEVSTJZSA-N 1 1 308.425 4.363 20 30 DIEDMO CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001196329129 1049643501 /nfs/dbraw/zinc/64/35/01/1049643501.db2.gz LWSCVJZFDSQTAJ-FQEVSTJZSA-N 1 1 308.425 4.363 20 30 DIEDMO Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C#N ZINC000488420575 1049648126 /nfs/dbraw/zinc/64/81/26/1049648126.db2.gz WQXKDYIHQMMOQJ-NHCUHLMSSA-N 1 1 315.420 4.138 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)ccc1C#N ZINC000488420575 1049648132 /nfs/dbraw/zinc/64/81/32/1049648132.db2.gz WQXKDYIHQMMOQJ-NHCUHLMSSA-N 1 1 315.420 4.138 20 30 DIEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001196684093 1049680328 /nfs/dbraw/zinc/68/03/28/1049680328.db2.gz KTQSSRLUYPXQDK-UHFFFAOYSA-N 1 1 322.452 4.208 20 30 DIEDMO C#CC(C)(C)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001182636101 1049692455 /nfs/dbraw/zinc/69/24/55/1049692455.db2.gz LMIQGZMFONCBLK-UHFFFAOYSA-N 1 1 312.457 4.049 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794594 1049695416 /nfs/dbraw/zinc/69/54/16/1049695416.db2.gz SOVXOMSMQQFHAE-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1Cl ZINC000488794595 1049696439 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CC1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)c(Cl)c2)CC1 ZINC001143809830 1050370572 /nfs/dbraw/zinc/37/05/72/1050370572.db2.gz DYCNSKCRJHPIEE-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO CSC1(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC1 ZINC000574089442 1050371161 /nfs/dbraw/zinc/37/11/61/1050371161.db2.gz GCJJZZVPYHZSJE-DLBZAZTESA-N 1 1 300.471 4.044 20 30 DIEDMO CC[N@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1OCC#N ZINC000735309248 1050373042 /nfs/dbraw/zinc/37/30/42/1050373042.db2.gz ANUCVPPLAZSOCL-UHFFFAOYSA-N 1 1 320.742 4.017 20 30 DIEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1OCC#N ZINC000735309248 1050373050 /nfs/dbraw/zinc/37/30/50/1050373050.db2.gz ANUCVPPLAZSOCL-UHFFFAOYSA-N 1 1 320.742 4.017 20 30 DIEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735311679 1050373627 /nfs/dbraw/zinc/37/36/27/1050373627.db2.gz UCPCDXOFEXNMMD-CQSZACIVSA-N 1 1 306.837 4.254 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(Cl)ccc3C1)CC2 ZINC001171116309 1050396830 /nfs/dbraw/zinc/39/68/30/1050396830.db2.gz 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/nfs/dbraw/zinc/44/30/45/1050443045.db2.gz RIKTVYJMPBUUGF-OAHLLOKOSA-N 1 1 304.459 4.001 20 30 DIEDMO CSc1ccccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211062869 1050462300 /nfs/dbraw/zinc/46/23/00/1050462300.db2.gz FZBPYIOLUDWLCH-UHFFFAOYSA-N 1 1 315.467 4.073 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000593964373 1050464337 /nfs/dbraw/zinc/46/43/37/1050464337.db2.gz GJHCHEOMNCWLJI-MRXNPFEDSA-N 1 1 313.445 4.083 20 30 DIEDMO C[C@H](c1cccc2ccccc21)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144166464 1050488254 /nfs/dbraw/zinc/48/82/54/1050488254.db2.gz HGDFTYCFPPNLKQ-OAHLLOKOSA-N 1 1 301.393 4.299 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3cc(F)c(F)cc3F)CCC2)cc1 ZINC000594522020 1050530390 /nfs/dbraw/zinc/53/03/90/1050530390.db2.gz XADGBFXUXHEANC-UHFFFAOYSA-N 1 1 316.326 4.145 20 30 DIEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607725 1050541331 /nfs/dbraw/zinc/54/13/31/1050541331.db2.gz YOSWGCRRBCMXIW-UHFFFAOYSA-N 1 1 321.468 4.337 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2cnccc2c1)[C@@H]1CCc2ccccc21 ZINC000787039430 1050543803 /nfs/dbraw/zinc/54/38/03/1050543803.db2.gz JAQNJARBEVHPNQ-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO N#CCC1(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000594911933 1050560980 /nfs/dbraw/zinc/56/09/80/1050560980.db2.gz MDXQKVOXJIPLNW-QGZVFWFLSA-N 1 1 300.471 4.078 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1nccs1 ZINC000594920376 1050563714 /nfs/dbraw/zinc/56/37/14/1050563714.db2.gz FKIYRLWHEWACJF-QGZVFWFLSA-N 1 1 311.454 4.113 20 30 DIEDMO CC(C)(C)c1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000594969313 1050572441 /nfs/dbraw/zinc/57/24/41/1050572441.db2.gz PCTJZSIVGZZDKM-UHFFFAOYSA-N 1 1 313.470 4.337 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(OC4CC4)c3F)CC2)c1 ZINC000594956786 1050580461 /nfs/dbraw/zinc/58/04/61/1050580461.db2.gz NKGYBKKNOCRJAA-UHFFFAOYSA-N 1 1 322.383 4.017 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(F)c(F)c3F)CCC2)cc1 ZINC000594951306 1050580670 /nfs/dbraw/zinc/58/06/70/1050580670.db2.gz 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DIEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccsc2Cl)c1 ZINC000790965370 1051012004 /nfs/dbraw/zinc/01/20/04/1051012004.db2.gz INSJSGVROMMQMY-CQSZACIVSA-N 1 1 320.845 4.372 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000773003793 1051017251 /nfs/dbraw/zinc/01/72/51/1051017251.db2.gz HCAAANNCBXHLIH-GFCCVEGCSA-N 1 1 316.626 4.005 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000773003558 1051018089 /nfs/dbraw/zinc/01/80/89/1051018089.db2.gz FACQETZJHVHKNL-NSHDSACASA-N 1 1 310.228 4.237 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1nc(NCC2CC2)cc[nH+]1 ZINC001171369763 1051019610 /nfs/dbraw/zinc/01/96/10/1051019610.db2.gz QBQNNTZTWARLDK-AWEZNQCLSA-N 1 1 324.428 4.036 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(Cl)c(F)c1 ZINC000773029429 1051029085 /nfs/dbraw/zinc/02/90/85/1051029085.db2.gz FRSQKJVERCWMTA-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000743849914 1051073390 /nfs/dbraw/zinc/07/33/90/1051073390.db2.gz AZRDWUSUKGUVHK-CJNGLKHVSA-N 1 1 304.821 4.007 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1N(C)C ZINC001171400099 1051087259 /nfs/dbraw/zinc/08/72/59/1051087259.db2.gz RCZHZMKPZSDNFW-INIZCTEOSA-N 1 1 307.441 4.126 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876372 1051088956 /nfs/dbraw/zinc/08/89/56/1051088956.db2.gz YXDRRWWHWCTDGW-VQIMIIECSA-N 1 1 324.424 4.393 20 30 DIEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H]3C3CCCC3)n2)cc1 ZINC000744141143 1051120197 /nfs/dbraw/zinc/12/01/97/1051120197.db2.gz GUGDRVZRNCVNDR-FQEVSTJZSA-N 1 1 320.440 4.034 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171459299 1051139615 /nfs/dbraw/zinc/13/96/15/1051139615.db2.gz SRMOFNUGRMWTNB-SJLPKXTDSA-N 1 1 312.457 4.215 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459287 1051140153 /nfs/dbraw/zinc/14/01/53/1051140153.db2.gz SRMOFNUGRMWTNB-AEFFLSMTSA-N 1 1 312.457 4.215 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC001171571760 1051169654 /nfs/dbraw/zinc/16/96/54/1051169654.db2.gz BBWMULDSMGZVEJ-KRWDZBQOSA-N 1 1 323.411 4.250 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1cccc(Cl)c1 ZINC000744405753 1051174334 /nfs/dbraw/zinc/17/43/34/1051174334.db2.gz WCDOPPOBZSYVPQ-KRWDZBQOSA-N 1 1 308.853 4.025 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1cccc(Cl)c1 ZINC000744405753 1051174340 /nfs/dbraw/zinc/17/43/40/1051174340.db2.gz WCDOPPOBZSYVPQ-KRWDZBQOSA-N 1 1 308.853 4.025 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000744405757 1051175375 /nfs/dbraw/zinc/17/53/75/1051175375.db2.gz WCDOPPOBZSYVPQ-QGZVFWFLSA-N 1 1 308.853 4.025 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000744405757 1051175382 /nfs/dbraw/zinc/17/53/82/1051175382.db2.gz WCDOPPOBZSYVPQ-QGZVFWFLSA-N 1 1 308.853 4.025 20 30 DIEDMO CC(C[NH+]1Cc2ccccc2C1)N=Nc1cccc2cnccc21 ZINC000792633991 1051195685 /nfs/dbraw/zinc/19/56/85/1051195685.db2.gz XQAICXRTJRPWLH-UHFFFAOYSA-N 1 1 316.408 4.038 20 30 DIEDMO C[C@@]1(CF)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378768 1051199723 /nfs/dbraw/zinc/19/97/23/1051199723.db2.gz KNWRDQIFLGLUMB-XBMUEBEBSA-N 1 1 300.421 4.072 20 30 DIEDMO C=C[C@@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001171740689 1051215497 /nfs/dbraw/zinc/21/54/97/1051215497.db2.gz KVOXWLXQFGZZDK-JRGCBEDISA-N 1 1 306.453 4.166 20 30 DIEDMO C=C[C@@H](N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001171740689 1051215511 /nfs/dbraw/zinc/21/55/11/1051215511.db2.gz KVOXWLXQFGZZDK-JRGCBEDISA-N 1 1 306.453 4.166 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792910073 1051222284 /nfs/dbraw/zinc/22/22/84/1051222284.db2.gz VIHVYYKGAMEUHR-OCCSQVGLSA-N 1 1 303.277 4.222 20 30 DIEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001171920802 1051240172 /nfs/dbraw/zinc/24/01/72/1051240172.db2.gz NNQQXVBIZYUVKL-GUYCJALGSA-N 1 1 321.848 4.473 20 30 DIEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC001171920800 1051242229 /nfs/dbraw/zinc/24/22/29/1051242229.db2.gz NNQQXVBIZYUVKL-CXAGYDPISA-N 1 1 321.848 4.473 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)C1CCC(C)(C(=O)OCC)CC1 ZINC001171957498 1051244136 /nfs/dbraw/zinc/24/41/36/1051244136.db2.gz QLTONFOUASWWQJ-UHFFFAOYSA-N 1 1 307.478 4.319 20 30 DIEDMO CC(C)(C)C#CCN[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975144 1051265407 /nfs/dbraw/zinc/26/54/07/1051265407.db2.gz LEIOWNJLGYKQQX-IBGZPJMESA-N 1 1 312.501 4.069 20 30 DIEDMO CC(C)(C)C#CC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975144 1051265437 /nfs/dbraw/zinc/26/54/37/1051265437.db2.gz LEIOWNJLGYKQQX-IBGZPJMESA-N 1 1 312.501 4.069 20 30 DIEDMO C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172068285 1051288492 /nfs/dbraw/zinc/28/84/92/1051288492.db2.gz PZACPLPIVZNANZ-WKCHPHFGSA-N 1 1 324.512 4.354 20 30 DIEDMO C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172068281 1051289187 /nfs/dbraw/zinc/28/91/87/1051289187.db2.gz PZACPLPIVZNANZ-MZADTFQBSA-N 1 1 324.512 4.354 20 30 DIEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)C1CCCCCCC1)C2 ZINC001172121520 1051303632 /nfs/dbraw/zinc/30/36/32/1051303632.db2.gz KGTOPARIUYRUEO-PMOLBWCYSA-N 1 1 317.521 4.330 20 30 DIEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CCC#N)C1CCCCCCC1)C2 ZINC001172121520 1051303641 /nfs/dbraw/zinc/30/36/41/1051303641.db2.gz KGTOPARIUYRUEO-PMOLBWCYSA-N 1 1 317.521 4.330 20 30 DIEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CCC#N)C1CCCCCCC1)C2 ZINC001172121520 1051303647 /nfs/dbraw/zinc/30/36/47/1051303647.db2.gz KGTOPARIUYRUEO-PMOLBWCYSA-N 1 1 317.521 4.330 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000746015168 1051306788 /nfs/dbraw/zinc/30/67/88/1051306788.db2.gz WKJAFXFGNMCUQI-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172192841 1051316408 /nfs/dbraw/zinc/31/64/08/1051316408.db2.gz GZLVBFRIHBUWTL-SFHVURJKSA-N 1 1 308.450 4.119 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CSc2ccccc2C1 ZINC001172192841 1051316414 /nfs/dbraw/zinc/31/64/14/1051316414.db2.gz GZLVBFRIHBUWTL-SFHVURJKSA-N 1 1 308.450 4.119 20 30 DIEDMO N#Cc1c(C[N@@H+](CCc2ccccc2)C2CC2)cn2ccccc12 ZINC000746118990 1051322416 /nfs/dbraw/zinc/32/24/16/1051322416.db2.gz MXXBIEGNGYNQLK-UHFFFAOYSA-N 1 1 315.420 4.018 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC000793620936 1051329523 /nfs/dbraw/zinc/32/95/23/1051329523.db2.gz UNYUGSXCXKYNFJ-QGZVFWFLSA-N 1 1 318.420 4.267 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001172306676 1051333913 /nfs/dbraw/zinc/33/39/13/1051333913.db2.gz KYEGLDIRPVJTNV-DYESRHJHSA-N 1 1 304.437 4.054 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172306826 1051334126 /nfs/dbraw/zinc/33/41/26/1051334126.db2.gz LIRTXUGJMCPEDC-JXFKEZNVSA-N 1 1 320.436 4.335 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172309641 1051336056 /nfs/dbraw/zinc/33/60/56/1051336056.db2.gz AZBYEJRWJZWBBH-IERDGZPVSA-N 1 1 304.437 4.499 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311045 1051336242 /nfs/dbraw/zinc/33/62/42/1051336242.db2.gz NSBUPYUQPBNIBM-OXQOHEQNSA-N 1 1 305.425 4.030 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001172307297 1051336426 /nfs/dbraw/zinc/33/64/26/1051336426.db2.gz NQQLIXYUADAVPS-UWJYYQICSA-N 1 1 320.436 4.033 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cc(Cl)ccc2C1 ZINC001172318808 1051339988 /nfs/dbraw/zinc/33/99/88/1051339988.db2.gz JFDGDKBWJDCDEH-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001172318791 1051340401 /nfs/dbraw/zinc/34/04/01/1051340401.db2.gz IUHWWACXZODTSQ-DNVCBOLYSA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001172319542 1051340524 /nfs/dbraw/zinc/34/05/24/1051340524.db2.gz OJYCFFPLGUCSJO-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC001172319541 1051340607 /nfs/dbraw/zinc/34/06/07/1051340607.db2.gz OJYCFFPLGUCSJO-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H](CCSC)C(=O)OC ZINC001172345684 1051364909 /nfs/dbraw/zinc/36/49/09/1051364909.db2.gz BRONWZJRVSVXBO-CABCVRRESA-N 1 1 303.512 4.010 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172357652 1051372421 /nfs/dbraw/zinc/37/24/21/1051372421.db2.gz LKDBKRASJWCEJL-ROUUACIJSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172357652 1051372427 /nfs/dbraw/zinc/37/24/27/1051372427.db2.gz LKDBKRASJWCEJL-ROUUACIJSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001172356317 1051372472 /nfs/dbraw/zinc/37/24/72/1051372472.db2.gz WDCGYGQKIIBMNH-OWCLPIDISA-N 1 1 303.437 4.339 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001172359940 1051374365 /nfs/dbraw/zinc/37/43/65/1051374365.db2.gz GKAJFYGACZOBQU-RTBURBONSA-N 1 1 310.526 4.457 20 30 DIEDMO C#C[C@](C)(CC)[NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001170450696 1051403193 /nfs/dbraw/zinc/40/31/93/1051403193.db2.gz FDUHJZDWIVJXKY-GOSISDBHSA-N 1 1 304.503 4.285 20 30 DIEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001172497220 1051418874 /nfs/dbraw/zinc/41/88/74/1051418874.db2.gz ACOSBFOSTYSDIT-ZEWNOJEFSA-N 1 1 324.468 4.266 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501776 1051420451 /nfs/dbraw/zinc/42/04/51/1051420451.db2.gz JZCPYQZRZYQJBD-GUDVDZBRSA-N 1 1 322.537 4.458 20 30 DIEDMO CC[N@H+](Cc1ccccc1)C1CCN([C@@H](C)CCCC#N)CC1 ZINC001172507447 1051425251 /nfs/dbraw/zinc/42/52/51/1051425251.db2.gz URDGMRZXGSIMPP-SFHVURJKSA-N 1 1 313.489 4.055 20 30 DIEDMO CC[N@@H+](Cc1ccccc1)C1CCN([C@@H](C)CCCC#N)CC1 ZINC001172507447 1051425260 /nfs/dbraw/zinc/42/52/60/1051425260.db2.gz URDGMRZXGSIMPP-SFHVURJKSA-N 1 1 313.489 4.055 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001172510417 1051426497 /nfs/dbraw/zinc/42/64/97/1051426497.db2.gz BRITYFTUKVCJCS-SFHVURJKSA-N 1 1 310.526 4.458 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001172509457 1051426919 /nfs/dbraw/zinc/42/69/19/1051426919.db2.gz LZCAQJFOLUNTCZ-GFCCVEGCSA-N 1 1 312.335 4.026 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172512085 1051428079 /nfs/dbraw/zinc/42/80/79/1051428079.db2.gz YNSVRPJRRIMIGS-QYZOEREBSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172511723 1051428450 /nfs/dbraw/zinc/42/84/50/1051428450.db2.gz VKVAMJAPVKDYNL-MRXNPFEDSA-N 1 1 317.539 4.025 20 30 DIEDMO N#CCC[N@H+](Cc1cccnc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555913 1051438918 /nfs/dbraw/zinc/43/89/18/1051438918.db2.gz GIJJMSWPBCHRNP-WOJBJXKFSA-N 1 1 305.425 4.134 20 30 DIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555913 1051438926 /nfs/dbraw/zinc/43/89/26/1051438926.db2.gz GIJJMSWPBCHRNP-WOJBJXKFSA-N 1 1 305.425 4.134 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCC4(CCC4)O3)CC2)cc1 ZINC001168871558 1051456018 /nfs/dbraw/zinc/45/60/18/1051456018.db2.gz BMWPDENIPUROSA-HXUWFJFHSA-N 1 1 322.452 4.139 20 30 DIEDMO C=CCCCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001169208164 1051548356 /nfs/dbraw/zinc/54/83/56/1051548356.db2.gz QRJGPSXUIZJXHD-UHFFFAOYSA-N 1 1 313.420 4.116 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(-c3ccccc3)o2)CC1 ZINC000177913213 1051554006 /nfs/dbraw/zinc/55/40/06/1051554006.db2.gz TZXHGGUQTAHRSB-MRXNPFEDSA-N 1 1 310.441 4.248 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000177913431 1051554846 /nfs/dbraw/zinc/55/48/46/1051554846.db2.gz VWSIPABONONHRZ-GFCCVEGCSA-N 1 1 313.272 4.294 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000177907608 1051554975 /nfs/dbraw/zinc/55/49/75/1051554975.db2.gz BNWDOKIVCASPFN-AWEZNQCLSA-N 1 1 322.880 4.040 20 30 DIEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC001169285900 1051569849 /nfs/dbraw/zinc/56/98/49/1051569849.db2.gz ZQLIXJTWNFEADT-APWZRJJASA-N 1 1 300.446 4.228 20 30 DIEDMO C=C(C)C[N@H+](CC)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304694 1051579744 /nfs/dbraw/zinc/57/97/44/1051579744.db2.gz IMVHXTQTABIPGK-UHFFFAOYSA-N 1 1 301.430 4.053 20 30 DIEDMO Cc1[nH+]ccn1Cc1ccc(Nc2cccc(C#N)c2C)cc1 ZINC001216177309 1051613064 /nfs/dbraw/zinc/61/30/64/1051613064.db2.gz HWKJIZPTIHNKFH-UHFFFAOYSA-N 1 1 302.381 4.164 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(Oc2ccccc2)CC1 ZINC001173206696 1051644946 /nfs/dbraw/zinc/64/49/46/1051644946.db2.gz VCDKUCNDLRRYBG-UHFFFAOYSA-N 1 1 320.436 4.380 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001169686883 1051671349 /nfs/dbraw/zinc/67/13/49/1051671349.db2.gz NYJVPBVUJUBJKD-LJQANCHMSA-N 1 1 311.510 4.397 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CC[C@](F)(c3ccccc3)C2)CCC1 ZINC001169745554 1051685552 /nfs/dbraw/zinc/68/55/52/1051685552.db2.gz 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DIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(C#N)cc1 ZINC001225242739 1052761851 /nfs/dbraw/zinc/76/18/51/1052761851.db2.gz HISNRKFJYZHDRW-HXUWFJFHSA-N 1 1 320.436 4.238 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(C#N)cc1 ZINC001225242736 1052762070 /nfs/dbraw/zinc/76/20/70/1052762070.db2.gz HISNRKFJYZHDRW-FQEVSTJZSA-N 1 1 320.436 4.238 20 30 DIEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335419 1052776705 /nfs/dbraw/zinc/77/67/05/1052776705.db2.gz UXXRVHVAFOLGFW-HXUWFJFHSA-N 1 1 306.409 4.087 20 30 DIEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000154660475 1052786586 /nfs/dbraw/zinc/78/65/86/1052786586.db2.gz ZJMCHSXSVWKBCA-QGZVFWFLSA-N 1 1 308.425 4.388 20 30 DIEDMO C=CCn1c(C2CC2)nn(C[N@@H+](C(CC)CC)C2CC2)c1=S ZINC000918178813 1052787063 /nfs/dbraw/zinc/78/70/63/1052787063.db2.gz KEEUFGRHAIPKCC-UHFFFAOYSA-N 1 1 320.506 4.088 20 30 DIEDMO C=CCn1c(C2CC2)nn(C[N@H+](C(CC)CC)C2CC2)c1=S ZINC000918178813 1052787071 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318.486 4.085 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1c(F)cccc1Cl ZINC000181736404 1053285533 /nfs/dbraw/zinc/28/55/33/1053285533.db2.gz QLOALBFBSKYODJ-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO COc1ccccc1C1([NH2+][C@H](C)c2ccc(C#N)cc2F)CCC1 ZINC001319963240 1053288729 /nfs/dbraw/zinc/28/87/29/1053288729.db2.gz XJNYZHCCQCAFSX-CQSZACIVSA-N 1 1 324.399 4.436 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000618281997 1053291398 /nfs/dbraw/zinc/29/13/98/1053291398.db2.gz KQIYTROKYVGWNQ-QGZVFWFLSA-N 1 1 302.487 4.497 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)ccn1 ZINC000618333157 1053294955 /nfs/dbraw/zinc/29/49/55/1053294955.db2.gz PGVAQCAWHUXBGL-GOSISDBHSA-N 1 1 311.816 4.334 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)ccn1 ZINC000618333157 1053294968 /nfs/dbraw/zinc/29/49/68/1053294968.db2.gz PGVAQCAWHUXBGL-GOSISDBHSA-N 1 1 311.816 4.334 20 30 DIEDMO CCCCCCCOc1ccc(CN2CCC[C@H](C[NH3+])C2)cc1 ZINC000100019579 1053299013 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CC(C)[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)cc1 ZINC000619069243 1053426775 /nfs/dbraw/zinc/42/67/75/1053426775.db2.gz HLZJDRBTADKEIA-UHFFFAOYSA-N 1 1 303.409 4.450 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000093757240 1053444886 /nfs/dbraw/zinc/44/48/86/1053444886.db2.gz CPHCCYDNGQUBRK-MRXNPFEDSA-N 1 1 302.487 4.431 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001300183223 1053469340 /nfs/dbraw/zinc/46/93/40/1053469340.db2.gz QLIQCKWUWXZGOX-JQDPHBCOSA-N 1 1 320.521 4.093 20 30 DIEDMO C=CC[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccc(Cl)cc1 ZINC001230517947 1053550366 /nfs/dbraw/zinc/55/03/66/1053550366.db2.gz INLBYDONZSQWMK-INIZCTEOSA-N 1 1 313.788 4.495 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@H](CC)c2cc(F)ccc2F)CC1 ZINC000152974304 1053564811 /nfs/dbraw/zinc/56/48/11/1053564811.db2.gz YSYXZAUZJKAPQA-GOSISDBHSA-N 1 1 308.416 4.046 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002566 1053568281 /nfs/dbraw/zinc/56/82/81/1053568281.db2.gz 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ZINC001231492412 1053769644 /nfs/dbraw/zinc/76/96/44/1053769644.db2.gz JQHQRSCQCWJQDY-SFHVURJKSA-N 1 1 315.482 4.003 20 30 DIEDMO N#CCC[N@@H+](Cc1c[nH]c2cnccc12)C1CCCCCCC1 ZINC001231518885 1053778099 /nfs/dbraw/zinc/77/80/99/1053778099.db2.gz PGZPLQSHZBSPLD-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)[C@@H](C)C1 ZINC001231578677 1053788285 /nfs/dbraw/zinc/78/82/85/1053788285.db2.gz QOPAVFFBVAXXFH-PGRDOPGGSA-N 1 1 319.448 4.086 20 30 DIEDMO Cc1cccc2cc(C[N@@H+]3CCC[C@@H](C#N)CC3)c(Cl)nc12 ZINC001231648234 1053816843 /nfs/dbraw/zinc/81/68/43/1053816843.db2.gz AESXZQCCSBRRNH-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1cccc2cc(C[N@H+]3CCC[C@@H](C#N)CC3)c(Cl)nc12 ZINC001231648234 1053816863 /nfs/dbraw/zinc/81/68/63/1053816863.db2.gz AESXZQCCSBRRNH-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001231713559 1053837310 /nfs/dbraw/zinc/83/73/10/1053837310.db2.gz ZPIVRROIPGUNNG-CQSZACIVSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001231713559 1053837330 /nfs/dbraw/zinc/83/73/30/1053837330.db2.gz ZPIVRROIPGUNNG-CQSZACIVSA-N 1 1 306.837 4.253 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC(C)(C)C)cc1 ZINC001231807149 1053864361 /nfs/dbraw/zinc/86/43/61/1053864361.db2.gz XGVRNINRBPXMHQ-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO CC(C)(C)Oc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001231807842 1053865149 /nfs/dbraw/zinc/86/51/49/1053865149.db2.gz QYGDTUNRXQYAPK-UHFFFAOYSA-N 1 1 320.436 4.294 20 30 DIEDMO CC(C)(C)Oc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001231807842 1053865164 /nfs/dbraw/zinc/86/51/64/1053865164.db2.gz QYGDTUNRXQYAPK-UHFFFAOYSA-N 1 1 320.436 4.294 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC001231819864 1053875121 /nfs/dbraw/zinc/87/51/21/1053875121.db2.gz IGHWQPFYEXQINZ-UYAOXDASSA-N 1 1 311.473 4.191 20 30 DIEDMO N#CC1CCC(C[N@@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC001354468228 1053876541 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C=CC[N@H+](Cc1ccccc1)Cc1cccc(C(F)(F)F)n1 ZINC001232070858 1053955453 /nfs/dbraw/zinc/95/54/53/1053955453.db2.gz BDDGFKMBHZXZAR-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(F)(F)F)n1 ZINC001232070858 1053955469 /nfs/dbraw/zinc/95/54/69/1053955469.db2.gz BDDGFKMBHZXZAR-UHFFFAOYSA-N 1 1 306.331 4.289 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1Cl ZINC001232115589 1053964201 /nfs/dbraw/zinc/96/42/01/1053964201.db2.gz VPPVUMITCWLQLK-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1Cl ZINC001232115671 1053964668 /nfs/dbraw/zinc/96/46/68/1053964668.db2.gz YZDAELWAJZFEDZ-KRWDZBQOSA-N 1 1 310.828 4.276 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1Cl ZINC001232115437 1053965787 /nfs/dbraw/zinc/96/57/87/1053965787.db2.gz OXSBOAGTQKABAA-INIZCTEOSA-N 1 1 314.791 4.340 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1cccc2cccnc21 ZINC001232115515 1053966543 /nfs/dbraw/zinc/96/65/43/1053966543.db2.gz SAIYXHJKFKMDST-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)c(Cl)c1 ZINC001232118506 1053968225 /nfs/dbraw/zinc/96/82/25/1053968225.db2.gz NVIPGAKQLSHJKZ-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001354802581 1053974880 /nfs/dbraw/zinc/97/48/80/1053974880.db2.gz QDYVJRDVJZTPNT-GOSISDBHSA-N 1 1 308.510 4.118 20 30 DIEDMO COc1cc(C)c(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001232355917 1054031971 /nfs/dbraw/zinc/03/19/71/1054031971.db2.gz YNRBUPGSZMDROM-UHFFFAOYSA-N 1 1 315.461 4.227 20 30 DIEDMO COc1cc(C)c(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001232355917 1054031985 /nfs/dbraw/zinc/03/19/85/1054031985.db2.gz YNRBUPGSZMDROM-UHFFFAOYSA-N 1 1 315.461 4.227 20 30 DIEDMO Cc1cccc(C[N@H+](CCC#N)C2CCCC2)c1OC(C)C ZINC001232391213 1054037557 /nfs/dbraw/zinc/03/75/57/1054037557.db2.gz IHSDCLOVAIIXGO-UHFFFAOYSA-N 1 1 300.446 4.441 20 30 DIEDMO Cc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1OC(C)C ZINC001232391213 1054037567 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C=CCCCC[N@H+](C)Cc1cc(OCc2ccccc2)ccn1 ZINC001232590568 1054076139 /nfs/dbraw/zinc/07/61/39/1054076139.db2.gz ZLOISQBSUWUAOA-UHFFFAOYSA-N 1 1 310.441 4.449 20 30 DIEDMO CC1(C)CCC2(CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)O1 ZINC001232609719 1054081731 /nfs/dbraw/zinc/08/17/31/1054081731.db2.gz RBAPPELPFQGJFU-UHFFFAOYSA-N 1 1 318.848 4.135 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3ccsc3c1)C2 ZINC001232610074 1054083496 /nfs/dbraw/zinc/08/34/96/1054083496.db2.gz GWSZIQLBXKIHFD-UHFFFAOYSA-N 1 1 304.418 4.331 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CCc3ccccc3)C2)s1 ZINC001232845300 1054129871 /nfs/dbraw/zinc/12/98/71/1054129871.db2.gz SWEUTQJEDHTVJC-QGZVFWFLSA-N 1 1 310.466 4.465 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cccc(F)c2)nc1 ZINC001232890345 1054142197 /nfs/dbraw/zinc/14/21/97/1054142197.db2.gz SQYRNZBQUGGQKV-OHFIKTQHSA-N 1 1 321.399 4.154 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1C#N ZINC001232893175 1054143651 /nfs/dbraw/zinc/14/36/51/1054143651.db2.gz PXMASHXBCNQNMX-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1C#N ZINC001232893175 1054143660 /nfs/dbraw/zinc/14/36/60/1054143660.db2.gz PXMASHXBCNQNMX-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(Br)c(C#N)c1 ZINC001232898733 1054144174 /nfs/dbraw/zinc/14/41/74/1054144174.db2.gz GVCYXRPJOKQCHQ-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO C[N@@H+](Cc1cccs1)Cc1ccc(Br)c(C#N)c1 ZINC001232894872 1054144660 /nfs/dbraw/zinc/14/46/60/1054144660.db2.gz GLKTXGMDGRMNDN-UHFFFAOYSA-N 1 1 321.243 4.014 20 30 DIEDMO C=CC[N@H+](Cc1cc(C)c(Br)cn1)C1CCCCC1 ZINC001232908915 1054147807 /nfs/dbraw/zinc/14/78/07/1054147807.db2.gz ZZZRYCBNVZQAOV-UHFFFAOYSA-N 1 1 323.278 4.473 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](Sc3ccncc3)C2)c(C#N)c1 ZINC001232966323 1054159781 /nfs/dbraw/zinc/15/97/81/1054159781.db2.gz KXLGINQSYMWERT-LJQANCHMSA-N 1 1 323.465 4.018 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Sc3ccncc3)C2)c(C#N)c1 ZINC001232966323 1054159791 /nfs/dbraw/zinc/15/97/91/1054159791.db2.gz KXLGINQSYMWERT-LJQANCHMSA-N 1 1 323.465 4.018 20 30 DIEDMO Cc1ncc(F)cc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001232989039 1054165631 /nfs/dbraw/zinc/16/56/31/1054165631.db2.gz LTNOEWUPHVREOT-UHFFFAOYSA-N 1 1 303.425 4.358 20 30 DIEDMO Cc1ncc(F)cc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001232989039 1054165641 /nfs/dbraw/zinc/16/56/41/1054165641.db2.gz LTNOEWUPHVREOT-UHFFFAOYSA-N 1 1 303.425 4.358 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001233083438 1054183858 /nfs/dbraw/zinc/18/38/58/1054183858.db2.gz KSAPGGMHYBNMDA-GOSISDBHSA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001233083438 1054183864 /nfs/dbraw/zinc/18/38/64/1054183864.db2.gz KSAPGGMHYBNMDA-GOSISDBHSA-N 1 1 312.363 4.482 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 ZINC001334814326 1054200988 /nfs/dbraw/zinc/20/09/88/1054200988.db2.gz UIAQAFPZWVDADP-GHMZBOCLSA-N 1 1 303.768 4.158 20 30 DIEDMO Clc1ccccc1C#CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC001334883690 1054204612 /nfs/dbraw/zinc/20/46/12/1054204612.db2.gz FEOCDXYVVYUCFX-UHFFFAOYSA-N 1 1 324.855 4.268 20 30 DIEDMO Cc1c(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC001233222334 1054207708 /nfs/dbraw/zinc/20/77/08/1054207708.db2.gz PDLVIDUGVNGNKP-AWEZNQCLSA-N 1 1 321.262 4.192 20 30 DIEDMO Cc1c(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Br ZINC001233222334 1054207717 /nfs/dbraw/zinc/20/77/17/1054207717.db2.gz PDLVIDUGVNGNKP-AWEZNQCLSA-N 1 1 321.262 4.192 20 30 DIEDMO C=CC[N@@H+](Cc1cnc2cccc(Cl)n12)Cc1ccccc1 ZINC001233359338 1054247318 /nfs/dbraw/zinc/24/73/18/1054247318.db2.gz RVGBOHFYAQKOSZ-UHFFFAOYSA-N 1 1 311.816 4.176 20 30 DIEDMO C=CC[N@H+](Cc1cnc2cccc(Cl)n12)Cc1ccccc1 ZINC001233359338 1054247332 /nfs/dbraw/zinc/24/73/32/1054247332.db2.gz RVGBOHFYAQKOSZ-UHFFFAOYSA-N 1 1 311.816 4.176 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1O)Cc1cccc2ccccc21 ZINC001233385855 1054258011 /nfs/dbraw/zinc/25/80/11/1054258011.db2.gz VOBADUHHEOGAHB-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1cccc2ccccc21 ZINC001233385855 1054258019 /nfs/dbraw/zinc/25/80/19/1054258019.db2.gz VOBADUHHEOGAHB-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c[nH]nc1-c1cc(F)cc(F)c1 ZINC001233406463 1054263622 /nfs/dbraw/zinc/26/36/22/1054263622.db2.gz QENWSGPKZILJRV-UHFFFAOYSA-N 1 1 305.372 4.143 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233486803 1054281018 /nfs/dbraw/zinc/28/10/18/1054281018.db2.gz CWYXGFFEAFDTRS-UHFFFAOYSA-N 1 1 309.450 4.376 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233511561 1054286235 /nfs/dbraw/zinc/28/62/35/1054286235.db2.gz JKUNRCNKWKSXTF-IBGZPJMESA-N 1 1 306.409 4.088 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC001356378461 1054324713 /nfs/dbraw/zinc/32/47/13/1054324713.db2.gz PDLSSYRYXNCDHS-QGZVFWFLSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1CCC[N@@H+](C)CC1 ZINC001440405815 1054349640 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CCc1ccc(C2=CC[N@@H+](Cc3ccc(C#N)s3)CC2)cc1 ZINC001616831235 1056724122 /nfs/dbraw/zinc/72/41/22/1056724122.db2.gz DPTOBPCLWWDOHB-UHFFFAOYSA-N 1 1 308.450 4.471 20 30 DIEDMO CC(C)CSCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898460 1056734758 /nfs/dbraw/zinc/73/47/58/1056734758.db2.gz CKOVTICIPVHYDB-UHFFFAOYSA-N 1 1 314.498 4.427 20 30 DIEDMO CCC1(CC)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCS1 ZINC001617023979 1056760381 /nfs/dbraw/zinc/76/03/81/1056760381.db2.gz OZCJFTOSMOPAHF-UHFFFAOYSA-N 1 1 308.878 4.319 20 30 DIEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC001617345915 1056817585 /nfs/dbraw/zinc/81/75/85/1056817585.db2.gz VRDCZMKKGFDORJ-PWRODBHTSA-N 1 1 317.436 4.111 20 30 DIEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(C(C)(C)CC)cc1 ZINC001617598374 1056854153 /nfs/dbraw/zinc/85/41/53/1056854153.db2.gz YTLBVMRYZIQBOP-UHFFFAOYSA-N 1 1 302.506 4.314 20 30 DIEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C(C)(C)CC)cc1 ZINC001617598374 1056854164 /nfs/dbraw/zinc/85/41/64/1056854164.db2.gz YTLBVMRYZIQBOP-UHFFFAOYSA-N 1 1 302.506 4.314 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(C(C)(C)CC)cc1 ZINC001617598374 1056854172 /nfs/dbraw/zinc/85/41/72/1056854172.db2.gz YTLBVMRYZIQBOP-UHFFFAOYSA-N 1 1 302.506 4.314 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2cc(C)cc(C)c2)CCCC1(C)C ZINC001617604299 1056856868 /nfs/dbraw/zinc/85/68/68/1056856868.db2.gz RQMRFJPTYNLCOC-GOSISDBHSA-N 1 1 314.473 4.309 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001617790669 1056883590 /nfs/dbraw/zinc/88/35/90/1056883590.db2.gz AFRXNNYNEURJKB-FGZHOGPDSA-N 1 1 319.448 4.432 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC001617874837 1056894605 /nfs/dbraw/zinc/89/46/05/1056894605.db2.gz IIDKXWMOTGHLPB-FQEVSTJZSA-N 1 1 324.553 4.314 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618084330 1056921815 /nfs/dbraw/zinc/92/18/15/1056921815.db2.gz RRXSDCKAPCGTAW-GOEBONIOSA-N 1 1 320.274 4.115 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC001618227523 1056937108 /nfs/dbraw/zinc/93/71/08/1056937108.db2.gz GVHJXNGCTPUIKZ-IRXDYDNUSA-N 1 1 324.509 4.288 20 30 DIEDMO C[C@@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC001618273182 1056942853 /nfs/dbraw/zinc/94/28/53/1056942853.db2.gz HJDGWHPUWFVELF-KRWDZBQOSA-N 1 1 314.473 4.223 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cc1 ZINC000013002133 1057015191 /nfs/dbraw/zinc/01/51/91/1057015191.db2.gz UKPDANWXITXYGH-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000123875951 1057029706 /nfs/dbraw/zinc/02/97/06/1057029706.db2.gz MKPUYDOJZQJJIV-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C(F)(F)F)cc1 ZINC000154880718 1057039615 /nfs/dbraw/zinc/03/96/15/1057039615.db2.gz LFNKSVKTCILXDM-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)s2)cc1 ZINC001241415732 1057046104 /nfs/dbraw/zinc/04/61/04/1057046104.db2.gz GZVHGURZRHHRHU-OAHLLOKOSA-N 1 1 300.427 4.142 20 30 DIEDMO N#Cc1ccc(-c2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cn1 ZINC001241434323 1057048676 /nfs/dbraw/zinc/04/86/76/1057048676.db2.gz NCMMIMWNLKOOQO-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO Cc1nc(C2=CC[N@@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC001241502915 1057070196 /nfs/dbraw/zinc/07/01/96/1057070196.db2.gz COQDDFVOHXPKTJ-UHFFFAOYSA-N 1 1 317.436 4.168 20 30 DIEDMO N#Cc1cc2cc(C3=CC[N@@H+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC001241505686 1057077785 /nfs/dbraw/zinc/07/77/85/1057077785.db2.gz YEKSPLCURYKUOY-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CCCCC3)CC2)c1F ZINC001143164101 1057098318 /nfs/dbraw/zinc/09/83/18/1057098318.db2.gz AESJPLGMJNQNGM-UHFFFAOYSA-N 1 1 304.384 4.383 20 30 DIEDMO CC[N@@H+](Cc1cccc2nsnc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000766018643 1057108744 /nfs/dbraw/zinc/10/87/44/1057108744.db2.gz NIOWVGGAJXOEDZ-ZDUSSCGKSA-N 1 1 322.437 4.146 20 30 DIEDMO N#Cc1ccc(OCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000029212959 1057136958 /nfs/dbraw/zinc/13/69/58/1057136958.db2.gz KUBFSKHWMKEZAF-UHFFFAOYSA-N 1 1 323.783 4.251 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)cc2C)cc1 ZINC001241776500 1057162034 /nfs/dbraw/zinc/16/20/34/1057162034.db2.gz SFPIFWHPXADSEF-LJQANCHMSA-N 1 1 308.425 4.389 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC001307589429 1057175938 /nfs/dbraw/zinc/17/59/38/1057175938.db2.gz VKWBVVTXHOQHMB-NWDGAFQWSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC001307589429 1057175943 /nfs/dbraw/zinc/17/59/43/1057175943.db2.gz VKWBVVTXHOQHMB-NWDGAFQWSA-N 1 1 300.402 4.267 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000625701484 1057192546 /nfs/dbraw/zinc/19/25/46/1057192546.db2.gz RZVSKCVWBBBGAZ-HNNXBMFYSA-N 1 1 314.454 4.120 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2csc(COc3ccccc3)n2)C1 ZINC000625701484 1057192548 /nfs/dbraw/zinc/19/25/48/1057192548.db2.gz RZVSKCVWBBBGAZ-HNNXBMFYSA-N 1 1 314.454 4.120 20 30 DIEDMO C#Cc1cccc(-c2nc(C[NH+](C)C)nc3sc(C)c(C)c32)c1 ZINC001241916717 1057210866 /nfs/dbraw/zinc/21/08/66/1057210866.db2.gz HCJPNRBDUXMTEG-UHFFFAOYSA-N 1 1 321.449 4.018 20 30 DIEDMO C=CCCC1(C[NH2+][C@@H](c2nnc[nH]2)c2ccccc2)CCCC1 ZINC000658100071 1057266912 /nfs/dbraw/zinc/26/69/12/1057266912.db2.gz ZNUXXAXFTCERCB-QGZVFWFLSA-N 1 1 310.445 4.010 20 30 DIEDMO COc1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c1C#N ZINC001242298204 1057326043 /nfs/dbraw/zinc/32/60/43/1057326043.db2.gz HPZUYICFYASYKN-HNNXBMFYSA-N 1 1 321.424 4.003 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)cc1 ZINC000173847798 1057344917 /nfs/dbraw/zinc/34/49/17/1057344917.db2.gz VSQLPUMCCFIJBO-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(Cl)c1 ZINC000174265285 1057355412 /nfs/dbraw/zinc/35/54/12/1057355412.db2.gz UFACHRFVALYISE-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)c(Cl)c1 ZINC000174323642 1057357618 /nfs/dbraw/zinc/35/76/18/1057357618.db2.gz PVKKXGIVASXPEG-UHFFFAOYSA-N 1 1 309.196 4.483 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338383 1057366615 /nfs/dbraw/zinc/36/66/15/1057366615.db2.gz FAAJPJOLYVOKGC-LBTNJELSSA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338383 1057366620 /nfs/dbraw/zinc/36/66/20/1057366620.db2.gz FAAJPJOLYVOKGC-LBTNJELSSA-N 1 1 312.438 4.143 20 30 DIEDMO C=C(CNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000675783474 1057414284 /nfs/dbraw/zinc/41/42/84/1057414284.db2.gz ICMCFJCYZPZECR-UWJYYQICSA-N 1 1 312.501 4.333 20 30 DIEDMO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)c(C#N)c1 ZINC001242591192 1057417250 /nfs/dbraw/zinc/41/72/50/1057417250.db2.gz KBILVQLNCCXGFP-INIZCTEOSA-N 1 1 305.425 4.303 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)C[C@@H](C)C2)nc1 ZINC001242739499 1057464646 /nfs/dbraw/zinc/46/46/46/1057464646.db2.gz DNRDGLNGEFWWOX-MGPUTAFESA-N 1 1 312.457 4.401 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)nc2C)cc1 ZINC001242929777 1057521191 /nfs/dbraw/zinc/52/11/91/1057521191.db2.gz NGNXSGNWQGHVDY-LJQANCHMSA-N 1 1 308.425 4.389 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2Cl)c(F)c1 ZINC000611080816 1057581243 /nfs/dbraw/zinc/58/12/43/1057581243.db2.gz NEJRHXBTCBKDSY-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO CC[N@H+](CCC#N)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611253856 1057586310 /nfs/dbraw/zinc/58/63/10/1057586310.db2.gz DVZUHKZQKLNFDK-UHFFFAOYSA-N 1 1 317.436 4.425 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611253856 1057586315 /nfs/dbraw/zinc/58/63/15/1057586315.db2.gz DVZUHKZQKLNFDK-UHFFFAOYSA-N 1 1 317.436 4.425 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000611268909 1057587121 /nfs/dbraw/zinc/58/71/21/1057587121.db2.gz BYVSHARERFWSDD-QGZVFWFLSA-N 1 1 312.438 4.356 20 30 DIEDMO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)CC(C)(C)CCC#N ZINC000611266734 1057587275 /nfs/dbraw/zinc/58/72/75/1057587275.db2.gz FSLWAPWPZUIJLJ-RTBURBONSA-N 1 1 314.473 4.416 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000611259261 1057587764 /nfs/dbraw/zinc/58/77/64/1057587764.db2.gz AOPVSSYUKIBELJ-MRXNPFEDSA-N 1 1 321.449 4.481 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2OC)cc1 ZINC001243174786 1057593727 /nfs/dbraw/zinc/59/37/27/1057593727.db2.gz AACFDWXJFXEHCN-FQEVSTJZSA-N 1 1 323.436 4.177 20 30 DIEDMO CCc1ccc([C@@H](COC)[NH2+][C@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393179 1057595127 /nfs/dbraw/zinc/59/51/27/1057595127.db2.gz MVIYKZAHNOFHKS-RBUKOAKNSA-N 1 1 324.424 4.068 20 30 DIEDMO Cc1nc2ccccc2nc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000611406992 1057598337 /nfs/dbraw/zinc/59/83/37/1057598337.db2.gz OMBAXBAXMVZWEF-KRWDZBQOSA-N 1 1 316.408 4.073 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243588584 1057725544 /nfs/dbraw/zinc/72/55/44/1057725544.db2.gz KCHWGLWIYMNTMQ-INIZCTEOSA-N 1 1 321.424 4.025 20 30 DIEDMO C#CC[N@H+](Cc1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000731031593 1057733106 /nfs/dbraw/zinc/73/31/06/1057733106.db2.gz YWQMRJPFPBPCGI-UHFFFAOYSA-N 1 1 300.427 4.171 20 30 DIEDMO C#CC[N@@H+](Cc1csc(-c2ccoc2)n1)C1CCCCC1 ZINC000731031593 1057733113 /nfs/dbraw/zinc/73/31/13/1057733113.db2.gz YWQMRJPFPBPCGI-UHFFFAOYSA-N 1 1 300.427 4.171 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731210443 1057737506 /nfs/dbraw/zinc/73/75/06/1057737506.db2.gz NKSOWZRPJYLBAI-CQSZACIVSA-N 1 1 314.816 4.435 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCc2ccccc21 ZINC000731212193 1057737871 /nfs/dbraw/zinc/73/78/71/1057737871.db2.gz YINIXFUUDDXXMD-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)c1 ZINC000731211653 1057738228 /nfs/dbraw/zinc/73/82/28/1057738228.db2.gz SPAMCGBAQRZOHD-HXUWFJFHSA-N 1 1 306.409 4.235 20 30 DIEDMO N#Cc1ccccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731845729 1057756003 /nfs/dbraw/zinc/75/60/03/1057756003.db2.gz ISLNXAIBFGMYJF-UHFFFAOYSA-N 1 1 306.409 4.209 20 30 DIEDMO C=CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)CC1CCCCC1 ZINC000732667218 1057783041 /nfs/dbraw/zinc/78/30/41/1057783041.db2.gz LFRIMGYVQDUUCU-SFHVURJKSA-N 1 1 309.400 4.067 20 30 DIEDMO N#Cc1ccc(-c2[nH+]ccc3c2ccn3Cc2ccccc2)c(N)c1 ZINC001244082029 1057862636 /nfs/dbraw/zinc/86/26/36/1057862636.db2.gz KZLHGTXBEOLOCZ-UHFFFAOYSA-N 1 1 324.387 4.205 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C)c(C#N)c2)nc1 ZINC001244482430 1057972070 /nfs/dbraw/zinc/97/20/70/1057972070.db2.gz MIPDDZZAKWKTDW-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)cc2C)cc1 ZINC001244583544 1058001880 /nfs/dbraw/zinc/00/18/80/1058001880.db2.gz ACTHXIVWDYKRLH-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)cc1C#N ZINC001244707682 1058031922 /nfs/dbraw/zinc/03/19/22/1058031922.db2.gz NYXSVSFNAKSUCN-HNNXBMFYSA-N 1 1 321.424 4.003 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)cc1C#N ZINC001244707687 1058032189 /nfs/dbraw/zinc/03/21/89/1058032189.db2.gz NYXSVSFNAKSUCN-OAHLLOKOSA-N 1 1 321.424 4.003 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)cnc2F)cc1 ZINC001245064123 1058106103 /nfs/dbraw/zinc/10/61/03/1058106103.db2.gz NWEGKFOWPBYRSP-GOSISDBHSA-N 1 1 312.388 4.219 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(OC(C)C)nc2)cc1 ZINC001245264942 1058136617 /nfs/dbraw/zinc/13/66/17/1058136617.db2.gz RZVPZEZAAWPABX-IBGZPJMESA-N 1 1 323.440 4.254 20 30 DIEDMO C=C(C)CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001516575878 1058181813 /nfs/dbraw/zinc/18/18/13/1058181813.db2.gz HNRYGSMEAWKRCR-MRXNPFEDSA-N 1 1 300.446 4.356 20 30 DIEDMO C=CC(C)(C)C(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001516577733 1058181840 /nfs/dbraw/zinc/18/18/40/1058181840.db2.gz ZCXYLXATGUSBNJ-OAHLLOKOSA-N 1 1 300.446 4.212 20 30 DIEDMO C=CCCC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC001557476013 1058754794 /nfs/dbraw/zinc/75/47/94/1058754794.db2.gz SNKUDUXHHDEKEE-GOSISDBHSA-N 1 1 318.505 4.036 20 30 DIEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001557556595 1058766500 /nfs/dbraw/zinc/76/65/00/1058766500.db2.gz QDGKSQCQQNVZEO-KRWDZBQOSA-N 1 1 308.510 4.260 20 30 DIEDMO CC(C)[C@@H](N[C@H]1CC[NH2+][C@@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301585 1058809964 /nfs/dbraw/zinc/80/99/64/1058809964.db2.gz TVPUUHIUNYYATH-IPMKNSEASA-N 1 1 313.489 4.012 20 30 DIEDMO CC(C)[C@@H](N[C@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301582 1058810480 /nfs/dbraw/zinc/81/04/80/1058810480.db2.gz TVPUUHIUNYYATH-GBESFXJTSA-N 1 1 313.489 4.012 20 30 DIEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)cc(F)c2C#N)c1 ZINC001559080421 1058971210 /nfs/dbraw/zinc/97/12/10/1058971210.db2.gz GXTJWTMNUYTDPG-UHFFFAOYSA-N 1 1 311.404 4.070 20 30 DIEDMO CCC[NH+](CCC)c1ccc(Nc2cc(C#N)nc(C)n2)cc1 ZINC001559227009 1059103606 /nfs/dbraw/zinc/10/36/06/1059103606.db2.gz AHYPHJAGOYJFBW-UHFFFAOYSA-N 1 1 309.417 4.027 20 30 DIEDMO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246951144 1059194614 /nfs/dbraw/zinc/19/46/14/1059194614.db2.gz XYPMNWGZMRYSLO-PZJWPPBQSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246951144 1059194630 /nfs/dbraw/zinc/19/46/30/1059194630.db2.gz XYPMNWGZMRYSLO-PZJWPPBQSA-N 1 1 312.501 4.170 20 30 DIEDMO CCCCCCC[C@@H](C)N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001246955900 1059199594 /nfs/dbraw/zinc/19/95/94/1059199594.db2.gz VJGZMIFIKKBKNL-GOSISDBHSA-N 1 1 317.521 4.385 20 30 DIEDMO C=CCC[C@H](C)N(Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246955641 1059201805 /nfs/dbraw/zinc/20/18/05/1059201805.db2.gz MPWSOKHZXBFALV-INIZCTEOSA-N 1 1 304.453 4.043 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978594 1059223040 /nfs/dbraw/zinc/22/30/40/1059223040.db2.gz WKKUEOFZLCRNBR-CZUORRHYSA-N 1 1 312.379 4.006 20 30 DIEDMO C=CCC[C@@H](C)N1CC[NH2+]C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978594 1059223056 /nfs/dbraw/zinc/22/30/56/1059223056.db2.gz WKKUEOFZLCRNBR-CZUORRHYSA-N 1 1 312.379 4.006 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCC2(CCC2)CO1)[C@H](C)c1ccc(C#N)cc1 ZINC001559494287 1059275164 /nfs/dbraw/zinc/27/51/64/1059275164.db2.gz BCZQTHUCTSACPV-APWZRJJASA-N 1 1 312.457 4.290 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCc2ccccc21 ZINC001559499045 1059283190 /nfs/dbraw/zinc/28/31/90/1059283190.db2.gz GRANNWBXLCUASX-NRFANRHFSA-N 1 1 300.405 4.291 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1OC ZINC001559505988 1059295434 /nfs/dbraw/zinc/29/54/34/1059295434.db2.gz UIVMMHWQFMYKEB-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO Cc1ncsc1CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507510 1059297338 /nfs/dbraw/zinc/29/73/38/1059297338.db2.gz QGAYGHRKTJHUHR-UHFFFAOYSA-N 1 1 313.470 4.166 20 30 DIEDMO C=CC[N@@H+](CC#Cc1cccc(Cl)c1)CCc1ccccc1 ZINC001559513037 1059305440 /nfs/dbraw/zinc/30/54/40/1059305440.db2.gz FBGKQSLKPLTWDP-UHFFFAOYSA-N 1 1 309.840 4.422 20 30 DIEDMO C=CC[N@@H+](CCCc1cccc(OC)c1)CCc1ccccc1 ZINC001559513017 1059307947 /nfs/dbraw/zinc/30/79/47/1059307947.db2.gz DNJQVQXKZOXFRM-UHFFFAOYSA-N 1 1 309.453 4.359 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2cnccc2c1 ZINC001559513831 1059309818 /nfs/dbraw/zinc/30/98/18/1059309818.db2.gz IEIWIXFHZGQUNG-UHFFFAOYSA-N 1 1 302.421 4.466 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)cc(C#N)cc1C ZINC001559514116 1059312583 /nfs/dbraw/zinc/31/25/83/1059312583.db2.gz RYFIUOQLJVPSJW-UHFFFAOYSA-N 1 1 304.437 4.406 20 30 DIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)C1CCCCC1 ZINC001559523301 1059320392 /nfs/dbraw/zinc/32/03/92/1059320392.db2.gz NPNXYSBGOKZTTA-QGZVFWFLSA-N 1 1 314.473 4.223 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCCCC2)C1 ZINC001559528436 1059326423 /nfs/dbraw/zinc/32/64/23/1059326423.db2.gz FAXCSGSJDZCKNZ-UHFFFAOYSA-N 1 1 313.401 4.013 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC2(CCCCC2)C1 ZINC001559528436 1059326441 /nfs/dbraw/zinc/32/64/41/1059326441.db2.gz FAXCSGSJDZCKNZ-UHFFFAOYSA-N 1 1 313.401 4.013 20 30 DIEDMO CC[C@@H](C)[C@H](C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530976 1059329425 /nfs/dbraw/zinc/32/94/25/1059329425.db2.gz IQQHVRXIMFDBPF-CVEARBPZSA-N 1 1 300.446 4.226 20 30 DIEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC001559538439 1059340682 /nfs/dbraw/zinc/34/06/82/1059340682.db2.gz YJXVOYAYNZOSTQ-AWEZNQCLSA-N 1 1 305.418 4.196 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)cc1C#N ZINC001559548094 1059355232 /nfs/dbraw/zinc/35/52/32/1059355232.db2.gz KPRXGBAVPFQCEN-OAQYLSRUSA-N 1 1 304.437 4.382 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555139 1059371278 /nfs/dbraw/zinc/37/12/78/1059371278.db2.gz SEGAOAUMEHTMHC-PXNSSMCTSA-N 1 1 304.437 4.439 20 30 DIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)c1 ZINC001559576682 1059407450 /nfs/dbraw/zinc/40/74/50/1059407450.db2.gz ITJHUAHKRWLKIU-IBGZPJMESA-N 1 1 312.457 4.028 20 30 DIEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001559584740 1059419089 /nfs/dbraw/zinc/41/90/89/1059419089.db2.gz VWIPSUJNWGXCRX-UHFFFAOYSA-N 1 1 310.482 4.064 20 30 DIEDMO CCC1(CC)[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C[C@@H]1OC ZINC001559612544 1059443090 /nfs/dbraw/zinc/44/30/90/1059443090.db2.gz VZEDGKVPSJFBQJ-SJORKVTESA-N 1 1 306.494 4.376 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001559612541 1059443372 /nfs/dbraw/zinc/44/33/72/1059443372.db2.gz VZEDGKVPSJFBQJ-DLBZAZTESA-N 1 1 306.494 4.376 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619043 1059447794 /nfs/dbraw/zinc/44/77/94/1059447794.db2.gz SRQYNLFHIXRYRI-ROUUACIJSA-N 1 1 318.436 4.113 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC(C)(C)C1 ZINC001559675658 1059503260 /nfs/dbraw/zinc/50/32/60/1059503260.db2.gz ODJWHSZUYLSVCQ-LBPRGKRZSA-N 1 1 321.262 4.189 20 30 DIEDMO C=CC[N@@H+](CCSCc1ccccc1)CCc1ccco1 ZINC001559689652 1059519382 /nfs/dbraw/zinc/51/93/82/1059519382.db2.gz UBOOSTHPPWQBSI-UHFFFAOYSA-N 1 1 301.455 4.244 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1 ZINC001559692004 1059520077 /nfs/dbraw/zinc/52/00/77/1059520077.db2.gz XDCCJMVFENQSID-INIZCTEOSA-N 1 1 305.780 4.288 20 30 DIEDMO CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001559691940 1059520347 /nfs/dbraw/zinc/52/03/47/1059520347.db2.gz VWFNVALEEJEMMP-HOTGVXAUSA-N 1 1 312.498 4.287 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCc1ccc(C#N)cc1)[C@@H]2C ZINC001559739327 1059569335 /nfs/dbraw/zinc/56/93/35/1059569335.db2.gz OAIPLZVEOVWJEN-JKSUJKDBSA-N 1 1 320.436 4.117 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001247622096 1059572813 /nfs/dbraw/zinc/57/28/13/1059572813.db2.gz FVSFGVXTBOIOQH-SECBINFHSA-N 1 1 316.163 4.149 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001247622122 1059573880 /nfs/dbraw/zinc/57/38/80/1059573880.db2.gz GHMHKDHWMWVHRM-INIZCTEOSA-N 1 1 321.380 4.495 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC001247623027 1059574331 /nfs/dbraw/zinc/57/43/31/1059574331.db2.gz VQNQKSJMVVPTOK-QGZVFWFLSA-N 1 1 321.380 4.495 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2)no1 ZINC001247638218 1059580623 /nfs/dbraw/zinc/58/06/23/1059580623.db2.gz JEHOEKLGFHDQSS-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C(C)=O)cc2)no1 ZINC001247639180 1059582222 /nfs/dbraw/zinc/58/22/22/1059582222.db2.gz GHOLEADOGYWUTL-INIZCTEOSA-N 1 1 313.401 4.076 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC001247638171 1059582630 /nfs/dbraw/zinc/58/26/30/1059582630.db2.gz HVABEHWCUMFRQJ-AWEZNQCLSA-N 1 1 307.344 4.151 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001247639293 1059583933 /nfs/dbraw/zinc/58/39/33/1059583933.db2.gz JSSPXAJHRQTYCC-HNNXBMFYSA-N 1 1 315.417 4.190 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001247638172 1059584099 /nfs/dbraw/zinc/58/40/99/1059584099.db2.gz HVGSZLKAPGVUAA-INIZCTEOSA-N 1 1 324.428 4.365 20 30 DIEDMO C#CCCCCCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC001559759692 1059592832 /nfs/dbraw/zinc/59/28/32/1059592832.db2.gz AJVQGRHHJBPRCD-LJQANCHMSA-N 1 1 323.484 4.332 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCOCc1ccccc1 ZINC001559781258 1059614982 /nfs/dbraw/zinc/61/49/82/1059614982.db2.gz AAPGTPFUQFGVCB-UHFFFAOYSA-N 1 1 322.452 4.214 20 30 DIEDMO N#CC1(CC[N@@H+]2CC[C@](F)(c3ccccc3)C2)CCCCC1 ZINC001559789776 1059625700 /nfs/dbraw/zinc/62/57/00/1059625700.db2.gz XYCMAYMZEUMFOT-LJQANCHMSA-N 1 1 300.421 4.421 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC(C)=C(Br)C1 ZINC001559793625 1059630352 /nfs/dbraw/zinc/63/03/52/1059630352.db2.gz VQIPWJYQDKLUDG-UHFFFAOYSA-N 1 1 319.246 4.050 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC(C)=C(Br)C1 ZINC001559793625 1059630365 /nfs/dbraw/zinc/63/03/65/1059630365.db2.gz VQIPWJYQDKLUDG-UHFFFAOYSA-N 1 1 319.246 4.050 20 30 DIEDMO C=CC[C@@H]1[N@H+](CCC(=O)Nc2cccc(F)c2)CCCC1(C)C ZINC001559796988 1059633261 /nfs/dbraw/zinc/63/32/61/1059633261.db2.gz CRSYRMDEURMCHL-KRWDZBQOSA-N 1 1 318.436 4.221 20 30 DIEDMO C=CCCCCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC001559822355 1059655338 /nfs/dbraw/zinc/65/53/38/1059655338.db2.gz LKWWFUIJGYWCNP-UHFFFAOYSA-N 1 1 309.457 4.103 20 30 DIEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2-c2ccc(C)cc2)no1 ZINC001247968124 1059657212 /nfs/dbraw/zinc/65/72/12/1059657212.db2.gz SSNAGUPWLNPILI-KRWDZBQOSA-N 1 1 305.381 4.288 20 30 DIEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911970 1059727978 /nfs/dbraw/zinc/72/79/78/1059727978.db2.gz QJISKVKAVZEGST-WOJBJXKFSA-N 1 1 305.425 4.111 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001559921855 1059735143 /nfs/dbraw/zinc/73/51/43/1059735143.db2.gz UJYMVXIFZUCZTN-RBUKOAKNSA-N 1 1 314.473 4.474 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001559930639 1059743928 /nfs/dbraw/zinc/74/39/28/1059743928.db2.gz BIKUOLYKGKHIRS-CYBMUJFWSA-N 1 1 309.800 4.276 20 30 DIEDMO CC(C)(C)C[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248189750 1059747148 /nfs/dbraw/zinc/74/71/48/1059747148.db2.gz IWRZOOWVFLDTRO-INIZCTEOSA-N 1 1 320.396 4.197 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)c(F)c2)C1 ZINC001559946908 1059760699 /nfs/dbraw/zinc/76/06/99/1059760699.db2.gz DOUPXVFZOUXFPT-INIZCTEOSA-N 1 1 309.384 4.463 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001559982939 1059788783 /nfs/dbraw/zinc/78/87/83/1059788783.db2.gz ANZRQHLMOPFQPJ-INIZCTEOSA-N 1 1 323.358 4.225 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@H](C)COC ZINC001559992437 1059798024 /nfs/dbraw/zinc/79/80/24/1059798024.db2.gz AFTXJAHKURKCQX-LLVKDONJSA-N 1 1 321.770 4.382 20 30 DIEDMO C=CCCCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC001559991198 1059798663 /nfs/dbraw/zinc/79/86/63/1059798663.db2.gz LUWTVCRVWSAAMO-SFHVURJKSA-N 1 1 315.457 4.284 20 30 DIEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC001560018571 1059828430 /nfs/dbraw/zinc/82/84/30/1059828430.db2.gz YMDFZECTYSTQRV-SWLSCSKDSA-N 1 1 321.262 4.474 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001560026796 1059843273 /nfs/dbraw/zinc/84/32/73/1059843273.db2.gz HANZKEABRVGGBA-KRWDZBQOSA-N 1 1 308.425 4.059 20 30 DIEDMO C[C@@H](CCc1ccccc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001560042012 1059854387 /nfs/dbraw/zinc/85/43/87/1059854387.db2.gz CMJHNUNUJJDCNE-KRWDZBQOSA-N 1 1 304.437 4.132 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC001560043369 1059857692 /nfs/dbraw/zinc/85/76/92/1059857692.db2.gz XEDSCESWKAZPPR-OAQYLSRUSA-N 1 1 321.464 4.353 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248520315 1059863103 /nfs/dbraw/zinc/86/31/03/1059863103.db2.gz QCOVBCBAJNRDEG-HNNXBMFYSA-N 1 1 310.828 4.247 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c3ccoc3ccc1F)C2 ZINC001248528027 1059865437 /nfs/dbraw/zinc/86/54/37/1059865437.db2.gz HHKHLCLNTLTYGC-UHFFFAOYSA-N 1 1 306.340 4.002 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c3ccoc3ccc1F)C2 ZINC001248528027 1059865453 /nfs/dbraw/zinc/86/54/53/1059865453.db2.gz HHKHLCLNTLTYGC-UHFFFAOYSA-N 1 1 306.340 4.002 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1N1CCCCC1 ZINC001560060165 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20 30 DIEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560138739 1059939531 /nfs/dbraw/zinc/93/95/31/1059939531.db2.gz PTCYLVUJVXNWSG-HNNXBMFYSA-N 1 1 312.498 4.192 20 30 DIEDMO Cc1ccc(C[N@@H+](CCCC(C)C)Cc2ccc(C#N)o2)o1 ZINC001560143105 1059945370 /nfs/dbraw/zinc/94/53/70/1059945370.db2.gz QNAFWPYFKQSOCK-UHFFFAOYSA-N 1 1 300.402 4.491 20 30 DIEDMO Cc1ccc(C[N@H+](CCCC(C)C)Cc2ccc(C#N)o2)o1 ZINC001560143105 1059945387 /nfs/dbraw/zinc/94/53/87/1059945387.db2.gz QNAFWPYFKQSOCK-UHFFFAOYSA-N 1 1 300.402 4.491 20 30 DIEDMO C#CC[N@H+](CC/C=C\c1ccc(Br)cc1)C(C)C ZINC001560164601 1059955355 /nfs/dbraw/zinc/95/53/55/1059955355.db2.gz FAIFOVFGHPZOKL-ALCCZGGFSA-N 1 1 306.247 4.196 20 30 DIEDMO C#CC[N@H+](Cc1c(C)cc(C)nc1OCc1ccccc1)C(C)C ZINC001560164647 1059959167 /nfs/dbraw/zinc/95/91/67/1059959167.db2.gz HAVINKZTLIHQPA-UHFFFAOYSA-N 1 1 322.452 4.121 20 30 DIEDMO C#CC[N@@H+](Cc1c(C)cc(C)nc1OCc1ccccc1)C(C)C ZINC001560164647 1059959186 /nfs/dbraw/zinc/95/91/86/1059959186.db2.gz 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C=CCCCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC001473318807 1061083327 /nfs/dbraw/zinc/08/33/27/1061083327.db2.gz YBRCWHLDGWJKFY-UHFFFAOYSA-N 1 1 308.263 4.472 20 30 DIEDMO CC[C@H]1CC[C@H](C)[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001473317975 1061083563 /nfs/dbraw/zinc/08/35/63/1061083563.db2.gz LBQIMWHRFYTBCW-ZFWWWQNUSA-N 1 1 311.347 4.200 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001473319493 1061084591 /nfs/dbraw/zinc/08/45/91/1061084591.db2.gz UXHHMGKKAFXMDU-WOJBJXKFSA-N 1 1 311.425 4.230 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001473341463 1061099505 /nfs/dbraw/zinc/09/95/05/1061099505.db2.gz BBLRRBQIPXTBJH-INIZCTEOSA-N 1 1 322.452 4.186 20 30 DIEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)Cc2ccccc21 ZINC001473344316 1061102963 /nfs/dbraw/zinc/10/29/63/1061102963.db2.gz MHBGLDYBAVKCBT-UHFFFAOYSA-N 1 1 320.436 4.121 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC001473369462 1061116323 /nfs/dbraw/zinc/11/63/23/1061116323.db2.gz RUJNDDRTIMZGKT-IBGZPJMESA-N 1 1 316.489 4.219 20 30 DIEDMO CCCCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC001473369462 1061116333 /nfs/dbraw/zinc/11/63/33/1061116333.db2.gz RUJNDDRTIMZGKT-IBGZPJMESA-N 1 1 316.489 4.219 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)cc1 ZINC001473375731 1061118538 /nfs/dbraw/zinc/11/85/38/1061118538.db2.gz NZDRVXFSENSUSZ-LJQANCHMSA-N 1 1 309.840 4.489 20 30 DIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473378275 1061122089 /nfs/dbraw/zinc/12/20/89/1061122089.db2.gz AGXIXFDNLHSDFX-GDNBJRDFSA-N 1 1 321.380 4.002 20 30 DIEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473378275 1061122097 /nfs/dbraw/zinc/12/20/97/1061122097.db2.gz AGXIXFDNLHSDFX-GDNBJRDFSA-N 1 1 321.380 4.002 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473378276 1061122573 /nfs/dbraw/zinc/12/25/73/1061122573.db2.gz AGXIXFDNLHSDFX-XNTDXEJSSA-N 1 1 321.380 4.002 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001473378276 1061122592 /nfs/dbraw/zinc/12/25/92/1061122592.db2.gz AGXIXFDNLHSDFX-XNTDXEJSSA-N 1 1 321.380 4.002 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C ZINC001473382899 1061124634 /nfs/dbraw/zinc/12/46/34/1061124634.db2.gz DGBSHOQXQUVNBT-LPHOPBHVSA-N 1 1 300.446 4.228 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC001473383671 1061126836 /nfs/dbraw/zinc/12/68/36/1061126836.db2.gz GMKLMQOPLPBALS-LBPRGKRZSA-N 1 1 321.336 4.063 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366077 1061130201 /nfs/dbraw/zinc/13/02/01/1061130201.db2.gz VSAXZMNMUFINBP-CABCVRRESA-N 1 1 306.409 4.075 20 30 DIEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(Cl)ccc1Cl ZINC001473405144 1061138716 /nfs/dbraw/zinc/13/87/16/1061138716.db2.gz WFGJGWZUNXUNKC-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413143 1061158059 /nfs/dbraw/zinc/15/80/59/1061158059.db2.gz JKINNXPSAHHVRA-CQSZACIVSA-N 1 1 321.486 4.492 20 30 DIEDMO C=C(C)C[N@H+](CC(=O)Nc1cccc(C)c1)Cc1ccccc1 ZINC001473444598 1061162352 /nfs/dbraw/zinc/16/23/52/1061162352.db2.gz XAFIIYUYBWQVCW-UHFFFAOYSA-N 1 1 308.425 4.012 20 30 DIEDMO C=C(C)C[N@@H+](CC(=O)Nc1cccc(C)c1)Cc1ccccc1 ZINC001473444598 1061162363 /nfs/dbraw/zinc/16/23/63/1061162363.db2.gz XAFIIYUYBWQVCW-UHFFFAOYSA-N 1 1 308.425 4.012 20 30 DIEDMO C=C(Br)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC001473452107 1061167994 /nfs/dbraw/zinc/16/79/94/1061167994.db2.gz KIBHDEYULXGYOJ-XHSDSOJGSA-N 1 1 306.247 4.163 20 30 DIEDMO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(C#N)c1 ZINC001462431680 1061169412 /nfs/dbraw/zinc/16/94/12/1061169412.db2.gz YUOSSNPPZAHBKX-UHFFFAOYSA-N 1 1 318.779 4.081 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)C1CC1 ZINC001473482138 1061185647 /nfs/dbraw/zinc/18/56/47/1061185647.db2.gz QPISDFMYRMAEII-UHFFFAOYSA-N 1 1 309.384 4.002 20 30 DIEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1(C)C ZINC001473542698 1061239149 /nfs/dbraw/zinc/23/91/49/1061239149.db2.gz XWZMFHOFWXSGHL-KRWDZBQOSA-N 1 1 314.473 4.474 20 30 DIEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579001 1061265303 /nfs/dbraw/zinc/26/53/03/1061265303.db2.gz WCHWYRYNOLUFRK-IRXDYDNUSA-N 1 1 300.421 4.346 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628055 1061303991 /nfs/dbraw/zinc/30/39/91/1061303991.db2.gz ZALQPGWDGSGRHK-CABCVRRESA-N 1 1 320.864 4.264 20 30 DIEDMO C=CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H](C)COC ZINC001473637597 1061307167 /nfs/dbraw/zinc/30/71/67/1061307167.db2.gz UJYMMGNQCUFLTO-CYBMUJFWSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462637480 1061309330 /nfs/dbraw/zinc/30/93/30/1061309330.db2.gz WRTNXOIXJGINQK-UHFFFAOYSA-N 1 1 316.323 4.402 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC001473658435 1061320392 /nfs/dbraw/zinc/32/03/92/1061320392.db2.gz CCGBMNLFTGLDEW-UHFFFAOYSA-N 1 1 321.424 4.042 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC001473658435 1061320404 /nfs/dbraw/zinc/32/04/04/1061320404.db2.gz CCGBMNLFTGLDEW-UHFFFAOYSA-N 1 1 321.424 4.042 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC001473661694 1061326433 /nfs/dbraw/zinc/32/64/33/1061326433.db2.gz AIMQXWUEQARASA-IBGZPJMESA-N 1 1 312.457 4.372 20 30 DIEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687646 1061344293 /nfs/dbraw/zinc/34/42/93/1061344293.db2.gz HTRMKUKUSMKFQU-BAABZTOOSA-N 1 1 320.383 4.338 20 30 DIEDMO C[C@@H](C[N@@H+](C)CCOc1ccccc1C#N)C1CCCCC1 ZINC001473707266 1061362066 /nfs/dbraw/zinc/36/20/66/1061362066.db2.gz SRRYBKZXRYEWSF-INIZCTEOSA-N 1 1 300.446 4.085 20 30 DIEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)c1 ZINC001473734023 1061381580 /nfs/dbraw/zinc/38/15/80/1061381580.db2.gz MBCOSVZZOSEGDO-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)c1 ZINC001473734023 1061381599 /nfs/dbraw/zinc/38/15/99/1061381599.db2.gz MBCOSVZZOSEGDO-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797272 1061410356 /nfs/dbraw/zinc/41/03/56/1061410356.db2.gz MWVPQYPPEAHNPH-LJQANCHMSA-N 1 1 322.493 4.066 20 30 DIEDMO C=CC[C@@H](C)[N@H+]1CCCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797983 1061410551 /nfs/dbraw/zinc/41/05/51/1061410551.db2.gz STXJYUFHFAYLLB-VQIMIIECSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001473853869 1061434273 /nfs/dbraw/zinc/43/42/73/1061434273.db2.gz CGLAHJFJOZKNOT-LJQANCHMSA-N 1 1 314.473 4.003 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855561 1061434376 /nfs/dbraw/zinc/43/43/76/1061434376.db2.gz WAJFTJODWKXUPC-HNNXBMFYSA-N 1 1 317.820 4.321 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001473857050 1061434811 /nfs/dbraw/zinc/43/48/11/1061434811.db2.gz BBIAOIYHDVXEGW-QLFBSQMISA-N 1 1 317.395 4.355 20 30 DIEDMO C=C(C)CC[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001473857500 1061437399 /nfs/dbraw/zinc/43/73/99/1061437399.db2.gz UNCWVJADDSNNHO-UHFFFAOYSA-N 1 1 316.445 4.358 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccccc1OCC(F)(F)F ZINC001473861646 1061437828 /nfs/dbraw/zinc/43/78/28/1061437828.db2.gz FUQVPCNBJNCYIC-UHFFFAOYSA-N 1 1 301.352 4.416 20 30 DIEDMO C[N@H+](CCC1(C#N)CCCCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC001473869106 1061441676 /nfs/dbraw/zinc/44/16/76/1061441676.db2.gz RTYJQYAJDJHXEU-UHFFFAOYSA-N 1 1 322.456 4.373 20 30 DIEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC001473869106 1061441689 /nfs/dbraw/zinc/44/16/89/1061441689.db2.gz RTYJQYAJDJHXEU-UHFFFAOYSA-N 1 1 322.456 4.373 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001457738108 1061493492 /nfs/dbraw/zinc/49/34/92/1061493492.db2.gz NWJXCCQJBRACMU-RBUKOAKNSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001463562911 1061497659 /nfs/dbraw/zinc/49/76/59/1061497659.db2.gz SUVRMKONIKTYMX-KRWDZBQOSA-N 1 1 324.896 4.419 20 30 DIEDMO C=C1CC(C)(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)C1 ZINC001464239767 1061568149 /nfs/dbraw/zinc/56/81/49/1061568149.db2.gz RFHBBBFBBQRKOM-MRXNPFEDSA-N 1 1 312.457 4.356 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001252122486 1061580542 /nfs/dbraw/zinc/58/05/42/1061580542.db2.gz WJQPGIKQJQVHNJ-FUHWJXTLSA-N 1 1 308.466 4.231 20 30 DIEDMO C=C[C@](C)(O)C[N@@H+]1CC=C(c2cc(Cl)cc(Cl)c2)CC1 ZINC001252541871 1061660483 /nfs/dbraw/zinc/66/04/83/1061660483.db2.gz VFFZTVPRZZUEAI-INIZCTEOSA-N 1 1 312.240 4.020 20 30 DIEDMO C=C[C@](C)(O)C[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1 ZINC001252556407 1061664200 /nfs/dbraw/zinc/66/42/00/1061664200.db2.gz DGCMRZYRJQGKCB-NRFANRHFSA-N 1 1 320.436 4.107 20 30 DIEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001252560061 1061664749 /nfs/dbraw/zinc/66/47/49/1061664749.db2.gz MRKILQRVZNTTEL-OAQYLSRUSA-N 1 1 305.421 4.362 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252601748 1061672284 /nfs/dbraw/zinc/67/22/84/1061672284.db2.gz DSPRRNKSWDOVOJ-NRFANRHFSA-N 1 1 323.480 4.468 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252601749 1061673810 /nfs/dbraw/zinc/67/38/10/1061673810.db2.gz DSPRRNKSWDOVOJ-OAQYLSRUSA-N 1 1 323.480 4.468 20 30 DIEDMO Cc1cc(C#N)cc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 ZINC001458300567 1061683438 /nfs/dbraw/zinc/68/34/38/1061683438.db2.gz FPGKNUGCEWYDFY-UHFFFAOYSA-N 1 1 319.412 4.190 20 30 DIEDMO CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252790408 1061719410 /nfs/dbraw/zinc/71/94/10/1061719410.db2.gz ZZZZMUGCVIKXRU-UTKZUKDTSA-N 1 1 322.452 4.282 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252979927 1061769018 /nfs/dbraw/zinc/76/90/18/1061769018.db2.gz PIXATLWRWBKQDA-FHWLQOOXSA-N 1 1 313.526 4.113 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001252982345 1061772228 /nfs/dbraw/zinc/77/22/28/1061772228.db2.gz CACDZZTUFITLTQ-HXUWFJFHSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC001252980688 1061773111 /nfs/dbraw/zinc/77/31/11/1061773111.db2.gz YAEYSZVFQIKYIA-IBGZPJMESA-N 1 1 313.526 4.237 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCc2ncsc2C1 ZINC001252985669 1061776245 /nfs/dbraw/zinc/77/62/45/1061776245.db2.gz OUPKCXOJVIXIGM-MRXNPFEDSA-N 1 1 324.534 4.393 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001252986946 1061776366 /nfs/dbraw/zinc/77/63/66/1061776366.db2.gz YNOQXEOVIQRMGK-RTBURBONSA-N 1 1 311.510 4.133 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001253239881 1061836969 /nfs/dbraw/zinc/83/69/69/1061836969.db2.gz VBCJDORXQIAEEP-PMACEKPBSA-N 1 1 316.489 4.496 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001253239134 1061837615 /nfs/dbraw/zinc/83/76/15/1061837615.db2.gz KOKSGUCCKKOPCN-OALUTQOASA-N 1 1 316.489 4.149 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001253233876 1061838075 /nfs/dbraw/zinc/83/80/75/1061838075.db2.gz PJHDXYZKWZDAEL-JKSUJKDBSA-N 1 1 303.437 4.241 20 30 DIEDMO C=CCCCCCC[C@H](O)C[NH+]1CCN(CCCCCC)CC1 ZINC001253240125 1061838178 /nfs/dbraw/zinc/83/81/78/1061838178.db2.gz ZQLWZJKTWRVWBG-FQEVSTJZSA-N 1 1 324.553 4.072 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC001253234892 1061838904 /nfs/dbraw/zinc/83/89/04/1061838904.db2.gz GQFBQOAWRXGQKN-SFHVURJKSA-N 1 1 305.462 4.015 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001253243295 1061842224 /nfs/dbraw/zinc/84/22/24/1061842224.db2.gz UDRXQGLSINYGSX-ROUUACIJSA-N 1 1 321.505 4.098 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001253563425 1061927910 /nfs/dbraw/zinc/92/79/10/1061927910.db2.gz FRSHNKXCDGWMAV-UFYCRDLUSA-N 1 1 324.553 4.047 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001253563425 1061927936 /nfs/dbraw/zinc/92/79/36/1061927936.db2.gz FRSHNKXCDGWMAV-UFYCRDLUSA-N 1 1 324.553 4.047 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001253563425 1061927964 /nfs/dbraw/zinc/92/79/64/1061927964.db2.gz FRSHNKXCDGWMAV-UFYCRDLUSA-N 1 1 324.553 4.047 20 30 DIEDMO C=C[C@H](O)C[N@H+]1CCCC[C@H]1C(c1ccccc1)c1ccccc1 ZINC001253578394 1061932112 /nfs/dbraw/zinc/93/21/12/1061932112.db2.gz AJGKHRCOTOZIIK-SFTDATJTSA-N 1 1 321.464 4.220 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)CCCc1ccc2c(c1)CCO2 ZINC001474339052 1061936469 /nfs/dbraw/zinc/93/64/69/1061936469.db2.gz BEMACMTUYVYKDY-UHFFFAOYSA-N 1 1 314.473 4.206 20 30 DIEDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001253768033 1061978897 /nfs/dbraw/zinc/97/88/97/1061978897.db2.gz QMJRALXMJVOKQU-UWJYYQICSA-N 1 1 322.452 4.138 20 30 DIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)c(C)c1 ZINC001474358267 1061979565 /nfs/dbraw/zinc/97/95/65/1061979565.db2.gz OKKFRNPTGDTKFV-UHFFFAOYSA-N 1 1 310.416 4.461 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)c1cccc(OC)c1 ZINC001474376569 1062017924 /nfs/dbraw/zinc/01/79/24/1062017924.db2.gz OCUQYHDVTNIPNC-MRXNPFEDSA-N 1 1 308.425 4.458 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCCC1 ZINC001459306066 1062076522 /nfs/dbraw/zinc/07/65/22/1062076522.db2.gz GBAFBNKJNMRMRI-UHFFFAOYSA-N 1 1 308.372 4.314 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc2ccccc21 ZINC001459312707 1062079348 /nfs/dbraw/zinc/07/93/48/1062079348.db2.gz FHTJVABUFMKEHJ-UHFFFAOYSA-N 1 1 303.380 4.462 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC001459311516 1062079996 /nfs/dbraw/zinc/07/99/96/1062079996.db2.gz JLLFJOUUAIBNMR-IBGZPJMESA-N 1 1 312.457 4.262 20 30 DIEDMO CC1(C)CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254355328 1062083741 /nfs/dbraw/zinc/08/37/41/1062083741.db2.gz CWQCZPYUSWKRQE-UHFFFAOYSA-N 1 1 300.421 4.262 20 30 DIEDMO CC1CC([N@@H+](C)C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353158 1062085348 /nfs/dbraw/zinc/08/53/48/1062085348.db2.gz SHFODJLKOFVOMM-UHFFFAOYSA-N 1 1 300.421 4.260 20 30 DIEDMO C[N@@H+](Cc1ccccn1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353150 1062085952 /nfs/dbraw/zinc/08/59/52/1062085952.db2.gz RWOSRWIWMVCQEB-UHFFFAOYSA-N 1 1 323.415 4.057 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC001254385304 1062092418 /nfs/dbraw/zinc/09/24/18/1062092418.db2.gz COJWVXDWFWKUEW-UTKZUKDTSA-N 1 1 320.436 4.300 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001459333672 1062093081 /nfs/dbraw/zinc/09/30/81/1062093081.db2.gz KLLYERJRVRBKJK-NRFANRHFSA-N 1 1 304.437 4.464 20 30 DIEDMO C#Cc1cccc(N[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001474423635 1062098818 /nfs/dbraw/zinc/09/88/18/1062098818.db2.gz KVNZBANKJSBYGA-IFMALSPDSA-N 1 1 316.448 4.448 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC001459353855 1062107664 /nfs/dbraw/zinc/10/76/64/1062107664.db2.gz WGPUYVRUZGRUKW-LAUBAEHRSA-N 1 1 320.436 4.137 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1Br)C(C)C ZINC001459360503 1062111689 /nfs/dbraw/zinc/11/16/89/1062111689.db2.gz DGRASVLVTKEEJC-UHFFFAOYSA-N 1 1 302.643 4.499 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Cl)cc1Br)C(C)C ZINC001459360503 1062111677 /nfs/dbraw/zinc/11/16/77/1062111677.db2.gz DGRASVLVTKEEJC-UHFFFAOYSA-N 1 1 302.643 4.499 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1Br)[C@H](C)CCC#N ZINC001459383835 1062119896 /nfs/dbraw/zinc/11/98/96/1062119896.db2.gz VGPVTVGHWDEJDC-CYBMUJFWSA-N 1 1 309.251 4.353 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)c(C)c3)CCO2)cc1 ZINC001474444791 1062123205 /nfs/dbraw/zinc/12/32/05/1062123205.db2.gz TZYDJKOFADOGQL-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)c(C)c3)CCO2)cc1 ZINC001474444791 1062123219 /nfs/dbraw/zinc/12/32/19/1062123219.db2.gz TZYDJKOFADOGQL-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459467148 1062153802 /nfs/dbraw/zinc/15/38/02/1062153802.db2.gz NIVVXSGZTRZMBS-OAQYLSRUSA-N 1 1 304.437 4.154 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459467136 1062154731 /nfs/dbraw/zinc/15/47/31/1062154731.db2.gz NIVVXSGZTRZMBS-NRFANRHFSA-N 1 1 304.437 4.154 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Br)n1)CC1CCCCC1 ZINC001459475597 1062158051 /nfs/dbraw/zinc/15/80/51/1062158051.db2.gz ARRZCXIBFQILOL-UHFFFAOYSA-N 1 1 323.278 4.412 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001467644701 1062172738 /nfs/dbraw/zinc/17/27/38/1062172738.db2.gz OSMKOVUZBXTISO-MSOLQXFVSA-N 1 1 310.526 4.316 20 30 DIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001459520307 1062178880 /nfs/dbraw/zinc/17/88/80/1062178880.db2.gz JCIYLBLRIJPNEU-NVXWUHKLSA-N 1 1 323.358 4.201 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1C[C@@H](C)CCC#N ZINC001474514561 1062197153 /nfs/dbraw/zinc/19/71/53/1062197153.db2.gz AGOKXRIOWLYFAM-JZXOWHBKSA-N 1 1 300.446 4.408 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459577851 1062219615 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324.346 4.414 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677868 1062230458 /nfs/dbraw/zinc/23/04/58/1062230458.db2.gz XCWNLTXSMDCXAU-XNRPHZJLSA-N 1 1 324.346 4.414 20 30 DIEDMO C=CC[N@H+]([C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(C)(C)C ZINC001254787390 1062251187 /nfs/dbraw/zinc/25/11/87/1062251187.db2.gz WUPJQLCOWQAFSQ-HNNXBMFYSA-N 1 1 322.493 4.063 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001459633388 1062266825 /nfs/dbraw/zinc/26/68/25/1062266825.db2.gz KAHYFSHKCRSTMY-UHFFFAOYSA-N 1 1 312.498 4.216 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673581 1062294976 /nfs/dbraw/zinc/29/49/76/1062294976.db2.gz VMCBACXNKMUBTH-KXBFYZLASA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@@H]1c1ccccc1 ZINC001459673567 1062295088 /nfs/dbraw/zinc/29/50/88/1062295088.db2.gz VMCBACXNKMUBTH-BEFAXECRSA-N 1 1 308.400 4.323 20 30 DIEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001459692398 1062312128 /nfs/dbraw/zinc/31/21/28/1062312128.db2.gz CSPSPCZLNWCCPX-QZTJIDSGSA-N 1 1 319.876 4.217 20 30 DIEDMO C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCCCC1 ZINC001255136029 1062331883 /nfs/dbraw/zinc/33/18/83/1062331883.db2.gz LQILGALFCGTBDR-MZADTFQBSA-N 1 1 322.496 4.108 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001474619030 1062337324 /nfs/dbraw/zinc/33/73/24/1062337324.db2.gz LNJKKXFCLYFAHH-QZFKAFNDSA-N 1 1 300.402 4.286 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC001474619126 1062337715 /nfs/dbraw/zinc/33/77/15/1062337715.db2.gz NVRQMSCTETYHMS-KRWDZBQOSA-N 1 1 309.457 4.184 20 30 DIEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733787 1062345730 /nfs/dbraw/zinc/34/57/30/1062345730.db2.gz KXJMHYFLCMGLGU-RTBURBONSA-N 1 1 314.473 4.168 20 30 DIEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001255152815 1062346403 /nfs/dbraw/zinc/34/64/03/1062346403.db2.gz CUXQVPVAIQIINW-HIFRSBDPSA-N 1 1 317.433 4.376 20 30 DIEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001255164559 1062347756 /nfs/dbraw/zinc/34/77/56/1062347756.db2.gz OGBSLLIXQJVGMB-DZGCQCFKSA-N 1 1 317.433 4.376 20 30 DIEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001255164562 1062348211 /nfs/dbraw/zinc/34/82/11/1062348211.db2.gz OGBSLLIXQJVGMB-ZFWWWQNUSA-N 1 1 317.433 4.376 20 30 DIEDMO CCCCCCC[N@@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255207879 1062355076 /nfs/dbraw/zinc/35/50/76/1062355076.db2.gz MZJDJKUVEXWLDN-PIIMJCKOSA-N 1 1 324.509 4.431 20 30 DIEDMO CCCCCCCC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255210214 1062357316 /nfs/dbraw/zinc/35/73/16/1062357316.db2.gz ZGAYRKRQTVYEHA-PIIMJCKOSA-N 1 1 324.509 4.431 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C1(CC)CC ZINC001459748162 1062359387 /nfs/dbraw/zinc/35/93/87/1062359387.db2.gz KPTGOKGBLACYOJ-RBUKOAKNSA-N 1 1 314.473 4.282 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001459760471 1062369181 /nfs/dbraw/zinc/36/91/81/1062369181.db2.gz MSZVOUVZNZBLHA-JSGCOSHPSA-N 1 1 312.240 4.248 20 30 DIEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001459771093 1062382488 /nfs/dbraw/zinc/38/24/88/1062382488.db2.gz KGLNUOPCSFHMMI-OAHLLOKOSA-N 1 1 322.399 4.418 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cc1Cl ZINC001474654717 1062387796 /nfs/dbraw/zinc/38/77/96/1062387796.db2.gz LYBJIIBNZOCFEQ-UHFFFAOYSA-N 1 1 310.828 4.273 20 30 DIEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1Cl ZINC001474654717 1062387810 /nfs/dbraw/zinc/38/78/10/1062387810.db2.gz LYBJIIBNZOCFEQ-UHFFFAOYSA-N 1 1 310.828 4.273 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3OC)CC2)cc1 ZINC001474678932 1062410356 /nfs/dbraw/zinc/41/03/56/1062410356.db2.gz BLVPEXXZIBYSLL-HXUWFJFHSA-N 1 1 319.448 4.446 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]2CCCC[C@@H]12 ZINC001459805585 1062412265 /nfs/dbraw/zinc/41/22/65/1062412265.db2.gz GZRNOMMIQYJYIL-KCXAZCMYSA-N 1 1 320.383 4.170 20 30 DIEDMO N#Cc1ccc(C[N@@H+](CCOC2CCCCCC2)C2CC2)cc1 ZINC001459816790 1062422822 /nfs/dbraw/zinc/42/28/22/1062422822.db2.gz FVQBLFCBGVJCRI-UHFFFAOYSA-N 1 1 312.457 4.262 20 30 DIEDMO C#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001474730971 1062452227 /nfs/dbraw/zinc/45/22/27/1062452227.db2.gz AZTRPMAGSSNMPK-SFHVURJKSA-N 1 1 324.855 4.398 20 30 DIEDMO Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1C#N ZINC001459884500 1062471704 /nfs/dbraw/zinc/47/17/04/1062471704.db2.gz UFUHXFHNRCAKER-UHFFFAOYSA-N 1 1 313.404 4.028 20 30 DIEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001459892935 1062477903 /nfs/dbraw/zinc/47/79/03/1062477903.db2.gz RTVYZHPVBCQJHE-SJORKVTESA-N 1 1 324.509 4.358 20 30 DIEDMO CC1(C)C[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001255544414 1062479834 /nfs/dbraw/zinc/47/98/34/1062479834.db2.gz AXXSIYIVTHDGPY-INIZCTEOSA-N 1 1 306.837 4.013 20 30 DIEDMO CC1(C)C[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CCO1 ZINC001255544414 1062479840 /nfs/dbraw/zinc/47/98/40/1062479840.db2.gz AXXSIYIVTHDGPY-INIZCTEOSA-N 1 1 306.837 4.013 20 30 DIEDMO CCC1(CC)C[N@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC001459901273 1062484792 /nfs/dbraw/zinc/48/47/92/1062484792.db2.gz NGNOCRAGVRYTDB-UHFFFAOYSA-N 1 1 308.878 4.319 20 30 DIEDMO CCC1(CC)C[N@@H+](Cc2ccc(Cl)cc2C#N)CCS1 ZINC001459901273 1062484801 /nfs/dbraw/zinc/48/48/01/1062484801.db2.gz NGNOCRAGVRYTDB-UHFFFAOYSA-N 1 1 308.878 4.319 20 30 DIEDMO COC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001255582538 1062486626 /nfs/dbraw/zinc/48/66/26/1062486626.db2.gz WRJXAEBRPQLITD-SJORKVTESA-N 1 1 308.425 4.156 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]2C ZINC001459928899 1062499712 /nfs/dbraw/zinc/49/97/12/1062499712.db2.gz KAFGDFMLZSSXPY-KBPBESRZSA-N 1 1 324.399 4.214 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]2C ZINC001459928899 1062499732 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CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001473117591 1063419212 /nfs/dbraw/zinc/41/92/12/1063419212.db2.gz LZGNEZISNADGMD-LZJOCLMNSA-N 1 1 322.452 4.106 20 30 DIEDMO CC(C)C[N@@H+](CCc1ccccc1)CCc1ccc(C#N)cc1 ZINC001473122480 1063426762 /nfs/dbraw/zinc/42/67/62/1063426762.db2.gz DDVXZGSFIUOCFX-UHFFFAOYSA-N 1 1 306.453 4.301 20 30 DIEDMO C=C1C[C@@H]2CC(N3CC[NH+](C4CCCCC4)CC3)C[C@H](C1)C2 ZINC001257891903 1063430907 /nfs/dbraw/zinc/43/09/07/1063430907.db2.gz QOZWEOYXVJUFGB-UFRUDQCGSA-N 1 1 302.506 4.072 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001473137015 1063443592 /nfs/dbraw/zinc/44/35/92/1063443592.db2.gz NCLGNFXZZLYTOP-UHFFFAOYSA-N 1 1 310.397 4.134 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 ZINC001473136788 1063444101 /nfs/dbraw/zinc/44/41/01/1063444101.db2.gz JLDZWHHTQKAQOY-IBGZPJMESA-N 1 1 315.844 4.104 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(F)F)cc1 ZINC001473137789 1063444891 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C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(Br)cc2C#N)C1 ZINC001473171965 1063476675 /nfs/dbraw/zinc/47/66/75/1063476675.db2.gz BCOCXMBJLFIWBF-OLZOCXBDSA-N 1 1 321.262 4.331 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001258046460 1063478385 /nfs/dbraw/zinc/47/83/85/1063478385.db2.gz BHAHLNGJJOKKMM-MJGOQNOKSA-N 1 1 308.510 4.070 20 30 DIEDMO Cn1c2ccc(NCc3csc(C#N)c3)cc2[nH+]c1C(C)(C)C ZINC001461412842 1063481330 /nfs/dbraw/zinc/48/13/30/1063481330.db2.gz UOQFRAVXZRUABJ-UHFFFAOYSA-N 1 1 324.453 4.416 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001473176369 1063483431 /nfs/dbraw/zinc/48/34/31/1063483431.db2.gz VPKYMUKIRJBUJK-RTBURBONSA-N 1 1 314.473 4.282 20 30 DIEDMO CCCCCCCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001473183425 1063489646 /nfs/dbraw/zinc/48/96/46/1063489646.db2.gz YZIHUKCUGDMXNZ-UHFFFAOYSA-N 1 1 300.450 4.060 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001473183425 1063489654 /nfs/dbraw/zinc/48/96/54/1063489654.db2.gz YZIHUKCUGDMXNZ-UHFFFAOYSA-N 1 1 300.450 4.060 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001473184649 1063492988 /nfs/dbraw/zinc/49/29/88/1063492988.db2.gz LFTVUYHTGOUIIA-LJQANCHMSA-N 1 1 316.489 4.241 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258069427 1063497621 /nfs/dbraw/zinc/49/76/21/1063497621.db2.gz HYTVHYDCQNJVLP-LWYYNNOASA-N 1 1 323.521 4.273 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)cc1 ZINC001461493982 1063536091 /nfs/dbraw/zinc/53/60/91/1063536091.db2.gz KVJPTAGVYLYQSV-UHFFFAOYSA-N 1 1 323.770 4.473 20 30 DIEDMO C=CC(C)(C)CC(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001546125065 1063557417 /nfs/dbraw/zinc/55/74/17/1063557417.db2.gz TYDDPPKLAJRWEZ-UHFFFAOYSA-N 1 1 322.537 4.195 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258227865 1063568284 /nfs/dbraw/zinc/56/82/84/1063568284.db2.gz BLBIYVFOKQSERX-CVEARBPZSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCCCC[C@@H](C)N1CC[NH+](CCCOC)CC1 ZINC001258229115 1063568826 /nfs/dbraw/zinc/56/88/26/1063568826.db2.gz MBUFKXPPYIJDAC-LJQANCHMSA-N 1 1 312.542 4.170 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232382 1063571200 /nfs/dbraw/zinc/57/12/00/1063571200.db2.gz PNDGXNWBJJMBBD-OTWHNJEPSA-N 1 1 322.537 4.458 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CCCC(C)(C)C1)CCO2 ZINC001258291829 1063588839 /nfs/dbraw/zinc/58/88/39/1063588839.db2.gz PUHUQSWJGASHOF-NLWGTHIKSA-N 1 1 321.505 4.029 20 30 DIEDMO C#C[C@H]1CCC[N@H+]([C@H](C)CC(C)(C)SCc2ccco2)C1 ZINC001258314300 1063605420 /nfs/dbraw/zinc/60/54/20/1063605420.db2.gz RXRADNDYQZNPMO-CVEARBPZSA-N 1 1 305.487 4.415 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](CC)CCCCC)C2 ZINC001258441965 1063656249 /nfs/dbraw/zinc/65/62/49/1063656249.db2.gz VDJMAERFVOWAFV-CEXWTWQISA-N 1 1 309.494 4.171 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001461862254 1063755441 /nfs/dbraw/zinc/75/54/41/1063755441.db2.gz CBTKHMUKBKIBRR-HSZRJFAPSA-N 1 1 315.460 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ZINC000285733833 131197573 /nfs/dbraw/zinc/19/75/73/131197573.db2.gz QWOTYSSPCICRAV-ZBEGNZNMSA-N 1 1 301.340 4.033 20 30 DIEDMO N#CC1(CC[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CCCCC1 ZINC000425551398 335082221 /nfs/dbraw/zinc/08/22/21/335082221.db2.gz JKFJYNWUSSFZCJ-SFHVURJKSA-N 1 1 316.489 4.132 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2oc(CC)nc2C)cc1Cl ZINC000291707694 335083276 /nfs/dbraw/zinc/08/32/76/335083276.db2.gz LAUCYTWEJLHOOO-UHFFFAOYSA-N 1 1 320.820 4.053 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc(Br)cs1 ZINC000087608593 332034525 /nfs/dbraw/zinc/03/45/25/332034525.db2.gz ILHBUGNJJOBSJS-UHFFFAOYSA-N 1 1 315.280 4.272 20 30 DIEDMO C=CCCCCCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000570896309 332837081 /nfs/dbraw/zinc/83/70/81/332837081.db2.gz SBXIETFFMXAXCU-QGZVFWFLSA-N 1 1 302.462 4.238 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(Cl)c1Cl ZINC000558236386 331886101 /nfs/dbraw/zinc/88/61/01/331886101.db2.gz WDCGAZSRYHEQNL-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1OC(F)F ZINC000409447234 332031640 /nfs/dbraw/zinc/03/16/40/332031640.db2.gz YYVXEMJAZPHUSL-LBPRGKRZSA-N 1 1 302.324 4.010 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1cc2ccccc2o1 ZINC000518467329 332057464 /nfs/dbraw/zinc/05/74/64/332057464.db2.gz ZTEYGSOWEVNHLU-AWEZNQCLSA-N 1 1 305.381 4.283 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1nc2ccccc2n1C ZINC000091401873 332105280 /nfs/dbraw/zinc/10/52/80/332105280.db2.gz VRBSYLMUFMDIFC-DOTOQJQBSA-N 1 1 318.424 4.269 20 30 DIEDMO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccccc1 ZINC000092261681 332122392 /nfs/dbraw/zinc/12/23/92/332122392.db2.gz NDFLBTMHJATQCR-UHFFFAOYSA-N 1 1 321.449 4.393 20 30 DIEDMO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)Cc1ccccc1 ZINC000092261681 332122393 /nfs/dbraw/zinc/12/23/93/332122393.db2.gz NDFLBTMHJATQCR-UHFFFAOYSA-N 1 1 321.449 4.393 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000181291364 332189640 /nfs/dbraw/zinc/18/96/40/332189640.db2.gz XXQRXHAGQGDPSX-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2cccc(Br)c2)o1 ZINC000181291364 332189641 /nfs/dbraw/zinc/18/96/41/332189641.db2.gz XXQRXHAGQGDPSX-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000181287157 332189943 /nfs/dbraw/zinc/18/99/43/332189943.db2.gz JQIYDDUIALRKJN-MRXNPFEDSA-N 1 1 308.425 4.189 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000181287157 332189945 /nfs/dbraw/zinc/18/99/45/332189945.db2.gz JQIYDDUIALRKJN-MRXNPFEDSA-N 1 1 308.425 4.189 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000181315151 332190950 /nfs/dbraw/zinc/19/09/50/332190950.db2.gz PDGXMHAOQQXQJA-UHFFFAOYSA-N 1 1 310.319 4.368 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000181315151 332190952 /nfs/dbraw/zinc/19/09/52/332190952.db2.gz PDGXMHAOQQXQJA-UHFFFAOYSA-N 1 1 310.319 4.368 20 30 DIEDMO C=CCOc1cccc(C[NH2+][C@@](C)(CC)c2nccs2)c1 ZINC000152668624 332313442 /nfs/dbraw/zinc/31/34/42/332313442.db2.gz NSXMWONDDONFFL-KRWDZBQOSA-N 1 1 302.443 4.123 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000114472577 332327676 /nfs/dbraw/zinc/32/76/76/332327676.db2.gz KWTAZQYAFVIXCC-MRXNPFEDSA-N 1 1 310.445 4.100 20 30 DIEDMO COc1ccc(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)cc1 ZINC000560541348 332355334 /nfs/dbraw/zinc/35/53/34/332355334.db2.gz JACDUEVKKHSOGZ-HXUWFJFHSA-N 1 1 320.436 4.022 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000121023932 332391245 /nfs/dbraw/zinc/39/12/45/332391245.db2.gz JLDMKYZLJPLKIC-CYBMUJFWSA-N 1 1 311.520 4.215 20 30 DIEDMO COc1cc(C[NH2+]Cc2cccc(Cl)c2Cl)ccc1C#N ZINC000564417946 332557790 /nfs/dbraw/zinc/55/77/90/332557790.db2.gz DMCZWVVVAZOFSE-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO COc1ccc(CNc2ccc([NH+]3CCCC3)cc2C)cc1C#N ZINC000172688453 332630333 /nfs/dbraw/zinc/63/03/33/332630333.db2.gz AZKQTEXKPMEEJC-UHFFFAOYSA-N 1 1 321.424 4.088 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000174830311 333091345 /nfs/dbraw/zinc/09/13/45/333091345.db2.gz HDNHIKRQBYCHDM-INIZCTEOSA-N 1 1 306.837 4.043 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000174830311 333091347 /nfs/dbraw/zinc/09/13/47/333091347.db2.gz HDNHIKRQBYCHDM-INIZCTEOSA-N 1 1 306.837 4.043 20 30 DIEDMO N#CCSCCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516650523 333109443 /nfs/dbraw/zinc/10/94/43/333109443.db2.gz OXFKFRZBIMJNNJ-KRWDZBQOSA-N 1 1 320.527 4.031 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000188074805 333158817 /nfs/dbraw/zinc/15/88/17/333158817.db2.gz KGBKGFCXXJXWQW-NSHDSACASA-N 1 1 319.202 4.107 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180728309 333164649 /nfs/dbraw/zinc/16/46/49/333164649.db2.gz AUBHMRKJJLDTNR-UHFFFAOYSA-N 1 1 305.425 4.047 20 30 DIEDMO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000181738325 333171783 /nfs/dbraw/zinc/17/17/83/333171783.db2.gz VAZLGLOCVXOPPG-STQMWFEESA-N 1 1 315.442 4.020 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000181738343 333171871 /nfs/dbraw/zinc/17/18/71/333171871.db2.gz VAZLGLOCVXOPPG-CHWSQXEVSA-N 1 1 315.442 4.020 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000183971095 333190501 /nfs/dbraw/zinc/19/05/01/333190501.db2.gz SOEHJABZPFRUOL-CQSZACIVSA-N 1 1 313.470 4.180 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000497475965 333254963 /nfs/dbraw/zinc/25/49/63/333254963.db2.gz YEEJHJCTOGIRLC-LJQANCHMSA-N 1 1 306.409 4.083 20 30 DIEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCOc1ccccc1C#N ZINC000497584581 333265884 /nfs/dbraw/zinc/26/58/84/333265884.db2.gz HPSZJEYMYTZXLP-HNNXBMFYSA-N 1 1 320.392 4.376 20 30 DIEDMO CC[N@@H+](CCOc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497594087 333267481 /nfs/dbraw/zinc/26/74/81/333267481.db2.gz PNIGQHXGEVJVAH-INIZCTEOSA-N 1 1 324.424 4.029 20 30 DIEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617464 333270287 /nfs/dbraw/zinc/27/02/87/333270287.db2.gz DRPVFRDCSLVHKC-INIZCTEOSA-N 1 1 308.425 4.192 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2Cl)n1 ZINC000525886157 335141114 /nfs/dbraw/zinc/14/11/14/335141114.db2.gz NZQCQZOMXSYKQV-GOSISDBHSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2Cl)n1 ZINC000525886157 335141115 /nfs/dbraw/zinc/14/11/15/335141115.db2.gz NZQCQZOMXSYKQV-GOSISDBHSA-N 1 1 311.816 4.252 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273434385 334046930 /nfs/dbraw/zinc/04/69/30/334046930.db2.gz MAIYRNSYTWYZHZ-ZWKOTPCHSA-N 1 1 318.436 4.308 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273434380 334047014 /nfs/dbraw/zinc/04/70/14/334047014.db2.gz MAIYRNSYTWYZHZ-ROUUACIJSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000277561010 334088885 /nfs/dbraw/zinc/08/88/85/334088885.db2.gz AGKBIDCLSKJIKK-QAPCUYQASA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000277561010 334088886 /nfs/dbraw/zinc/08/88/86/334088886.db2.gz AGKBIDCLSKJIKK-QAPCUYQASA-N 1 1 318.436 4.308 20 30 DIEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000277559605 334088978 /nfs/dbraw/zinc/08/89/78/334088978.db2.gz ACNHPEIBYHXCPM-INIZCTEOSA-N 1 1 300.446 4.205 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)C1 ZINC000278718448 334100197 /nfs/dbraw/zinc/10/01/97/334100197.db2.gz UXPQIXRCYGIJOH-LKUPVBHCSA-N 1 1 302.421 4.326 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)o1 ZINC000278864134 334102508 /nfs/dbraw/zinc/10/25/08/334102508.db2.gz SGASVSWDGNAITP-INIZCTEOSA-N 1 1 304.434 4.283 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281942571 334129739 /nfs/dbraw/zinc/12/97/39/334129739.db2.gz IWZXSPXGRRXCMZ-INIZCTEOSA-N 1 1 318.486 4.158 20 30 DIEDMO Cc1ccc([C@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282118899 334131679 /nfs/dbraw/zinc/13/16/79/334131679.db2.gz XOVDFDOSMPAPBD-SFHVURJKSA-N 1 1 314.473 4.397 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289357040 334164547 /nfs/dbraw/zinc/16/45/47/334164547.db2.gz NQVNGBABXRHACF-SFHVURJKSA-N 1 1 319.452 4.262 20 30 DIEDMO C[N@H+]1CCC[C@H]1CCSc1nc(-c2ccccc2)ccc1C#N ZINC000534608363 334299484 /nfs/dbraw/zinc/29/94/84/334299484.db2.gz GNZADNUWKPFAAZ-KRWDZBQOSA-N 1 1 323.465 4.197 20 30 DIEDMO C=CC1CC[NH+]([C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000111256493 334314323 /nfs/dbraw/zinc/31/43/23/334314323.db2.gz MUNUDWBHFQTGBJ-LBPRGKRZSA-N 1 1 305.372 4.390 20 30 DIEDMO C=CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121248505 334343554 /nfs/dbraw/zinc/34/35/54/334343554.db2.gz ZEKDMGLSKLDSTF-VIFPVBQESA-N 1 1 312.200 4.222 20 30 DIEDMO C=CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000121248505 334343555 /nfs/dbraw/zinc/34/35/55/334343555.db2.gz ZEKDMGLSKLDSTF-VIFPVBQESA-N 1 1 312.200 4.222 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ccon1)c1ccc(C(F)(F)F)cc1 ZINC000342204161 334521244 /nfs/dbraw/zinc/52/12/44/334521244.db2.gz KPQFFCHGBIHAOQ-OAHLLOKOSA-N 1 1 310.319 4.491 20 30 DIEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000162324206 334905447 /nfs/dbraw/zinc/90/54/47/334905447.db2.gz BRZVPMUSRBTLKW-KGLIPLIRSA-N 1 1 314.454 4.129 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc(C(F)(F)F)cc1 ZINC000345019457 335291811 /nfs/dbraw/zinc/29/18/11/335291811.db2.gz MMDOKTSCWLDBCK-OAHLLOKOSA-N 1 1 309.335 4.226 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nccn1-c1ccccc1 ZINC000346956942 335453298 /nfs/dbraw/zinc/45/32/98/335453298.db2.gz HJNAZXDFVPVGRF-HZPDHXFCSA-N 1 1 316.408 4.156 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000346964951 335454118 /nfs/dbraw/zinc/45/41/18/335454118.db2.gz NBGBTTNJXDZDQG-CVEARBPZSA-N 1 1 316.408 4.156 20 30 DIEDMO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000520397546 335973237 /nfs/dbraw/zinc/97/32/37/335973237.db2.gz IFYYIRSZFHUMBZ-CRAIPNDOSA-N 1 1 309.413 4.471 20 30 DIEDMO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000520397549 335973252 /nfs/dbraw/zinc/97/32/52/335973252.db2.gz IFYYIRSZFHUMBZ-YJBOKZPZSA-N 1 1 309.413 4.471 20 30 DIEDMO Cc1ccc(-c2cc(C[N@@H+](C)Cc3cccc(C#N)c3)on2)cc1 ZINC000029723891 336219100 /nfs/dbraw/zinc/21/91/00/336219100.db2.gz IDFSZSUIAFJCFM-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO Cc1ccc(-c2cc(C[N@H+](C)Cc3cccc(C#N)c3)on2)cc1 ZINC000029723891 336219101 /nfs/dbraw/zinc/21/91/01/336219101.db2.gz IDFSZSUIAFJCFM-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1csc(-c2ccoc2)n1 ZINC000352701154 336231217 /nfs/dbraw/zinc/23/12/17/336231217.db2.gz FMRPGMRURDGFSC-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc(-c2ccoc2)n1 ZINC000352701154 336231218 /nfs/dbraw/zinc/23/12/18/336231218.db2.gz FMRPGMRURDGFSC-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C)sc1C ZINC000352819597 336255008 /nfs/dbraw/zinc/25/50/08/336255008.db2.gz WXRRZQCETCGUSV-UHFFFAOYSA-N 1 1 305.443 4.029 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C)sc1C ZINC000352819597 336255009 /nfs/dbraw/zinc/25/50/09/336255009.db2.gz WXRRZQCETCGUSV-UHFFFAOYSA-N 1 1 305.443 4.029 20 30 DIEDMO CC1(C)CC[C@H]2C[C@@H]([NH2+]Cc3nc(C#N)cs3)c3cccc1c32 ZINC000352820403 336256152 /nfs/dbraw/zinc/25/61/52/336256152.db2.gz AJOQOMOTKVBJIJ-BLLLJJGKSA-N 1 1 323.465 4.404 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000532583330 336256470 /nfs/dbraw/zinc/25/64/70/336256470.db2.gz YJEOJMQFPKCKHD-CQSZACIVSA-N 1 1 308.853 4.345 20 30 DIEDMO CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352831801 336269768 /nfs/dbraw/zinc/26/97/68/336269768.db2.gz CLNQBYYXGQIARW-GFCCVEGCSA-N 1 1 317.483 4.366 20 30 DIEDMO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)c1cccc(C#N)c1)C2 ZINC000526942199 336275338 /nfs/dbraw/zinc/27/53/38/336275338.db2.gz TVNKREAZJSIIAZ-OAHLLOKOSA-N 1 1 306.409 4.076 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000182624149 336276618 /nfs/dbraw/zinc/27/66/18/336276618.db2.gz ZZLCTIMWGWHUQH-ZDUSSCGKSA-N 1 1 306.365 4.164 20 30 DIEDMO CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]cc2Cl)c1 ZINC000301542393 336313625 /nfs/dbraw/zinc/31/36/25/336313625.db2.gz VSMZZYOMYOYVKJ-CYBMUJFWSA-N 1 1 301.777 4.028 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000352885626 336330888 /nfs/dbraw/zinc/33/08/88/336330888.db2.gz OMQLUUBLIIXEJL-GFCCVEGCSA-N 1 1 317.433 4.218 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000352885626 336330889 /nfs/dbraw/zinc/33/08/89/336330889.db2.gz OMQLUUBLIIXEJL-GFCCVEGCSA-N 1 1 317.433 4.218 20 30 DIEDMO Cn1c2ccc(Nc3cccc(F)c3C#N)cc2[nH+]c1C1CC1 ZINC000301893602 336336726 /nfs/dbraw/zinc/33/67/26/336336726.db2.gz WMNJSUQPIHKKOZ-UHFFFAOYSA-N 1 1 306.344 4.205 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1OC ZINC000352935460 336378284 /nfs/dbraw/zinc/37/82/84/336378284.db2.gz OVXDESAPKLCNJN-KRWDZBQOSA-N 1 1 301.430 4.025 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2OC)cc1 ZINC000389431738 336390729 /nfs/dbraw/zinc/39/07/29/336390729.db2.gz UUXQLJFRJFUYSA-UHFFFAOYSA-N 1 1 317.816 4.203 20 30 DIEDMO Cc1cccc(NC2CCC(Oc3ccccc3C#N)CC2)[nH+]1 ZINC000354884673 336486474 /nfs/dbraw/zinc/48/64/74/336486474.db2.gz DVJUTLZYICCCIZ-UHFFFAOYSA-N 1 1 307.397 4.064 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000358284663 336621272 /nfs/dbraw/zinc/62/12/72/336621272.db2.gz XNEYTBMHOUBXKD-KRWDZBQOSA-N 1 1 324.424 4.153 20 30 DIEDMO Cc1[nH+]ccn1CCCCSc1cccc(Cl)c1C#N ZINC000360947572 336728940 /nfs/dbraw/zinc/72/89/40/336728940.db2.gz VJMXIMKTWLBVQY-UHFFFAOYSA-N 1 1 305.834 4.289 20 30 DIEDMO N#CCC1(CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000362358103 336793551 /nfs/dbraw/zinc/79/35/51/336793551.db2.gz IKWLPNPNVLBHHS-UHFFFAOYSA-N 1 1 316.202 4.103 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CCC1 ZINC000418142230 336896415 /nfs/dbraw/zinc/89/64/15/336896415.db2.gz MJEWGMJRCRMONP-UHFFFAOYSA-N 1 1 324.399 4.188 20 30 DIEDMO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1cccc(C#N)c1 ZINC000373222778 336953544 /nfs/dbraw/zinc/95/35/44/336953544.db2.gz DHBWRSUHHPQBNG-KKSFZXQISA-N 1 1 313.404 4.393 20 30 DIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCCCC(C)(C)C#N)CC2 ZINC000376116330 337027525 /nfs/dbraw/zinc/02/75/25/337027525.db2.gz QEXJYYODVXXYIG-UHFFFAOYSA-N 1 1 312.457 4.010 20 30 DIEDMO C=CCOc1cccc(C[NH2+]Cc2ncoc2-c2ccccc2)c1 ZINC000378151861 337067327 /nfs/dbraw/zinc/06/73/27/337067327.db2.gz FPUNYQNCXXQPRX-UHFFFAOYSA-N 1 1 320.392 4.196 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000582748193 337133050 /nfs/dbraw/zinc/13/30/50/337133050.db2.gz DYLIMYWYABJESG-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1Cl ZINC000179380782 337167663 /nfs/dbraw/zinc/16/76/63/337167663.db2.gz POHGMRJEBHEEKZ-UHFFFAOYSA-N 1 1 322.861 4.302 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1Cl ZINC000179380782 337167664 /nfs/dbraw/zinc/16/76/64/337167664.db2.gz POHGMRJEBHEEKZ-UHFFFAOYSA-N 1 1 322.861 4.302 20 30 DIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCC(C)(C)C#N)C3)nc2c1 ZINC000181145184 337182001 /nfs/dbraw/zinc/18/20/01/337182001.db2.gz DAALUJWNAWVWAK-MRXNPFEDSA-N 1 1 324.472 4.381 20 30 DIEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCCC(C)(C)C#N)C3)[nH]c2c1 ZINC000181145184 337182002 /nfs/dbraw/zinc/18/20/02/337182002.db2.gz DAALUJWNAWVWAK-MRXNPFEDSA-N 1 1 324.472 4.381 20 30 DIEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCCC(C)(C)C#N)C3)[nH]c2c1 ZINC000181145184 337182003 /nfs/dbraw/zinc/18/20/03/337182003.db2.gz DAALUJWNAWVWAK-MRXNPFEDSA-N 1 1 324.472 4.381 20 30 DIEDMO N#CCCCOc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181445797 337184273 /nfs/dbraw/zinc/18/42/73/337184273.db2.gz UXROLMRLLMYYMS-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000181445797 337184274 /nfs/dbraw/zinc/18/42/74/337184274.db2.gz UXROLMRLLMYYMS-UHFFFAOYSA-N 1 1 324.399 4.067 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000184095673 337196195 /nfs/dbraw/zinc/19/61/95/337196195.db2.gz YSKXKFKCUBCRSH-SFHVURJKSA-N 1 1 324.424 4.056 20 30 DIEDMO C[C@H]1CCCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000187516001 337266540 /nfs/dbraw/zinc/26/65/40/337266540.db2.gz JKUQMTHAEOLEPC-KRWDZBQOSA-N 1 1 322.456 4.086 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000583716134 337316808 /nfs/dbraw/zinc/31/68/08/337316808.db2.gz PHYFAGXACNZEEW-NRFANRHFSA-N 1 1 320.436 4.271 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(C#N)s1)c1nc2ccccc2s1 ZINC000527743963 337760791 /nfs/dbraw/zinc/76/07/91/337760791.db2.gz JLEGSECDARFKMM-UHFFFAOYSA-N 1 1 313.451 4.254 20 30 DIEDMO C=CCn1cc(C[NH2+][C@H](CCCC(C)C)c2ccccc2)nn1 ZINC000424291570 337816285 /nfs/dbraw/zinc/81/62/85/337816285.db2.gz DSEKZCMPTLRLST-LJQANCHMSA-N 1 1 312.461 4.121 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000107899375 337832799 /nfs/dbraw/zinc/83/27/99/337832799.db2.gz NVFGCMPGTRMGTB-UHFFFAOYSA-N 1 1 312.363 4.396 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)o1 ZINC000537298995 337929292 /nfs/dbraw/zinc/92/92/92/337929292.db2.gz SCYANFJJCMICBD-AWEZNQCLSA-N 1 1 307.180 4.235 20 30 DIEDMO CC(C)(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1 ZINC000515924650 338001287 /nfs/dbraw/zinc/00/12/87/338001287.db2.gz LBEJFKKYOZSLAR-HNNXBMFYSA-N 1 1 303.406 4.031 20 30 DIEDMO Oc1ccc(C2=CC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426358802 338028721 /nfs/dbraw/zinc/02/87/21/338028721.db2.gz WOBVNPCOXLRLQE-UHFFFAOYSA-N 1 1 323.823 4.186 20 30 DIEDMO Oc1ccc(C2=CC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)cc1 ZINC000426358802 338028722 /nfs/dbraw/zinc/02/87/22/338028722.db2.gz WOBVNPCOXLRLQE-UHFFFAOYSA-N 1 1 323.823 4.186 20 30 DIEDMO COc1ccc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)cc1 ZINC000428231137 338043383 /nfs/dbraw/zinc/04/33/83/338043383.db2.gz USKJQBNZIVEJEW-UHFFFAOYSA-N 1 1 324.399 4.086 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000428388118 338049896 /nfs/dbraw/zinc/04/98/96/338049896.db2.gz LTRXICQRSDTVGD-SFHVURJKSA-N 1 1 300.352 4.323 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2ncsc2c1 ZINC000428421022 338050807 /nfs/dbraw/zinc/05/08/07/338050807.db2.gz IGHDDNNRWAOOAS-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2cccc(F)c2C#N)C(C)C)s1 ZINC000428464406 338053453 /nfs/dbraw/zinc/05/34/53/338053453.db2.gz PTTLDVNRHRKIDG-UHFFFAOYSA-N 1 1 302.418 4.478 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2cccc(F)c2C#N)C(C)C)s1 ZINC000428464406 338053454 /nfs/dbraw/zinc/05/34/54/338053454.db2.gz PTTLDVNRHRKIDG-UHFFFAOYSA-N 1 1 302.418 4.478 20 30 DIEDMO Cc1ccc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1C ZINC000428720462 338059510 /nfs/dbraw/zinc/05/95/10/338059510.db2.gz LVXCJDZADSYPGR-FQEVSTJZSA-N 1 1 309.457 4.002 20 30 DIEDMO C[C@H]1C[C@]1([NH2+]Cc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000428957143 338066604 /nfs/dbraw/zinc/06/66/04/338066604.db2.gz PGPXEKCTSVLTOP-KPZWWZAWSA-N 1 1 314.791 4.376 20 30 DIEDMO N#C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@H]1c1ccccc1 ZINC000429015743 338068943 /nfs/dbraw/zinc/06/89/43/338068943.db2.gz ZWAHUBXCXRKYMN-AQNXPRMDSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCCC3)O2)C[C@H]1c1ccccc1 ZINC000429015743 338068944 /nfs/dbraw/zinc/06/89/44/338068944.db2.gz ZWAHUBXCXRKYMN-AQNXPRMDSA-N 1 1 324.468 4.107 20 30 DIEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429064376 338070267 /nfs/dbraw/zinc/07/02/67/338070267.db2.gz WJUVCGQNGZDEPJ-LBPRGKRZSA-N 1 1 317.230 4.194 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc2c(Br)cccc12 ZINC000429064376 338070268 /nfs/dbraw/zinc/07/02/68/338070268.db2.gz WJUVCGQNGZDEPJ-LBPRGKRZSA-N 1 1 317.230 4.194 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429573618 338084648 /nfs/dbraw/zinc/08/46/48/338084648.db2.gz BIOYDHCLMWVNNB-LSDHHAIUSA-N 1 1 318.486 4.024 20 30 DIEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(OCCCC#N)c2)CC12CCC2 ZINC000430084621 338095450 /nfs/dbraw/zinc/09/54/50/338095450.db2.gz KIGIMSODMXZSIH-LJQANCHMSA-N 1 1 312.457 4.380 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000430108087 338097261 /nfs/dbraw/zinc/09/72/61/338097261.db2.gz ZADKTFUWMJJNOH-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000430108087 338097262 /nfs/dbraw/zinc/09/72/62/338097262.db2.gz ZADKTFUWMJJNOH-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cccc(C#N)c1 ZINC000432515906 338158185 /nfs/dbraw/zinc/15/81/85/338158185.db2.gz AKVPIRLWRNFMRY-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000433103183 338181992 /nfs/dbraw/zinc/18/19/92/338181992.db2.gz KNRMUTYGTYUCFQ-VIFPVBQESA-N 1 1 324.733 4.480 20 30 DIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434498480 338218407 /nfs/dbraw/zinc/21/84/07/338218407.db2.gz TZLIIAZRJLLPME-UHFFFAOYSA-N 1 1 312.363 4.158 20 30 DIEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1C)CCc1ccccc1 ZINC000434835909 338226245 /nfs/dbraw/zinc/22/62/45/338226245.db2.gz IDQDWTZCOAEUMO-UHFFFAOYSA-N 1 1 322.452 4.054 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000434991266 338229255 /nfs/dbraw/zinc/22/92/55/338229255.db2.gz LWOXLCZSUNPSSB-HXUWFJFHSA-N 1 1 306.409 4.316 20 30 DIEDMO C[C@@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291073 338266584 /nfs/dbraw/zinc/26/65/84/338266584.db2.gz KPHDBFQKXCKRTF-OXQOHEQNSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291073 338266585 /nfs/dbraw/zinc/26/65/85/338266585.db2.gz KPHDBFQKXCKRTF-OXQOHEQNSA-N 1 1 311.473 4.006 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCCC1 ZINC000437151465 338302805 /nfs/dbraw/zinc/30/28/05/338302805.db2.gz GGSOCGWVCMFFML-UHFFFAOYSA-N 1 1 308.372 4.313 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc2nc(C)ccc2c1 ZINC000437797994 338321882 /nfs/dbraw/zinc/32/18/82/338321882.db2.gz KHEUBFWMTZVJRM-UHFFFAOYSA-N 1 1 306.409 4.367 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000437884678 338324213 /nfs/dbraw/zinc/32/42/13/338324213.db2.gz WZDZVCBATSSICB-MRXNPFEDSA-N 1 1 312.438 4.274 20 30 DIEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439503 338369551 /nfs/dbraw/zinc/36/95/51/338369551.db2.gz MJGTZFTUDRPUQB-GFCCVEGCSA-N 1 1 300.789 4.110 20 30 DIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439439503 338369552 /nfs/dbraw/zinc/36/95/52/338369552.db2.gz MJGTZFTUDRPUQB-GFCCVEGCSA-N 1 1 300.789 4.110 20 30 DIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cc1F ZINC000439445863 338369709 /nfs/dbraw/zinc/36/97/09/338369709.db2.gz YNLDJLJIALTUKP-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000439451713 338369994 /nfs/dbraw/zinc/36/99/94/338369994.db2.gz YJNPPTMPUIPABR-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439451713 338369995 /nfs/dbraw/zinc/36/99/95/338369995.db2.gz YJNPPTMPUIPABR-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439476554 338370899 /nfs/dbraw/zinc/37/08/99/338370899.db2.gz QYYWJZDOGUMECQ-KRWDZBQOSA-N 1 1 308.425 4.158 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1nc(C)cs1 ZINC000440368599 338386262 /nfs/dbraw/zinc/38/62/62/338386262.db2.gz UFLSHDJGNMDOEK-QGZVFWFLSA-N 1 1 318.873 4.371 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000572487148 338386545 /nfs/dbraw/zinc/38/65/45/338386545.db2.gz YHQPRNCRSNAHIA-UHFFFAOYSA-N 1 1 301.390 4.010 20 30 DIEDMO COc1cc(C[NH2+][C@@H](C)c2c(F)cccc2Cl)ccc1C#N ZINC000440625907 338393054 /nfs/dbraw/zinc/39/30/54/338393054.db2.gz FBFYBTWNLJHBTP-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO CC(C)(C)[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459349247 339023688 /nfs/dbraw/zinc/02/36/88/339023688.db2.gz IVFQAQMBDWBWSE-GOSISDBHSA-N 1 1 323.396 4.343 20 30 DIEDMO C=CCCC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459353659 339023979 /nfs/dbraw/zinc/02/39/79/339023979.db2.gz XDPQPEKUTOFBJM-UHFFFAOYSA-N 1 1 324.472 4.458 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000459376579 339025612 /nfs/dbraw/zinc/02/56/12/339025612.db2.gz WPADEOPWOGMCAW-IBGZPJMESA-N 1 1 321.380 4.097 20 30 DIEDMO Cc1ccccc1[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000459399613 339027093 /nfs/dbraw/zinc/02/70/93/339027093.db2.gz VQYDCJHHUMOEIR-LJQANCHMSA-N 1 1 323.396 4.262 20 30 DIEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459584448 339037256 /nfs/dbraw/zinc/03/72/56/339037256.db2.gz AXLOQBSVXBAEEO-MRXNPFEDSA-N 1 1 316.836 4.437 20 30 DIEDMO N#CCCCCN1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000459584448 339037257 /nfs/dbraw/zinc/03/72/57/339037257.db2.gz AXLOQBSVXBAEEO-MRXNPFEDSA-N 1 1 316.836 4.437 20 30 DIEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459584448 339037259 /nfs/dbraw/zinc/03/72/59/339037259.db2.gz AXLOQBSVXBAEEO-MRXNPFEDSA-N 1 1 316.836 4.437 20 30 DIEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC(C)(C)C1 ZINC000459733498 339045028 /nfs/dbraw/zinc/04/50/28/339045028.db2.gz NRAPOGRHGAWVJI-UHFFFAOYSA-N 1 1 322.456 4.084 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503427674 339060030 /nfs/dbraw/zinc/06/00/30/339060030.db2.gz DYXBUSZJXALGLG-IRXDYDNUSA-N 1 1 301.478 4.144 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(Cl)cccc2C#N)C1 ZINC000462790321 339088748 /nfs/dbraw/zinc/08/87/48/339088748.db2.gz UOQQYXJQDAEKQQ-AWEZNQCLSA-N 1 1 305.853 4.136 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463007221 339100233 /nfs/dbraw/zinc/10/02/33/339100233.db2.gz GSEDCCNXCCBMEP-OLZOCXBDSA-N 1 1 302.365 4.173 20 30 DIEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)OC ZINC000463421195 339117187 /nfs/dbraw/zinc/11/71/87/339117187.db2.gz YDRUBCGGXZNXDJ-MRXNPFEDSA-N 1 1 308.425 4.082 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1OC ZINC000464582798 339146064 /nfs/dbraw/zinc/14/60/64/339146064.db2.gz XYMFRKOOHKKHPX-UHFFFAOYSA-N 1 1 314.454 4.083 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464741293 339150707 /nfs/dbraw/zinc/15/07/07/339150707.db2.gz SUQVFMLHFQKION-HNAYVOBHSA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000464743081 339150746 /nfs/dbraw/zinc/15/07/46/339150746.db2.gz YMRDGJCEJODDNX-MGPUTAFESA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H](c2ccco2)C1 ZINC000464852786 339157809 /nfs/dbraw/zinc/15/78/09/339157809.db2.gz CDWRZERSECOBRZ-NVXWUHKLSA-N 1 1 310.397 4.003 20 30 DIEDMO CC[N@@H+](CCCSCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000466704153 339213473 /nfs/dbraw/zinc/21/34/73/339213473.db2.gz BMHSNHKDMMMNEE-UHFFFAOYSA-N 1 1 317.285 4.462 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCSCC#N ZINC000466734473 339214851 /nfs/dbraw/zinc/21/48/51/339214851.db2.gz DJLGGHZNBMMEIS-GOSISDBHSA-N 1 1 304.503 4.285 20 30 DIEDMO N#CC1(C[N@H+]2CCC[C@@H](Cc3csc4ccccc34)C2)CC1 ZINC000466937407 339222233 /nfs/dbraw/zinc/22/22/33/339222233.db2.gz DDKJRIUHYUKJGO-HNNXBMFYSA-N 1 1 310.466 4.460 20 30 DIEDMO C=CCC[N@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000467288874 339229939 /nfs/dbraw/zinc/22/99/39/339229939.db2.gz LAHHTMCXDZGFLT-GOSISDBHSA-N 1 1 319.408 4.334 20 30 DIEDMO C=CCC[N@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000467300722 339230399 /nfs/dbraw/zinc/23/03/99/339230399.db2.gz HALYQXJXSCGUDJ-UHFFFAOYSA-N 1 1 301.821 4.113 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3cccc(Cl)c3)CC2)o1 ZINC000467558126 339242698 /nfs/dbraw/zinc/24/26/98/339242698.db2.gz RISUVJLZUMIQKE-UHFFFAOYSA-N 1 1 318.779 4.265 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468270791 339258273 /nfs/dbraw/zinc/25/82/73/339258273.db2.gz QICCBSKYJAGZTH-CXAGYDPISA-N 1 1 312.363 4.214 20 30 DIEDMO N#Cc1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)ccc1F ZINC000468287538 339258990 /nfs/dbraw/zinc/25/89/90/339258990.db2.gz QUDTXFQAZXVRMC-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468288511 339259011 /nfs/dbraw/zinc/25/90/11/339259011.db2.gz KHLKZCKELQWJSQ-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000468288511 339259012 /nfs/dbraw/zinc/25/90/12/339259012.db2.gz KHLKZCKELQWJSQ-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468476968 339263779 /nfs/dbraw/zinc/26/37/79/339263779.db2.gz YTYORSIFGMCFGQ-UWJYYQICSA-N 1 1 319.452 4.075 20 30 DIEDMO C[C@H]1C[C@@H](Nc2ccc(CC#N)cc2)C[N@@H+](Cc2ccccc2)C1 ZINC000468476966 339263795 /nfs/dbraw/zinc/26/37/95/339263795.db2.gz YTYORSIFGMCFGQ-LAUBAEHRSA-N 1 1 319.452 4.075 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000468894052 339273911 /nfs/dbraw/zinc/27/39/11/339273911.db2.gz HXVFHSJQSJBPIX-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000468894052 339273912 /nfs/dbraw/zinc/27/39/12/339273912.db2.gz HXVFHSJQSJBPIX-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO N#Cc1ccccc1C[NH+]1CCC(c2c(F)cccc2F)CC1 ZINC000469798498 339300837 /nfs/dbraw/zinc/30/08/37/339300837.db2.gz SJZXCYVJDWRCQI-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO CC(C)C[N@@H+](CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000469921228 339304728 /nfs/dbraw/zinc/30/47/28/339304728.db2.gz VKFPEONHQJTBNC-UHFFFAOYSA-N 1 1 314.473 4.223 20 30 DIEDMO C=CCOCCC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000470727215 339326360 /nfs/dbraw/zinc/32/63/60/339326360.db2.gz RCGQAYYZORVKDE-CYBMUJFWSA-N 1 1 301.352 4.291 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CC1 ZINC000471211545 339340239 /nfs/dbraw/zinc/34/02/39/339340239.db2.gz KATIPVQDXMPWNO-UHFFFAOYSA-N 1 1 315.420 4.351 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CC1 ZINC000471211545 339340240 /nfs/dbraw/zinc/34/02/40/339340240.db2.gz KATIPVQDXMPWNO-UHFFFAOYSA-N 1 1 315.420 4.351 20 30 DIEDMO CC1CCC([N@@H+](CCCC(C)(C)C#N)C[C@H]2CCCO2)CC1 ZINC000472229162 339366596 /nfs/dbraw/zinc/36/65/96/339366596.db2.gz ANWDJXPYDWOYNK-DAWZGUTISA-N 1 1 306.494 4.376 20 30 DIEDMO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@@H+]1CCCC(C)(C)C#N ZINC000472230816 339366776 /nfs/dbraw/zinc/36/67/76/339366776.db2.gz NZQQXUWIYPOBLZ-PBHICJAKSA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@@H]1CO[C@H](c2ccccc2Cl)C[N@H+]1CCCC(C)(C)C#N ZINC000472230816 339366777 /nfs/dbraw/zinc/36/67/77/339366777.db2.gz NZQQXUWIYPOBLZ-PBHICJAKSA-N 1 1 320.864 4.432 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCC(C)(C)C#N ZINC000472429983 339371641 /nfs/dbraw/zinc/37/16/41/339371641.db2.gz JMISGMMNSCTJLH-GOSISDBHSA-N 1 1 300.446 4.334 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472579924 339374226 /nfs/dbraw/zinc/37/42/26/339374226.db2.gz JPLBRXBWBOPURJ-GOSISDBHSA-N 1 1 304.437 4.228 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473120320 339381327 /nfs/dbraw/zinc/38/13/27/339381327.db2.gz OVNGRPGXEZLWJF-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)cc1 ZINC000473120320 339381328 /nfs/dbraw/zinc/38/13/28/339381328.db2.gz OVNGRPGXEZLWJF-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1oc2ccccc2c1OC ZINC000474002566 339396759 /nfs/dbraw/zinc/39/67/59/339396759.db2.gz QUVVECLESOJPCA-UHFFFAOYSA-N 1 1 323.392 4.296 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000480208809 339563622 /nfs/dbraw/zinc/56/36/22/339563622.db2.gz KPGWWSIHDYHCKT-CYBMUJFWSA-N 1 1 302.805 4.151 20 30 DIEDMO Cn1c[nH+]c2cc(N[C@@H]3CCCCc4cc(C#N)ccc43)ccc21 ZINC000481989648 339618824 /nfs/dbraw/zinc/61/88/24/339618824.db2.gz GNJCUXIFWDQCAT-GOSISDBHSA-N 1 1 316.408 4.325 20 30 DIEDMO C=CCCOCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498806139 340023717 /nfs/dbraw/zinc/02/37/17/340023717.db2.gz PXHNCMHEDYUTNH-FQEVSTJZSA-N 1 1 322.408 4.100 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(OC)c(OC)cc1C ZINC000499055146 340028725 /nfs/dbraw/zinc/02/87/25/340028725.db2.gz ULWNZZKTRVHMRK-UHFFFAOYSA-N 1 1 317.454 4.262 20 30 DIEDMO C=CC[C@@H]1[N@H+](CCCC2(C#N)CCOCC2)CCCC1(C)C 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DIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000502466937 340104855 /nfs/dbraw/zinc/10/48/55/340104855.db2.gz JOFLYHAPJRKKBM-QGZVFWFLSA-N 1 1 322.452 4.264 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1CC ZINC000502466937 340104856 /nfs/dbraw/zinc/10/48/56/340104856.db2.gz JOFLYHAPJRKKBM-QGZVFWFLSA-N 1 1 322.452 4.264 20 30 DIEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502908219 340116379 /nfs/dbraw/zinc/11/63/79/340116379.db2.gz ATSXKCRQQAZHML-INIZCTEOSA-N 1 1 315.461 4.056 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503427671 340128084 /nfs/dbraw/zinc/12/80/84/340128084.db2.gz DYXBUSZJXALGLG-DLBZAZTESA-N 1 1 301.478 4.144 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2cccs2)ccc1OC ZINC000505602742 340172460 /nfs/dbraw/zinc/17/24/60/340172460.db2.gz PAPRXSKYCZEKET-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C)cc2)cc(OC)c1O ZINC000505603324 340172580 /nfs/dbraw/zinc/17/25/80/340172580.db2.gz 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CCOCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCc2ccccc21 ZINC000599626422 1038324255 /nfs/dbraw/zinc/32/42/55/1038324255.db2.gz VLRQTYLEBZWPQJ-LJQANCHMSA-N 1 1 314.473 4.342 20 30 DIEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677004 1038333032 /nfs/dbraw/zinc/33/30/32/1038333032.db2.gz GEIZEACPENTTFU-KSSFIOAISA-N 1 1 324.399 4.256 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCCCC#N ZINC000599653330 1038333449 /nfs/dbraw/zinc/33/34/49/1038333449.db2.gz UWVHTLPHSASCIQ-HIFRSBDPSA-N 1 1 321.262 4.321 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1F ZINC000604492996 1038420284 /nfs/dbraw/zinc/42/02/84/1038420284.db2.gz XZLKYSOJQFWCSE-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2C)cc1C#N ZINC000610991999 1038420240 /nfs/dbraw/zinc/42/02/40/1038420240.db2.gz YRUMDZNQZMWLQD-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000604493131 1038420983 /nfs/dbraw/zinc/42/09/83/1038420983.db2.gz 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C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000583330288 1039280863 /nfs/dbraw/zinc/28/08/63/1039280863.db2.gz UACNCHLXWMMOII-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)[C@H](C)CCSC)ccc1OC ZINC000539819395 1039348447 /nfs/dbraw/zinc/34/84/47/1039348447.db2.gz DJWQUERMLYEIEA-OAHLLOKOSA-N 1 1 323.502 4.224 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)[C@@H](C)CCSC)ccc1OC ZINC000539819394 1039349181 /nfs/dbraw/zinc/34/91/81/1039349181.db2.gz DJWQUERMLYEIEA-HNNXBMFYSA-N 1 1 323.502 4.224 20 30 DIEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)s1 ZINC000539822870 1039354349 /nfs/dbraw/zinc/35/43/49/1039354349.db2.gz VQCFZTUVZWUZCU-JSGCOSHPSA-N 1 1 300.402 4.137 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)o1 ZINC000539896826 1039383125 /nfs/dbraw/zinc/38/31/25/1039383125.db2.gz ROTJHRWBUKLEAS-NRFANRHFSA-N 1 1 314.388 4.451 20 30 DIEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)o1 ZINC000539896826 1039383127 /nfs/dbraw/zinc/38/31/27/1039383127.db2.gz ROTJHRWBUKLEAS-NRFANRHFSA-N 1 1 314.388 4.451 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343302705 1039385063 /nfs/dbraw/zinc/38/50/63/1039385063.db2.gz MFDYPGZHFGOVIW-INIZCTEOSA-N 1 1 322.456 4.100 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000343302705 1039385083 /nfs/dbraw/zinc/38/50/83/1039385083.db2.gz MFDYPGZHFGOVIW-INIZCTEOSA-N 1 1 322.456 4.100 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000539924451 1039390427 /nfs/dbraw/zinc/39/04/27/1039390427.db2.gz CYWXZIREHCNORX-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO CC[C@@H](CSC)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000540198167 1039455478 /nfs/dbraw/zinc/45/54/78/1039455478.db2.gz FXYHKSKRVFCNQC-HNNXBMFYSA-N 1 1 315.404 4.130 20 30 DIEDMO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000157926329 1039484955 /nfs/dbraw/zinc/48/49/55/1039484955.db2.gz JFTPBGVQLVMUIC-INIZCTEOSA-N 1 1 324.428 4.203 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000157926329 1039484963 /nfs/dbraw/zinc/48/49/63/1039484963.db2.gz JFTPBGVQLVMUIC-INIZCTEOSA-N 1 1 324.428 4.203 20 30 DIEDMO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000540589952 1039520174 /nfs/dbraw/zinc/52/01/74/1039520174.db2.gz PXSFSWUFGAJVLN-OAHLLOKOSA-N 1 1 306.409 4.317 20 30 DIEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)CCC#N)cc1 ZINC000158691038 1039562620 /nfs/dbraw/zinc/56/26/20/1039562620.db2.gz JWSRQKVXIGWLAT-UHFFFAOYSA-N 1 1 307.441 4.059 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000541280974 1039653524 /nfs/dbraw/zinc/65/35/24/1039653524.db2.gz BBNAUHZCMHKABQ-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314657 1039662038 /nfs/dbraw/zinc/66/20/38/1039662038.db2.gz IFFWIOYVEQMTBO-IERDGZPVSA-N 1 1 320.436 4.344 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314656 1039662628 /nfs/dbraw/zinc/66/26/28/1039662628.db2.gz IFFWIOYVEQMTBO-HRAATJIYSA-N 1 1 320.436 4.344 20 30 DIEDMO COc1cccc(CCC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000541318470 1039663545 /nfs/dbraw/zinc/66/35/45/1039663545.db2.gz MJVVUAQBSUYZMR-UHFFFAOYSA-N 1 1 320.436 4.164 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC(C)(C)C1 ZINC000541553493 1039703461 /nfs/dbraw/zinc/70/34/61/1039703461.db2.gz QSROVWZMEJWUQZ-MRXNPFEDSA-N 1 1 300.446 4.237 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1OC(F)F ZINC000491329239 1039772208 /nfs/dbraw/zinc/77/22/08/1039772208.db2.gz LWYVSFDXTKFYND-UHFFFAOYSA-N 1 1 307.340 4.112 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542019872 1039780760 /nfs/dbraw/zinc/78/07/60/1039780760.db2.gz QPCLCEFBWWJBKQ-HNNXBMFYSA-N 1 1 301.393 4.180 20 30 DIEDMO C[C@@H](Cc1ccsc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000542152136 1039803978 /nfs/dbraw/zinc/80/39/78/1039803978.db2.gz HPORFULDAMFEJD-HNNXBMFYSA-N 1 1 308.450 4.340 20 30 DIEDMO C[C@H](Cc1ccsc1)[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000542164614 1039805403 /nfs/dbraw/zinc/80/54/03/1039805403.db2.gz AFTDHPKKCXFTOM-AYOQOUSVSA-N 1 1 310.466 4.451 20 30 DIEDMO CCC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000179095597 1039830644 /nfs/dbraw/zinc/83/06/44/1039830644.db2.gz LHWMKHLHMRDJOD-GOSISDBHSA-N 1 1 300.352 4.467 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1csc(-c2ccco2)n1 ZINC000491397300 1039840245 /nfs/dbraw/zinc/84/02/45/1039840245.db2.gz OLMIQZWKABSBDJ-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc(-c2ccco2)n1 ZINC000491397300 1039840275 /nfs/dbraw/zinc/84/02/75/1039840275.db2.gz OLMIQZWKABSBDJ-UHFFFAOYSA-N 1 1 314.410 4.227 20 30 DIEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150813 1039873220 /nfs/dbraw/zinc/87/32/20/1039873220.db2.gz CEIOPVPJNFVHAF-KUHUBIRLSA-N 1 1 306.409 4.439 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCCSCC#N ZINC000175438318 1040035212 /nfs/dbraw/zinc/03/52/12/1040035212.db2.gz VJQLJSCXKQKZDB-ZIAGYGMSSA-N 1 1 310.894 4.411 20 30 DIEDMO Cc1[nH+]c2ccc(NCCc3ccc(C#N)cc3)cc2n1C(C)C ZINC001167679215 1040239944 /nfs/dbraw/zinc/23/99/44/1040239944.db2.gz KCJWRWBETYLTPY-UHFFFAOYSA-N 1 1 318.424 4.452 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000179327644 1040390155 /nfs/dbraw/zinc/39/01/55/1040390155.db2.gz OXZHOKGTWKBJDD-MRXNPFEDSA-N 1 1 324.424 4.008 20 30 DIEDMO COc1cccc(Cl)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000188278185 1040442889 /nfs/dbraw/zinc/44/28/89/1040442889.db2.gz BBDKBCVSPHMUHJ-GFCCVEGCSA-N 1 1 300.789 4.071 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(F)c1 ZINC000179393681 1040451080 /nfs/dbraw/zinc/45/10/80/1040451080.db2.gz AHLZNQMLSJEZNK-UHFFFAOYSA-N 1 1 316.326 4.145 20 30 DIEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000310408140 1040494161 /nfs/dbraw/zinc/49/41/61/1040494161.db2.gz WCWDWRAAHWHHRY-SFHVURJKSA-N 1 1 323.415 4.021 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406704 1040582941 /nfs/dbraw/zinc/58/29/41/1040582941.db2.gz RHSZRHZVFPDNAX-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406704 1040582956 /nfs/dbraw/zinc/58/29/56/1040582956.db2.gz RHSZRHZVFPDNAX-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc2cccnc21 ZINC000065959614 1040628198 /nfs/dbraw/zinc/62/81/98/1040628198.db2.gz FLSNIQDHDXQEFN-UHFFFAOYSA-N 1 1 302.421 4.466 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000444690492 1040637021 /nfs/dbraw/zinc/63/70/21/1040637021.db2.gz SVZFKHIMHZLVQY-CQSZACIVSA-N 1 1 306.400 4.474 20 30 DIEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)c(Cl)c2)CC1 ZINC000236690062 1040645106 /nfs/dbraw/zinc/64/51/06/1040645106.db2.gz NYGOQCOVVCHQJC-UHFFFAOYSA-N 1 1 313.272 4.124 20 30 DIEDMO CCCCCN(C)c1ccc(F)cc1C[NH2+]CC(C)(C)C#N ZINC000612584847 1040650560 /nfs/dbraw/zinc/65/05/60/1040650560.db2.gz DIZBNDVLGCUTDT-UHFFFAOYSA-N 1 1 305.441 4.091 20 30 DIEDMO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)cc1F ZINC000414227533 1041026531 /nfs/dbraw/zinc/02/65/31/1041026531.db2.gz KUIYXTXNGQPPRR-CYBMUJFWSA-N 1 1 311.404 4.241 20 30 DIEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(C#N)s2)c1 ZINC000180212285 1041044195 /nfs/dbraw/zinc/04/41/95/1041044195.db2.gz NHUPESSTNUSQLM-UHFFFAOYSA-N 1 1 300.427 4.039 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC000180212285 1041044207 /nfs/dbraw/zinc/04/42/07/1041044207.db2.gz NHUPESSTNUSQLM-UHFFFAOYSA-N 1 1 300.427 4.039 20 30 DIEDMO CCCC[N@H+](C)C[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000809144417 1041097800 /nfs/dbraw/zinc/09/78/00/1041097800.db2.gz MWFKYRYQOIZZHO-HCGGYXKBSA-N 1 1 317.260 4.238 20 30 DIEDMO CCCC[N@@H+](C)C[C@H](C)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000809144417 1041097818 /nfs/dbraw/zinc/09/78/18/1041097818.db2.gz MWFKYRYQOIZZHO-HCGGYXKBSA-N 1 1 317.260 4.238 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809639276 1041209598 /nfs/dbraw/zinc/20/95/98/1041209598.db2.gz JCRPVXLSCQLQKR-RTWAWAEBSA-N 1 1 323.411 4.159 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809639278 1041210687 /nfs/dbraw/zinc/21/06/87/1041210687.db2.gz JCRPVXLSCQLQKR-SFTDATJTSA-N 1 1 323.411 4.159 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc(C)c(C)cc1O)c1ccc(Cl)cc1F ZINC000809699313 1041218865 /nfs/dbraw/zinc/21/88/65/1041218865.db2.gz PVAIDIZNQYSCOX-KRWDZBQOSA-N 1 1 317.791 4.266 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)oc1C ZINC000809705247 1041227171 /nfs/dbraw/zinc/22/71/71/1041227171.db2.gz PSUJBDXEYAGDFI-UHFFFAOYSA-N 1 1 301.434 4.252 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(C)oc1C ZINC000809705247 1041227157 /nfs/dbraw/zinc/22/71/57/1041227157.db2.gz PSUJBDXEYAGDFI-UHFFFAOYSA-N 1 1 301.434 4.252 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](CC)CCCCCC)C2)C1=O ZINC001170593464 1041290181 /nfs/dbraw/zinc/29/01/81/1041290181.db2.gz RQSXWQSDENPGKN-AZUAARDMSA-N 1 1 320.521 4.236 20 30 DIEDMO C[C@H](Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1)c1cccc(C#N)c1 ZINC001167709824 1041310015 /nfs/dbraw/zinc/31/00/15/1041310015.db2.gz YELYPMPSMPGDQP-KXBFYZLASA-N 1 1 305.425 4.150 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1c(F)cccc1F ZINC000728711951 1041478555 /nfs/dbraw/zinc/47/85/55/1041478555.db2.gz RGDPPTKRDSKPCT-QWHCGFSZSA-N 1 1 316.351 4.106 20 30 DIEDMO C=C(Cl)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000747676457 1041484826 /nfs/dbraw/zinc/48/48/26/1041484826.db2.gz WZDPYZOQRNGWNV-UHFFFAOYSA-N 1 1 311.212 4.413 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000103481948 1041520704 /nfs/dbraw/zinc/52/07/04/1041520704.db2.gz LZRGNKCKDYLDLH-UHFFFAOYSA-N 1 1 302.780 4.376 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000811516529 1041529921 /nfs/dbraw/zinc/52/99/21/1041529921.db2.gz OKSSXOWAKZUIOD-MRXNPFEDSA-N 1 1 321.754 4.406 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000811517497 1041531130 /nfs/dbraw/zinc/53/11/30/1041531130.db2.gz UMWPVOHYROXHJJ-QGZVFWFLSA-N 1 1 316.807 4.009 20 30 DIEDMO C=C(C)COCC[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000925533098 1041559074 /nfs/dbraw/zinc/55/90/74/1041559074.db2.gz XVPAJRLDPBBOTN-GOSISDBHSA-N 1 1 316.832 4.007 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(F)cc1 ZINC000812793447 1041650995 /nfs/dbraw/zinc/65/09/95/1041650995.db2.gz ULSUOIWVLVXQPC-ZDUSSCGKSA-N 1 1 324.218 4.114 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OC(F)F)c(F)c1)c1ccc(F)cc1 ZINC000812793217 1041651043 /nfs/dbraw/zinc/65/10/43/1041651043.db2.gz PBNZBHSEXRXRSH-HNNXBMFYSA-N 1 1 323.289 4.030 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)c1ccc(F)cc1 ZINC000812793701 1041651117 /nfs/dbraw/zinc/65/11/17/1041651117.db2.gz BCCJHJKJAUURSE-OAQYLSRUSA-N 1 1 319.379 4.452 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812849044 1041656723 /nfs/dbraw/zinc/65/67/23/1041656723.db2.gz FWBNNIWGGLXYIW-AEFFLSMTSA-N 1 1 302.462 4.150 20 30 DIEDMO CCCc1csc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418142643 1041731641 /nfs/dbraw/zinc/73/16/41/1041731641.db2.gz HOWBRSHWRITSOW-QGZVFWFLSA-N 1 1 311.454 4.134 20 30 DIEDMO Cc1cccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1C ZINC000814170340 1041782813 /nfs/dbraw/zinc/78/28/13/1041782813.db2.gz VRKWXEZTNKZOPR-MRXNPFEDSA-N 1 1 308.425 4.226 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001134279290 1041812045 /nfs/dbraw/zinc/81/20/45/1041812045.db2.gz NJBQIHASZPXEJC-GOSISDBHSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCc2ncsc2C1 ZINC000592188979 1041864023 /nfs/dbraw/zinc/86/40/23/1041864023.db2.gz RWYRLVXNFWHTII-HNNXBMFYSA-N 1 1 319.518 4.432 20 30 DIEDMO C=CC(C)(C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC001134746912 1041886329 /nfs/dbraw/zinc/88/63/29/1041886329.db2.gz APOFTQUFQGQDRB-UHFFFAOYSA-N 1 1 322.452 4.013 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090717 1041908728 /nfs/dbraw/zinc/90/87/28/1041908728.db2.gz KUQQOOAJBOEXIJ-IVMMDQJWSA-N 1 1 308.347 4.187 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090719 1041909178 /nfs/dbraw/zinc/90/91/78/1041909178.db2.gz KUQQOOAJBOEXIJ-XPKDYRNWSA-N 1 1 308.347 4.187 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000815150603 1041927241 /nfs/dbraw/zinc/92/72/41/1041927241.db2.gz BPDYFICPKXUZHI-WBVHZDCISA-N 1 1 320.864 4.056 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378535 1041929462 /nfs/dbraw/zinc/92/94/62/1041929462.db2.gz IGMXRVDSMVNOQU-JKSUJKDBSA-N 1 1 311.429 4.394 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379019 1041929828 /nfs/dbraw/zinc/92/98/28/1041929828.db2.gz QRORRJZFBMMAHL-OLZOCXBDSA-N 1 1 303.431 4.147 20 30 DIEDMO CCC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000487355128 1041942764 /nfs/dbraw/zinc/94/27/64/1041942764.db2.gz LPIJNMVCWXDXDI-SFHVURJKSA-N 1 1 314.473 4.269 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c(F)cc(F)cc1F ZINC000815650034 1041984770 /nfs/dbraw/zinc/98/47/70/1041984770.db2.gz GKJBNFKXENTFOZ-SFHVURJKSA-N 1 1 316.326 4.143 20 30 DIEDMO C=CC[N@H+](Cc1nnc(-c2cc(C)c(CC)s2)o1)C(C)(C)C ZINC000661755220 1041990434 /nfs/dbraw/zinc/99/04/34/1041990434.db2.gz JNCUPUIRCJAEAV-UHFFFAOYSA-N 1 1 319.474 4.455 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nnc(-c2cccs2)o1 ZINC000662082327 1042059599 /nfs/dbraw/zinc/05/95/99/1042059599.db2.gz TUTXIPQQUATLEZ-UPJWGTAASA-N 1 1 301.415 4.042 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084168 1042059623 /nfs/dbraw/zinc/05/96/23/1042059623.db2.gz NOYDOIRRIWYIRI-OAGGEKHMSA-N 1 1 309.413 4.289 20 30 DIEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001170980391 1042276557 /nfs/dbraw/zinc/27/65/57/1042276557.db2.gz HODMQCKUSGBMDS-MSOLQXFVSA-N 1 1 313.441 4.112 20 30 DIEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC001170980391 1042276561 /nfs/dbraw/zinc/27/65/61/1042276561.db2.gz HODMQCKUSGBMDS-MSOLQXFVSA-N 1 1 313.441 4.112 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000822433241 1042285508 /nfs/dbraw/zinc/28/55/08/1042285508.db2.gz LHTNIXSXWNXHSZ-RCCFBDPRSA-N 1 1 308.510 4.116 20 30 DIEDMO C=C(C)C[N@H+]1CCCC[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001170990257 1042290764 /nfs/dbraw/zinc/29/07/64/1042290764.db2.gz JSKJRWBZVARYAK-SJORKVTESA-N 1 1 322.493 4.064 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181815 1042307309 /nfs/dbraw/zinc/30/73/09/1042307309.db2.gz KWUNCLHHTKGWFM-NHCUHLMSSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181815 1042307312 /nfs/dbraw/zinc/30/73/12/1042307312.db2.gz KWUNCLHHTKGWFM-NHCUHLMSSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001171006490 1042313785 /nfs/dbraw/zinc/31/37/85/1042313785.db2.gz HTEMYBXJLZPKSO-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC001167876653 1042322311 /nfs/dbraw/zinc/32/23/11/1042322311.db2.gz RPRCHALNCOLJNP-ZFWWWQNUSA-N 1 1 315.392 4.020 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000573732138 1042412735 /nfs/dbraw/zinc/41/27/35/1042412735.db2.gz ICTJRFBFCPUOIP-HRAATJIYSA-N 1 1 318.420 4.089 20 30 DIEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(F)cc1F ZINC000614159950 1042418346 /nfs/dbraw/zinc/41/83/46/1042418346.db2.gz ZLVGKCQYKJXYCP-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1ccc(F)cc1F ZINC000614159950 1042418349 /nfs/dbraw/zinc/41/83/49/1042418349.db2.gz ZLVGKCQYKJXYCP-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164673 1042419911 /nfs/dbraw/zinc/41/99/11/1042419911.db2.gz PCRSGOSXODITPA-UHFFFAOYSA-N 1 1 322.452 4.171 20 30 DIEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614168612 1042420644 /nfs/dbraw/zinc/42/06/44/1042420644.db2.gz MGOBUUNZNNKVHS-KRWDZBQOSA-N 1 1 302.487 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000614171128 1042420777 /nfs/dbraw/zinc/42/07/77/1042420777.db2.gz DKMFLPMIKRWRJG-QZTJIDSGSA-N 1 1 314.498 4.348 20 30 DIEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171393 1042421552 /nfs/dbraw/zinc/42/15/52/1042421552.db2.gz VUGVNBZGHISJBQ-INIZCTEOSA-N 1 1 322.452 4.256 20 30 DIEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173027 1042421638 /nfs/dbraw/zinc/42/16/38/1042421638.db2.gz DNHKVJVUCNWQLU-MRXNPFEDSA-N 1 1 320.436 4.443 20 30 DIEDMO CCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCCO1 ZINC000614174117 1042421784 /nfs/dbraw/zinc/42/17/84/1042421784.db2.gz IENSVHGAOYTAFK-IBGZPJMESA-N 1 1 314.473 4.269 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C)ccc1OC ZINC000614352829 1042476903 /nfs/dbraw/zinc/47/69/03/1042476903.db2.gz XOBNVURRVJHOKJ-UHFFFAOYSA-N 1 1 311.425 4.200 20 30 DIEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)ccn1 ZINC000614414986 1042494214 /nfs/dbraw/zinc/49/42/14/1042494214.db2.gz PPCYYHDXLLZZKO-PWRODBHTSA-N 1 1 317.436 4.111 20 30 DIEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729268343 1042517123 /nfs/dbraw/zinc/51/71/23/1042517123.db2.gz ZBRULTULGBMSFQ-CQSZACIVSA-N 1 1 314.816 4.435 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1Cl ZINC000151142416 1042530050 /nfs/dbraw/zinc/53/00/50/1042530050.db2.gz IBTPRPQWJCZTKZ-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H](Nc1cc[nH+]c2ccc(Cl)cc12)c1ccc(C#N)cc1 ZINC000513644418 1042557822 /nfs/dbraw/zinc/55/78/22/1042557822.db2.gz BISACLHDLJPRMW-GFCCVEGCSA-N 1 1 307.784 4.355 20 30 DIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C#N)c1 ZINC000015571672 1042579664 /nfs/dbraw/zinc/57/96/64/1042579664.db2.gz PXBGLBYJLFWKSO-UHFFFAOYSA-N 1 1 319.452 4.181 20 30 DIEDMO C=CCC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000513712811 1042594042 /nfs/dbraw/zinc/59/40/42/1042594042.db2.gz FZUTUQPJQHTZKO-HNNXBMFYSA-N 1 1 318.804 4.169 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000513716687 1042595352 /nfs/dbraw/zinc/59/53/52/1042595352.db2.gz GLRIXROOIVCWOR-UHFFFAOYSA-N 1 1 303.406 4.055 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000513716687 1042595355 /nfs/dbraw/zinc/59/53/55/1042595355.db2.gz GLRIXROOIVCWOR-UHFFFAOYSA-N 1 1 303.406 4.055 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(OCc2ccccc2)c1)CC1CC1 ZINC000513716994 1042596945 /nfs/dbraw/zinc/59/69/45/1042596945.db2.gz KVWZCTIHZSDXAX-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO N#CCC[N@H+](Cc1cccc(OCc2ccccc2)c1)CC1CC1 ZINC000513716994 1042596948 /nfs/dbraw/zinc/59/69/48/1042596948.db2.gz KVWZCTIHZSDXAX-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000420952621 1042617127 /nfs/dbraw/zinc/61/71/27/1042617127.db2.gz SDIPVAQSWTZUFI-LBPRGKRZSA-N 1 1 316.754 4.376 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000420952621 1042617130 /nfs/dbraw/zinc/61/71/30/1042617130.db2.gz SDIPVAQSWTZUFI-LBPRGKRZSA-N 1 1 316.754 4.376 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3cccc(C4CC4)c3)CCO2)c1 ZINC000421319442 1042629737 /nfs/dbraw/zinc/62/97/37/1042629737.db2.gz MYBBKQLBZZZFDT-OAQYLSRUSA-N 1 1 318.420 4.009 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CCO2)c1 ZINC000421319442 1042629739 /nfs/dbraw/zinc/62/97/39/1042629739.db2.gz MYBBKQLBZZZFDT-OAQYLSRUSA-N 1 1 318.420 4.009 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421339193 1042632554 /nfs/dbraw/zinc/63/25/54/1042632554.db2.gz GBRDUXYMDMOTFY-GOSISDBHSA-N 1 1 322.456 4.447 20 30 DIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247980 1042703265 /nfs/dbraw/zinc/70/32/65/1042703265.db2.gz RAVFWYZYAKRRAX-QRWLVFNGSA-N 1 1 307.441 4.032 20 30 DIEDMO N#Cc1ccc(C[N@H+](C[C@H]2CCCC(F)(F)C2)C2CC2)cc1 ZINC000513881747 1042760220 /nfs/dbraw/zinc/76/02/20/1042760220.db2.gz VLYSSSZYFIICEZ-INIZCTEOSA-N 1 1 304.384 4.348 20 30 DIEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@@H](C)CCC ZINC000514001718 1042766955 /nfs/dbraw/zinc/76/69/55/1042766955.db2.gz NABKXCLQJJPSSS-KRWDZBQOSA-N 1 1 321.509 4.010 20 30 DIEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCO1 ZINC000514212004 1042774331 /nfs/dbraw/zinc/77/43/31/1042774331.db2.gz APNMMXVEJLRDIR-FQEVSTJZSA-N 1 1 320.436 4.226 20 30 DIEDMO CC(C)Cc1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425367471 1042799056 /nfs/dbraw/zinc/79/90/56/1042799056.db2.gz STDYYIPVYRVHPH-AWEZNQCLSA-N 1 1 313.470 4.406 20 30 DIEDMO CC(C)Cc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000425367471 1042799060 /nfs/dbraw/zinc/79/90/60/1042799060.db2.gz STDYYIPVYRVHPH-AWEZNQCLSA-N 1 1 313.470 4.406 20 30 DIEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000425473501 1042829095 /nfs/dbraw/zinc/82/90/95/1042829095.db2.gz KGQQSEMMHIMTCD-MRXNPFEDSA-N 1 1 322.493 4.293 20 30 DIEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000425473499 1042829442 /nfs/dbraw/zinc/82/94/42/1042829442.db2.gz KGQQSEMMHIMTCD-INIZCTEOSA-N 1 1 322.493 4.293 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCC1CCOCC1 ZINC000425533850 1042837656 /nfs/dbraw/zinc/83/76/56/1042837656.db2.gz LMFZZTNLNIYAIC-INIZCTEOSA-N 1 1 300.446 4.148 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000425533834 1042837874 /nfs/dbraw/zinc/83/78/74/1042837874.db2.gz LJOPONDZDQCRNA-HNNXBMFYSA-N 1 1 324.399 4.353 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000425540183 1042839261 /nfs/dbraw/zinc/83/92/61/1042839261.db2.gz VCRXLIXPKXZIDH-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918710 1042859777 /nfs/dbraw/zinc/85/97/77/1042859777.db2.gz XJQZPLTWDUOAJO-AWEZNQCLSA-N 1 1 308.347 4.199 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001270238375 1042864460 /nfs/dbraw/zinc/86/44/60/1042864460.db2.gz SQAAMSIVIINNQB-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000517054225 1042864901 /nfs/dbraw/zinc/86/49/01/1042864901.db2.gz DPUPLADTSKKYHE-QGZVFWFLSA-N 1 1 308.425 4.076 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000425924260 1042874825 /nfs/dbraw/zinc/87/48/25/1042874825.db2.gz UMIQQJUIAJFLGB-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC000517626392 1042888694 /nfs/dbraw/zinc/88/86/94/1042888694.db2.gz OEWJDOUBXLXEIH-MRXNPFEDSA-N 1 1 324.424 4.029 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(C#N)cs1)CCC2 ZINC000093768053 1042895276 /nfs/dbraw/zinc/89/52/76/1042895276.db2.gz VWFNTDUSYQONKB-AWEZNQCLSA-N 1 1 317.483 4.148 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000519243837 1042940487 /nfs/dbraw/zinc/94/04/87/1042940487.db2.gz KVOORYVJXNFMSS-RDJZCZTQSA-N 1 1 303.446 4.142 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120878429 1042989650 /nfs/dbraw/zinc/98/96/50/1042989650.db2.gz DXRNHFYJJOPCGP-SFHVURJKSA-N 1 1 312.438 4.356 20 30 DIEDMO Cc1c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cccc1[N+](=O)[O-] ZINC000519908291 1043007966 /nfs/dbraw/zinc/00/79/66/1043007966.db2.gz QWSOAFRBJZIZAQ-UHFFFAOYSA-N 1 1 323.396 4.186 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000441359135 1043038147 /nfs/dbraw/zinc/03/81/47/1043038147.db2.gz QGKRCUAXNMKYQC-IBGZPJMESA-N 1 1 310.416 4.459 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341516 1043039323 /nfs/dbraw/zinc/03/93/23/1043039323.db2.gz ODDJYJIECZHJCK-YWZLYKJASA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882921 1043056120 /nfs/dbraw/zinc/05/61/20/1043056120.db2.gz CKTZSBIKLJCTRP-DYESRHJHSA-N 1 1 319.452 4.046 20 30 DIEDMO COc1ccc2oc([C@@H](C)[NH2+]Cc3ccc(C#N)o3)c(C)c2c1 ZINC000174365365 1043064046 /nfs/dbraw/zinc/06/40/46/1043064046.db2.gz HCFWEVQRZLSKQT-GFCCVEGCSA-N 1 1 310.353 4.065 20 30 DIEDMO Cc1csc(C2([NH2+]Cc3ccc(F)c(C#N)c3)CCCC2)n1 ZINC000176906532 1043101704 /nfs/dbraw/zinc/10/17/04/1043101704.db2.gz RIHVRLFPWQCSPC-UHFFFAOYSA-N 1 1 315.417 4.021 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000441457462 1043127291 /nfs/dbraw/zinc/12/72/91/1043127291.db2.gz KHDKMFXTWQCSMN-UHFFFAOYSA-N 1 1 308.491 4.290 20 30 DIEDMO COc1ccc2oc([C@H](C)[NH2+]Cc3ccccc3C#N)c(C)c2c1 ZINC000179085397 1043140666 /nfs/dbraw/zinc/14/06/66/1043140666.db2.gz SBYBUAOGLITIGT-AWEZNQCLSA-N 1 1 320.392 4.472 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccccc1 ZINC000181757227 1043155442 /nfs/dbraw/zinc/15/54/42/1043155442.db2.gz OPOYCRLCCXAMMC-GOSISDBHSA-N 1 1 322.456 4.288 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866236119 1043164394 /nfs/dbraw/zinc/16/43/94/1043164394.db2.gz UIOVISZVVQWXQP-CABCVRRESA-N 1 1 324.424 4.463 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1cccc(C#N)c1O ZINC000866362442 1043189982 /nfs/dbraw/zinc/18/99/82/1043189982.db2.gz BAYIFACVSDEQKF-LBPRGKRZSA-N 1 1 310.372 4.131 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccccc2Cl)CC1)c1cccc(C#N)c1O ZINC000866381566 1043195164 /nfs/dbraw/zinc/19/51/64/1043195164.db2.gz RLLOEZCAHQGNLW-GFCCVEGCSA-N 1 1 312.800 4.257 20 30 DIEDMO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000441520863 1043204454 /nfs/dbraw/zinc/20/44/54/1043204454.db2.gz FBFZJLHJDQVLMF-UHFFFAOYSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1N(C)C ZINC000441523464 1043207336 /nfs/dbraw/zinc/20/73/36/1043207336.db2.gz KHLCKOWGJOTQKR-UHFFFAOYSA-N 1 1 321.468 4.282 20 30 DIEDMO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc(OCC#N)cc1 ZINC000866597243 1043231186 /nfs/dbraw/zinc/23/11/86/1043231186.db2.gz ZWWDTBQBENRTJS-SCLBCKFNSA-N 1 1 316.351 4.089 20 30 DIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000487396760 1043245877 /nfs/dbraw/zinc/24/58/77/1043245877.db2.gz MYKQIFUANPSMDC-OAHLLOKOSA-N 1 1 304.503 4.451 20 30 DIEDMO C=CCCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000665193151 1043278180 /nfs/dbraw/zinc/27/81/80/1043278180.db2.gz OZBOHSDBVMJYIH-UHFFFAOYSA-N 1 1 315.461 4.149 20 30 DIEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267846748 1043309469 /nfs/dbraw/zinc/30/94/69/1043309469.db2.gz DCEPZKALXFMASS-MRXNPFEDSA-N 1 1 300.446 4.119 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000795106260 1043340070 /nfs/dbraw/zinc/34/00/70/1043340070.db2.gz JKCDRDVUEZNIGJ-QUCCMNQESA-N 1 1 322.537 4.317 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000521220852 1043376574 /nfs/dbraw/zinc/37/65/74/1043376574.db2.gz PYMGSWVGSRRCJH-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)cc1 ZINC000521220741 1043377149 /nfs/dbraw/zinc/37/71/49/1043377149.db2.gz IELIGAFUZVODKQ-UHFFFAOYSA-N 1 1 321.399 4.361 20 30 DIEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(F)cc1 ZINC000521220741 1043377156 /nfs/dbraw/zinc/37/71/56/1043377156.db2.gz IELIGAFUZVODKQ-UHFFFAOYSA-N 1 1 321.399 4.361 20 30 DIEDMO C#CCCC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000271022643 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DIEDMO CCC(CC)[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878037408 1043842485 /nfs/dbraw/zinc/84/24/85/1043842485.db2.gz UNASPFADDKASPL-HXUWFJFHSA-N 1 1 312.457 4.080 20 30 DIEDMO CC[C@H]1CCCCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878123533 1043848463 /nfs/dbraw/zinc/84/84/63/1043848463.db2.gz BBWJJMSGEBIWKF-VQTJNVASSA-N 1 1 312.457 4.082 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2csc(-c3ccsc3)n2)s1 ZINC001308441850 1043849821 /nfs/dbraw/zinc/84/98/21/1043849821.db2.gz ZJEVXNIOGONTBE-UHFFFAOYSA-N 1 1 317.464 4.095 20 30 DIEDMO N#Cc1cc(Cl)cc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000930008462 1043865577 /nfs/dbraw/zinc/86/55/77/1043865577.db2.gz JQXUNKDPCPTNAW-UHFFFAOYSA-N 1 1 317.845 4.227 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cc(C(F)(F)F)n(C)n1)c1ccccc1 ZINC000930230313 1043902497 /nfs/dbraw/zinc/90/24/97/1043902497.db2.gz WFEKRTDBMPXDKS-HNNXBMFYSA-N 1 1 323.362 4.236 20 30 DIEDMO C[C@]12CC[N@@H+](CCCCC3(C#N)CCC3)C[C@H]1C2(Cl)Cl ZINC000930367313 1043916297 /nfs/dbraw/zinc/91/62/97/1043916297.db2.gz LSUGXBXGICDDNX-KGLIPLIRSA-N 1 1 315.288 4.366 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000879009446 1043935879 /nfs/dbraw/zinc/93/58/79/1043935879.db2.gz YJAUPFRCBWNRDL-SESVDKBCSA-N 1 1 324.468 4.082 20 30 DIEDMO N#CC1CCC(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000930721562 1043957806 /nfs/dbraw/zinc/95/78/06/1043957806.db2.gz MBWMJAOZFJRSFO-AFMYVXGZSA-N 1 1 324.468 4.170 20 30 DIEDMO CC[N@@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000357933616 1044000226 /nfs/dbraw/zinc/00/02/26/1044000226.db2.gz UUOPOGZSYCEZKP-UHFFFAOYSA-N 1 1 308.425 4.028 20 30 DIEDMO CC[N@H+](CCC#N)CCOC(c1ccccc1)c1ccccc1 ZINC000357933616 1044000236 /nfs/dbraw/zinc/00/02/36/1044000236.db2.gz UUOPOGZSYCEZKP-UHFFFAOYSA-N 1 1 308.425 4.028 20 30 DIEDMO C=CCC[N@H+](Cc1[nH]nc2c1cccc2C)Cc1ccccc1 ZINC001137148162 1044001369 /nfs/dbraw/zinc/00/13/69/1044001369.db2.gz UKHIXLKXUJKOCL-UHFFFAOYSA-N 1 1 305.425 4.450 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931367879 1044017579 /nfs/dbraw/zinc/01/75/79/1044017579.db2.gz IPOBEZZBQARGNF-OAHLLOKOSA-N 1 1 310.445 4.072 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(CC)s1)c1ccccc1 ZINC000880390873 1044038636 /nfs/dbraw/zinc/03/86/36/1044038636.db2.gz XMFDDAOTJNTCJN-OAHLLOKOSA-N 1 1 301.459 4.288 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000931538807 1044040329 /nfs/dbraw/zinc/04/03/29/1044040329.db2.gz VJJJWGFXNDWMPX-SFHVURJKSA-N 1 1 318.848 4.135 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](OC3CCC3)CC2)CCC1 ZINC000931537125 1044042323 /nfs/dbraw/zinc/04/23/23/1044042323.db2.gz MDIVFNGADXNOPW-GOSISDBHSA-N 1 1 304.478 4.274 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000931558453 1044045505 /nfs/dbraw/zinc/04/55/05/1044045505.db2.gz PFJYPEHQICWIPB-SFHVURJKSA-N 1 1 300.352 4.115 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554115 1044049686 /nfs/dbraw/zinc/04/96/86/1044049686.db2.gz SHSOKGZHUFIVHW-SFHVURJKSA-N 1 1 311.473 4.191 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2ccc(C#N)cc2)o1 ZINC000248597531 1044071540 /nfs/dbraw/zinc/07/15/40/1044071540.db2.gz ATELKDJSJAYAMK-KSSFIOAISA-N 1 1 310.397 4.196 20 30 DIEDMO COCC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000358457466 1044072187 /nfs/dbraw/zinc/07/21/87/1044072187.db2.gz ZBSGQOIPMYQQDM-CXAGYDPISA-N 1 1 316.376 4.027 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000358597748 1044086078 /nfs/dbraw/zinc/08/60/78/1044086078.db2.gz XGCAXZWLCGCBOR-MGPLVRAMSA-N 1 1 301.365 4.104 20 30 DIEDMO N#CCC1(C[NH2+][C@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000562389946 1044107320 /nfs/dbraw/zinc/10/73/20/1044107320.db2.gz NEKMQBKHBKZOLJ-IBGZPJMESA-N 1 1 317.392 4.201 20 30 DIEDMO CCC[N@@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000562515883 1044123732 /nfs/dbraw/zinc/12/37/32/1044123732.db2.gz QPAWLLVCKVYACU-UHFFFAOYSA-N 1 1 305.381 4.112 20 30 DIEDMO N#Cc1ccc(C2CC[NH+](Cc3cnc(Cl)s3)CC2)cc1 ZINC000933613456 1044204433 /nfs/dbraw/zinc/20/44/33/1044204433.db2.gz YAKNTFUPNUYATC-UHFFFAOYSA-N 1 1 317.845 4.048 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166898 1044204604 /nfs/dbraw/zinc/20/46/04/1044204604.db2.gz MGADUJGCTQPXIF-FZKQIMNGSA-N 1 1 311.816 4.190 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166898 1044204608 /nfs/dbraw/zinc/20/46/08/1044204608.db2.gz MGADUJGCTQPXIF-FZKQIMNGSA-N 1 1 311.816 4.190 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(F)cc1C#N)C(C)(C)C ZINC000934289749 1044234795 /nfs/dbraw/zinc/23/47/95/1044234795.db2.gz JWSXYAQEMOXFOZ-SFHVURJKSA-N 1 1 311.404 4.278 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000934294461 1044235283 /nfs/dbraw/zinc/23/52/83/1044235283.db2.gz RDQSSLDFKRPIIV-GOSISDBHSA-N 1 1 311.404 4.278 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000444225210 1044239738 /nfs/dbraw/zinc/23/97/38/1044239738.db2.gz MFBIWRSYFPBNCU-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000444225210 1044239754 /nfs/dbraw/zinc/23/97/54/1044239754.db2.gz MFBIWRSYFPBNCU-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468709 1044252490 /nfs/dbraw/zinc/25/24/90/1044252490.db2.gz HLCDZSHQQVCPKH-IUODEOHRSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468709 1044252503 /nfs/dbraw/zinc/25/25/03/1044252503.db2.gz HLCDZSHQQVCPKH-IUODEOHRSA-N 1 1 317.820 4.025 20 30 DIEDMO CC1(C#N)CCC([NH2+]CC(F)(F)c2cc(F)cc(F)c2)CC1 ZINC000883280394 1044257833 /nfs/dbraw/zinc/25/78/33/1044257833.db2.gz AUFGLVVBTKRGFI-UHFFFAOYSA-N 1 1 314.326 4.119 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000883325165 1044273281 /nfs/dbraw/zinc/27/32/81/1044273281.db2.gz QKGRIGJCLBDVGB-IBGZPJMESA-N 1 1 310.445 4.190 20 30 DIEDMO C[C@H]([NH2+][C@H]1c2ccccc2CC[C@H]1F)c1ccc(C#N)c(F)c1 ZINC000883377069 1044289871 /nfs/dbraw/zinc/28/98/71/1044289871.db2.gz YUDWTUWWFCYHJQ-WILYLXEWSA-N 1 1 312.363 4.374 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000934877800 1044290414 /nfs/dbraw/zinc/29/04/14/1044290414.db2.gz SSOOMPZXBMGKBV-YJBOKZPZSA-N 1 1 315.461 4.056 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000934881822 1044293469 /nfs/dbraw/zinc/29/34/69/1044293469.db2.gz ZZHAOQVCZVEGMN-UHFFFAOYSA-N 1 1 315.461 4.058 20 30 DIEDMO COC[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(C)o1 ZINC000360659664 1044295500 /nfs/dbraw/zinc/29/55/00/1044295500.db2.gz ZUKUGXPNQXCJTG-OALUTQOASA-N 1 1 324.424 4.205 20 30 DIEDMO C=CCCC[N@H+](C)Cc1nnc(-c2cc(C)c(CC)s2)o1 ZINC000523008560 1044303563 /nfs/dbraw/zinc/30/35/63/1044303563.db2.gz ZDWGFZUPGHTWDW-UHFFFAOYSA-N 1 1 305.447 4.067 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716037 1044306761 /nfs/dbraw/zinc/30/67/61/1044306761.db2.gz MSDVEKBNGDBIJQ-CQSZACIVSA-N 1 1 321.380 4.192 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716037 1044306771 /nfs/dbraw/zinc/30/67/71/1044306771.db2.gz MSDVEKBNGDBIJQ-CQSZACIVSA-N 1 1 321.380 4.192 20 30 DIEDMO C=C(C)C[N@H+](CC)C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168059778 1044329433 /nfs/dbraw/zinc/32/94/33/1044329433.db2.gz HCNHTBRHJSBAGJ-QZTJIDSGSA-N 1 1 300.490 4.326 20 30 DIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361510773 1044412411 /nfs/dbraw/zinc/41/24/11/1044412411.db2.gz LEUUOGXZADIJSI-GFCCVEGCSA-N 1 1 321.346 4.109 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](CCC)CCc2ccccn2)cc1 ZINC000565509408 1044438764 /nfs/dbraw/zinc/43/87/64/1044438764.db2.gz XKCBAMXYOVNPAQ-UHFFFAOYSA-N 1 1 310.441 4.101 20 30 DIEDMO CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000294782116 1044460084 /nfs/dbraw/zinc/46/00/84/1044460084.db2.gz AOXLHIARYWFZHM-HNNXBMFYSA-N 1 1 306.409 4.344 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c(F)c1 ZINC000565944778 1044465392 /nfs/dbraw/zinc/46/53/92/1044465392.db2.gz OJUAUJWHFXVUPL-UHFFFAOYSA-N 1 1 324.330 4.386 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000609915681 1044479514 /nfs/dbraw/zinc/47/95/14/1044479514.db2.gz KDWRNBPAQDRIFE-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO CC[N@@H+](C/C(C)=C/c1ccccc1OC(F)F)C[C@H](C)C#N ZINC000566533801 1044496690 /nfs/dbraw/zinc/49/66/90/1044496690.db2.gz CUJMPXDSYRZZJT-KADHNRKRSA-N 1 1 308.372 4.173 20 30 DIEDMO CC[N@H+](C/C(C)=C/c1ccccc1OC(F)F)C[C@H](C)C#N ZINC000566533801 1044496700 /nfs/dbraw/zinc/49/67/00/1044496700.db2.gz CUJMPXDSYRZZJT-KADHNRKRSA-N 1 1 308.372 4.173 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000444595825 1044572193 /nfs/dbraw/zinc/57/21/93/1044572193.db2.gz KEAMYTNSMGVFRR-LJQANCHMSA-N 1 1 314.473 4.388 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nc2ccccc2s1 ZINC000444593406 1044572504 /nfs/dbraw/zinc/57/25/04/1044572504.db2.gz KDKNTHAASLGSIP-UHFFFAOYSA-N 1 1 301.459 4.448 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000444647706 1044583658 /nfs/dbraw/zinc/58/36/58/1044583658.db2.gz LXDXGCJCZAYNDP-IBGZPJMESA-N 1 1 313.489 4.307 20 30 DIEDMO C[C@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444646907 1044583944 /nfs/dbraw/zinc/58/39/44/1044583944.db2.gz KDJCIOUVUCSXMX-SFHVURJKSA-N 1 1 304.437 4.371 20 30 DIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000444641037 1044589069 /nfs/dbraw/zinc/58/90/69/1044589069.db2.gz ONRSITZOLATMFZ-BBWFWOEESA-N 1 1 306.494 4.232 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1 ZINC000444678326 1044599554 /nfs/dbraw/zinc/59/95/54/1044599554.db2.gz WEHLLALZMPYWND-IBGZPJMESA-N 1 1 318.424 4.064 20 30 DIEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCCCC(C)(C)C#N ZINC000444681586 1044600352 /nfs/dbraw/zinc/60/03/52/1044600352.db2.gz VKWAMHVRMKQUAF-WMZOPIPTSA-N 1 1 300.446 4.168 20 30 DIEDMO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cc(Cl)ccc1F ZINC000444693454 1044606193 /nfs/dbraw/zinc/60/61/93/1044606193.db2.gz 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1044658420 /nfs/dbraw/zinc/65/84/20/1044658420.db2.gz MMXPGWJHEBOLOF-CYBMUJFWSA-N 1 1 302.384 4.371 20 30 DIEDMO CSc1ccc(C[NH2+][C@H](C)c2nc(C)sc2C)cc1C#N ZINC000886687591 1044681931 /nfs/dbraw/zinc/68/19/31/1044681931.db2.gz AEIQUDINUGQSDM-SNVBAGLBSA-N 1 1 317.483 4.204 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075863814 1044691081 /nfs/dbraw/zinc/69/10/81/1044691081.db2.gz DOMAUGUTZBRZQM-XLIONFOSSA-N 1 1 320.436 4.158 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)cc1 ZINC000365455782 1044692949 /nfs/dbraw/zinc/69/29/49/1044692949.db2.gz DUFHGGQQGQDJDM-IBGZPJMESA-N 1 1 312.457 4.233 20 30 DIEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799356 1044702226 /nfs/dbraw/zinc/70/22/26/1044702226.db2.gz MFYJDGUBPMXCFY-HCXYKTFWSA-N 1 1 320.521 4.358 20 30 DIEDMO CC[N@H+](Cc1cnc(Cl)s1)[C@H](C)c1ccc(C#N)cc1 ZINC000078686849 1044711390 /nfs/dbraw/zinc/71/13/90/1044711390.db2.gz IKKWGKIJARXFEI-LLVKDONJSA-N 1 1 305.834 4.251 20 30 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20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1Cl ZINC000576677584 1045073544 /nfs/dbraw/zinc/07/35/44/1045073544.db2.gz XOAHCYHHWXXVDX-GFCCVEGCSA-N 1 1 315.791 4.382 20 30 DIEDMO C=CCCc1ccccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412323627 1045076098 /nfs/dbraw/zinc/07/60/98/1045076098.db2.gz XFDQYNHFJBDGSC-XHSDSOJGSA-N 1 1 300.446 4.005 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccon1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000374675466 1045081900 /nfs/dbraw/zinc/08/19/00/1045081900.db2.gz DSGSHBMAIOPOAL-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)ccc1F ZINC000468265675 1045136293 /nfs/dbraw/zinc/13/62/93/1045136293.db2.gz GPFYUQKBWWCUCO-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000557444926 1045180721 /nfs/dbraw/zinc/18/07/21/1045180721.db2.gz ANERUXJCIXMMMK-KRWDZBQOSA-N 1 1 312.438 4.082 20 30 DIEDMO C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccco1 ZINC000578034222 1045199990 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C=CCOc1ccccc1C[N@@H+](CCC)CCc1ccccn1 ZINC000579122548 1045294177 /nfs/dbraw/zinc/29/41/77/1045294177.db2.gz JAJZCBHRAJULJU-UHFFFAOYSA-N 1 1 310.441 4.101 20 30 DIEDMO CC1(C#N)CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000449120482 1045348853 /nfs/dbraw/zinc/34/88/53/1045348853.db2.gz DCDFUWWDEYFLCO-IOJLRTSASA-N 1 1 317.521 4.093 20 30 DIEDMO CC1(C#N)CCC([NH2+]C[C@H]2CCCN2CC2CCCCC2)CC1 ZINC000449120482 1045348856 /nfs/dbraw/zinc/34/88/56/1045348856.db2.gz DCDFUWWDEYFLCO-IOJLRTSASA-N 1 1 317.521 4.093 20 30 DIEDMO COc1cccc(C[C@H]2CCCCC[N@H+]2CCCCC#N)c1 ZINC000528751024 1045409871 /nfs/dbraw/zinc/40/98/71/1045409871.db2.gz TZJPTBAQNNDORW-GOSISDBHSA-N 1 1 300.446 4.176 20 30 DIEDMO C[C@H](c1ccc(C[N@H+](CCC#N)CC2CC2)cc1)C(F)(F)F ZINC000450462976 1045509741 /nfs/dbraw/zinc/50/97/41/1045509741.db2.gz LAYQBAYAHVHNTK-CYBMUJFWSA-N 1 1 310.363 4.478 20 30 DIEDMO C[C@H](c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1)C(F)(F)F ZINC000450462976 1045509746 /nfs/dbraw/zinc/50/97/46/1045509746.db2.gz LAYQBAYAHVHNTK-CYBMUJFWSA-N 1 1 310.363 4.478 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000529661815 1045510180 /nfs/dbraw/zinc/51/01/80/1045510180.db2.gz CKKUKHJXQXBRGH-FQEVSTJZSA-N 1 1 312.457 4.176 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2cnc(C)o2)C(C)(C)C)cc1 ZINC000628122262 1045524400 /nfs/dbraw/zinc/52/44/00/1045524400.db2.gz QGRMNWAVLVAIEU-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO N#CC1(C[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCC1 ZINC000450596148 1045526302 /nfs/dbraw/zinc/52/63/02/1045526302.db2.gz SICTYJVTUWXHQK-UHFFFAOYSA-N 1 1 317.436 4.407 20 30 DIEDMO N#CC1(C[N@@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CCC1 ZINC000450596148 1045526315 /nfs/dbraw/zinc/52/63/15/1045526315.db2.gz SICTYJVTUWXHQK-UHFFFAOYSA-N 1 1 317.436 4.407 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619453 1045549078 /nfs/dbraw/zinc/54/90/78/1045549078.db2.gz MZQGNKZLBJHBLU-OXJNMPFZSA-N 1 1 306.409 4.172 20 30 DIEDMO CCCC[N@H+]1Cc2ccc(N=Cc3c(O)cccc3OC)cc2C1 ZINC000750950385 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CC(C)c1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000451065909 1045622226 /nfs/dbraw/zinc/62/22/26/1045622226.db2.gz SJOUDDNEXNTLRE-HNNXBMFYSA-N 1 1 314.458 4.186 20 30 DIEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963059 1045635670 /nfs/dbraw/zinc/63/56/70/1045635670.db2.gz LUMZLIOSHRZNRK-LAUBAEHRSA-N 1 1 320.436 4.067 20 30 DIEDMO CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000530366442 1045652601 /nfs/dbraw/zinc/65/26/01/1045652601.db2.gz GTCQLOROFQABSD-VQIMIIECSA-N 1 1 312.457 4.433 20 30 DIEDMO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1cc(C#N)n(C)c1 ZINC000191443439 1045705565 /nfs/dbraw/zinc/70/55/65/1045705565.db2.gz VVNCTDZRNXPPST-MRXNPFEDSA-N 1 1 322.456 4.196 20 30 DIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1cc(C#N)n(C)c1 ZINC000191443439 1045705582 /nfs/dbraw/zinc/70/55/82/1045705582.db2.gz VVNCTDZRNXPPST-MRXNPFEDSA-N 1 1 322.456 4.196 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(F)cc3C#N)C2)c1 ZINC000452011443 1045757312 /nfs/dbraw/zinc/75/73/12/1045757312.db2.gz DCLMPJQFPMSSMG-RUCARUNLSA-N 1 1 324.399 4.084 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(Cl)ccc2Cl)c1 ZINC000753852855 1045809217 /nfs/dbraw/zinc/80/92/17/1045809217.db2.gz GQKABDLJAPITFJ-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000753988508 1045827650 /nfs/dbraw/zinc/82/76/50/1045827650.db2.gz QXDMWSURKKJUCA-CYBMUJFWSA-N 1 1 324.424 4.141 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)c1cccs1 ZINC000801916402 1045837914 /nfs/dbraw/zinc/83/79/14/1045837914.db2.gz XJMSLIONZXVETH-CVEARBPZSA-N 1 1 314.454 4.240 20 30 DIEDMO CCCCCCC[N@H+](C)Cc1csc(Br)n1 ZINC001137581611 1045896809 /nfs/dbraw/zinc/89/68/09/1045896809.db2.gz FHMAHDDIDAGWIQ-UHFFFAOYSA-N 1 1 305.285 4.308 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1csc(Br)n1 ZINC001137581611 1045896815 /nfs/dbraw/zinc/89/68/15/1045896815.db2.gz FHMAHDDIDAGWIQ-UHFFFAOYSA-N 1 1 305.285 4.308 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2ncccc12 ZINC001137623276 1045911768 /nfs/dbraw/zinc/91/17/68/1045911768.db2.gz YTQKOKIMLKEITR-UHFFFAOYSA-N 1 1 301.393 4.151 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2ncccc12 ZINC001137623276 1045911777 /nfs/dbraw/zinc/91/17/77/1045911777.db2.gz YTQKOKIMLKEITR-UHFFFAOYSA-N 1 1 301.393 4.151 20 30 DIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC001137632906 1045913677 /nfs/dbraw/zinc/91/36/77/1045913677.db2.gz PZQGIXYEEQJCBT-TXEJJXNPSA-N 1 1 307.235 4.084 20 30 DIEDMO CC(C)[N@@H+](Cc1ccccn1)Cc1ccccc1C(C)(C)C#N ZINC000531757253 1045918403 /nfs/dbraw/zinc/91/84/03/1045918403.db2.gz KADVZDNGCVJETF-UHFFFAOYSA-N 1 1 307.441 4.293 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2C)c(C#N)c1 ZINC001137699677 1045937711 /nfs/dbraw/zinc/93/77/11/1045937711.db2.gz PPTIJPAVFIECBX-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704921 1045940693 /nfs/dbraw/zinc/94/06/93/1045940693.db2.gz ZNNLAWZNRVWUAV-SFHVURJKSA-N 1 1 320.436 4.337 20 30 DIEDMO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(OC)cc1C#N ZINC001137706092 1045941872 /nfs/dbraw/zinc/94/18/72/1045941872.db2.gz OAPQXOBHZNWXPE-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(OC)cc1C#N ZINC001137706092 1045941886 /nfs/dbraw/zinc/94/18/86/1045941886.db2.gz OAPQXOBHZNWXPE-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CCCCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000755250984 1045966974 /nfs/dbraw/zinc/96/69/74/1045966974.db2.gz PUFQYTCTEYZCJX-ZWKOTPCHSA-N 1 1 323.525 4.053 20 30 DIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc(O)cc2)c2ccccn21 ZINC000755625208 1046002731 /nfs/dbraw/zinc/00/27/31/1046002731.db2.gz HHVHUIOYOOMODB-ZHACJKMWSA-N 1 1 306.365 4.059 20 30 DIEDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1ccc(C#N)cc1F ZINC000453265494 1046010249 /nfs/dbraw/zinc/01/02/49/1046010249.db2.gz CPEYBXQUEWRGBY-FHSNZYRGSA-N 1 1 310.372 4.260 20 30 DIEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902836783 1046083273 /nfs/dbraw/zinc/08/32/73/1046083273.db2.gz MTHVNGAGEJHUDG-JKSUJKDBSA-N 1 1 323.440 4.290 20 30 DIEDMO CC#CC[C@H](CC)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228544990 1046089364 /nfs/dbraw/zinc/08/93/64/1046089364.db2.gz CLNMDIFMTURONQ-AWEZNQCLSA-N 1 1 324.262 4.082 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1cccc(C#N)c1 ZINC000902881170 1046100042 /nfs/dbraw/zinc/10/00/42/1046100042.db2.gz GFSYIXMQADUMLS-IBGZPJMESA-N 1 1 308.429 4.111 20 30 DIEDMO Cc1cc(O)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000194653328 1046103262 /nfs/dbraw/zinc/10/32/62/1046103262.db2.gz UBEFWEYAUPDDOT-UHFFFAOYSA-N 1 1 306.409 4.045 20 30 DIEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccncc1 ZINC000756583304 1046104259 /nfs/dbraw/zinc/10/42/59/1046104259.db2.gz MXLNOJSGRDQQTF-MEDUHNTESA-N 1 1 304.340 4.033 20 30 DIEDMO CC[N@H+](c1ccc(N[C@@H](C)c2cc(C#N)ccn2)cc1)C(C)C ZINC000902899123 1046104756 /nfs/dbraw/zinc/10/47/56/1046104756.db2.gz DQBADYMEALNGHK-HNNXBMFYSA-N 1 1 308.429 4.361 20 30 DIEDMO CC[N@H+](Cc1cc(F)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000195594381 1046124204 /nfs/dbraw/zinc/12/42/04/1046124204.db2.gz QSWCVHHGFGPXJK-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](Cc1cc(F)ccc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000195594381 1046124209 /nfs/dbraw/zinc/12/42/09/1046124209.db2.gz QSWCVHHGFGPXJK-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000756776522 1046132461 /nfs/dbraw/zinc/13/24/61/1046132461.db2.gz PUTJSDRZKUGFBA-SJCJKPOMSA-N 1 1 301.336 4.086 20 30 DIEDMO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000902987683 1046137271 /nfs/dbraw/zinc/13/72/71/1046137271.db2.gz JZOMCWKOVRIYSO-BZNIZROVSA-N 1 1 301.340 4.033 20 30 DIEDMO CC[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C#N)c1 ZINC000902987685 1046137378 /nfs/dbraw/zinc/13/73/78/1046137378.db2.gz JZOMCWKOVRIYSO-ZBEGNZNMSA-N 1 1 301.340 4.033 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CCCC1 ZINC000756910784 1046150658 /nfs/dbraw/zinc/15/06/58/1046150658.db2.gz APOSQZFKQWRIKT-UHFFFAOYSA-N 1 1 320.436 4.038 20 30 DIEDMO C[N@@H+](Cc1ccncc1)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335377 1046153322 /nfs/dbraw/zinc/15/33/22/1046153322.db2.gz ORSBTHKPCJPCNH-UHFFFAOYSA-N 1 1 312.416 4.113 20 30 DIEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@H](C)C1 ZINC001138336043 1046153878 /nfs/dbraw/zinc/15/38/78/1046153878.db2.gz IMJUPWFRTDMTHK-GCJKJVERSA-N 1 1 319.448 4.086 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000903081717 1046158822 /nfs/dbraw/zinc/15/88/22/1046158822.db2.gz XKSROMWASLVQRE-MSOLQXFVSA-N 1 1 300.352 4.449 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2cccc(F)c2o1 ZINC000475704096 1046160803 /nfs/dbraw/zinc/16/08/03/1046160803.db2.gz ZBBAZUQJWWVHEA-LLVKDONJSA-N 1 1 312.319 4.433 20 30 DIEDMO N#CC1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000903106064 1046165772 /nfs/dbraw/zinc/16/57/72/1046165772.db2.gz MBIZJAXBHDOOHF-CQSZACIVSA-N 1 1 309.438 4.081 20 30 DIEDMO CSC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000903105531 1046165891 /nfs/dbraw/zinc/16/58/91/1046165891.db2.gz DKWJAVLZYSDRMA-CYBMUJFWSA-N 1 1 314.376 4.003 20 30 DIEDMO Cc1c(C[N@@H+]2CCc3ccc(C#N)cc3C2)[nH]c2ccc(F)cc12 ZINC001138410161 1046169777 /nfs/dbraw/zinc/16/97/77/1046169777.db2.gz UHDPFYUVWSYCSK-UHFFFAOYSA-N 1 1 319.383 4.045 20 30 DIEDMO Cc1c(C[N@H+]2CCc3ccc(C#N)cc3C2)[nH]c2ccc(F)cc12 ZINC001138410161 1046169784 /nfs/dbraw/zinc/16/97/84/1046169784.db2.gz UHDPFYUVWSYCSK-UHFFFAOYSA-N 1 1 319.383 4.045 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(CC2CCC2)c1 ZINC000903127251 1046170574 /nfs/dbraw/zinc/17/05/74/1046170574.db2.gz HKTGNVWPYGINRQ-OXJNMPFZSA-N 1 1 322.456 4.379 20 30 DIEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000757405323 1046175018 /nfs/dbraw/zinc/17/50/18/1046175018.db2.gz LCBZJJZQOUPIRW-MRXNPFEDSA-N 1 1 307.846 4.036 20 30 DIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000757405323 1046175026 /nfs/dbraw/zinc/17/50/26/1046175026.db2.gz LCBZJJZQOUPIRW-MRXNPFEDSA-N 1 1 307.846 4.036 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138457248 1046188779 /nfs/dbraw/zinc/18/87/79/1046188779.db2.gz OKJHVXPMURLUQO-UHFFFAOYSA-N 1 1 319.493 4.468 20 30 DIEDMO C=CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C(C)(C)C ZINC001138507711 1046204516 /nfs/dbraw/zinc/20/45/16/1046204516.db2.gz JAVREJOUNOFRNR-UHFFFAOYSA-N 1 1 311.473 4.335 20 30 DIEDMO N#Cc1csc(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)n1 ZINC000903264603 1046214209 /nfs/dbraw/zinc/21/42/09/1046214209.db2.gz UMGVGYQLJOWVAT-HNNXBMFYSA-N 1 1 317.845 4.225 20 30 DIEDMO CC[C@@]1(C)CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001168163501 1046219298 /nfs/dbraw/zinc/21/92/98/1046219298.db2.gz NQOAFNHTUGMFTE-INIZCTEOSA-N 1 1 311.347 4.059 20 30 DIEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001307507035 1046224866 /nfs/dbraw/zinc/22/48/66/1046224866.db2.gz RDFRXDCUIOWHDA-HNNXBMFYSA-N 1 1 321.262 4.331 20 30 DIEDMO C=CC[N@@H+](Cc1cncn1Cc1ccccc1)C1CCCCC1 ZINC001138565564 1046227926 /nfs/dbraw/zinc/22/79/26/1046227926.db2.gz RJTURJRRCQTCJA-UHFFFAOYSA-N 1 1 309.457 4.252 20 30 DIEDMO C=CCc1cccc(C[N@H+](CC(=O)c2ccccc2)C(C)C)c1O ZINC001138627635 1046245889 /nfs/dbraw/zinc/24/58/89/1046245889.db2.gz CZXHTHASDMXNPM-UHFFFAOYSA-N 1 1 323.436 4.214 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1O ZINC001138625180 1046246303 /nfs/dbraw/zinc/24/63/03/1046246303.db2.gz GCYJOVHIOVSEDA-QGZVFWFLSA-N 1 1 323.436 4.119 20 30 DIEDMO C=CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC001138652273 1046256821 /nfs/dbraw/zinc/25/68/21/1046256821.db2.gz CTCMASFXGNXBBO-UHFFFAOYSA-N 1 1 321.399 4.200 20 30 DIEDMO C=CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)Cc1ccccc1 ZINC001138652273 1046256830 /nfs/dbraw/zinc/25/68/30/1046256830.db2.gz CTCMASFXGNXBBO-UHFFFAOYSA-N 1 1 321.399 4.200 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001138662892 1046259060 /nfs/dbraw/zinc/25/90/60/1046259060.db2.gz GSCZYVJEPRWPRT-MRXNPFEDSA-N 1 1 313.363 4.211 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001138664125 1046259777 /nfs/dbraw/zinc/25/97/77/1046259777.db2.gz JLGXADSRTKPQFA-SFHVURJKSA-N 1 1 308.425 4.026 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](CCC)CCc1ccccn1 ZINC001138665265 1046260069 /nfs/dbraw/zinc/26/00/69/1046260069.db2.gz KKLYJAPYJJRWNG-UHFFFAOYSA-N 1 1 324.468 4.491 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001138664639 1046260986 /nfs/dbraw/zinc/26/09/86/1046260986.db2.gz SRHRUJFHHVDFLK-SFHVURJKSA-N 1 1 308.425 4.026 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+](C(C)C)C1CCOCC1 ZINC001138666072 1046261038 /nfs/dbraw/zinc/26/10/38/1046261038.db2.gz HOSAPNVWUDMOHN-UHFFFAOYSA-N 1 1 303.446 4.031 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000245714011 1046261808 /nfs/dbraw/zinc/26/18/08/1046261808.db2.gz GNNRQJIUXNJJEI-YRNRMSPPSA-N 1 1 306.409 4.170 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)cc1 ZINC000245718279 1046262684 /nfs/dbraw/zinc/26/26/84/1046262684.db2.gz HMLQTPBKZKFWDP-SQGPQFPESA-N 1 1 320.436 4.355 20 30 DIEDMO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)C1CCCCC1 ZINC001138803539 1046297301 /nfs/dbraw/zinc/29/73/01/1046297301.db2.gz SMQPGQZNZAJZRC-UHFFFAOYSA-N 1 1 307.507 4.310 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc2ccccc2n1 ZINC001138866959 1046316207 /nfs/dbraw/zinc/31/62/07/1046316207.db2.gz ZWYGCNCGMBAHCI-UHFFFAOYSA-N 1 1 303.409 4.208 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)cnc1Cl ZINC001138893392 1046322016 /nfs/dbraw/zinc/32/20/16/1046322016.db2.gz DONFCNWYENVEBZ-UHFFFAOYSA-N 1 1 304.796 4.452 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)cnc1Cl ZINC001138893392 1046322027 /nfs/dbraw/zinc/32/20/27/1046322027.db2.gz DONFCNWYENVEBZ-UHFFFAOYSA-N 1 1 304.796 4.452 20 30 DIEDMO C=CCCCC[N@@H+](C)Cc1cc(Br)cnc1Cl ZINC001138945929 1046333658 /nfs/dbraw/zinc/33/36/58/1046333658.db2.gz VEKNPWNDMHIYTE-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cc(Br)cnc1Cl ZINC001138945929 1046333674 /nfs/dbraw/zinc/33/36/74/1046333674.db2.gz VEKNPWNDMHIYTE-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO CCCCOc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001138952044 1046334568 /nfs/dbraw/zinc/33/45/68/1046334568.db2.gz HLWWKILDLQZVSI-UHFFFAOYSA-N 1 1 320.436 4.295 20 30 DIEDMO CCCCOc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001138952044 1046334577 /nfs/dbraw/zinc/33/45/77/1046334577.db2.gz HLWWKILDLQZVSI-UHFFFAOYSA-N 1 1 320.436 4.295 20 30 DIEDMO CC(=[NH+]Nc1cc(C)ccc1C)c1ccc(N2CCCC2)cc1O ZINC000748244744 1046358369 /nfs/dbraw/zinc/35/83/69/1046358369.db2.gz RDZGUNBJBTVYPP-UHFFFAOYSA-N 1 1 323.440 4.445 20 30 DIEDMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139070638 1046380363 /nfs/dbraw/zinc/38/03/63/1046380363.db2.gz PWPKDCOPZZQTEO-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(SC)c(OC)c1 ZINC000796641241 1046381406 /nfs/dbraw/zinc/38/14/06/1046381406.db2.gz NPCLYTDEDFKELX-UHFFFAOYSA-N 1 1 311.450 4.053 20 30 DIEDMO C=CCCCC[N@@H+](C)Cc1ccc(Br)nc1Cl ZINC001139114978 1046389551 /nfs/dbraw/zinc/38/95/51/1046389551.db2.gz ZCEGVPNGBXBFPN-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(Br)nc1Cl ZINC001139114978 1046389563 /nfs/dbraw/zinc/38/95/63/1046389563.db2.gz ZCEGVPNGBXBFPN-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO CCn1ccc2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc21 ZINC001139120601 1046390140 /nfs/dbraw/zinc/39/01/40/1046390140.db2.gz XASNRENOTPBPLZ-UHFFFAOYSA-N 1 1 303.409 4.165 20 30 DIEDMO N#C[C@H]1CC[N@@H+](Cc2c3ccccc3[nH]c2-c2ccccc2)C1 ZINC001139199254 1046410311 /nfs/dbraw/zinc/41/03/11/1046410311.db2.gz CXWMIXRXDKGJCD-OAHLLOKOSA-N 1 1 301.393 4.180 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000639571650 1046413742 /nfs/dbraw/zinc/41/37/42/1046413742.db2.gz KXFAUCUPBHIIRI-AWEZNQCLSA-N 1 1 307.397 4.459 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000639571650 1046413744 /nfs/dbraw/zinc/41/37/44/1046413744.db2.gz KXFAUCUPBHIIRI-AWEZNQCLSA-N 1 1 307.397 4.459 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC34CCCC4)cc2)c1 ZINC001139402641 1046443357 /nfs/dbraw/zinc/44/33/57/1046443357.db2.gz VGCVRSFJPHORHQ-UHFFFAOYSA-N 1 1 303.409 4.139 20 30 DIEDMO CCC[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC1 ZINC001139400004 1046443667 /nfs/dbraw/zinc/44/36/67/1046443667.db2.gz BKVVZLUMIGSNFG-UHFFFAOYSA-N 1 1 305.425 4.242 20 30 DIEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1C ZINC001139402534 1046443758 /nfs/dbraw/zinc/44/37/58/1046443758.db2.gz TYHFODVDAJRKBN-SJORKVTESA-N 1 1 319.452 4.488 20 30 DIEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406628 1046443939 /nfs/dbraw/zinc/44/39/39/1046443939.db2.gz XNHFPMBJZIWYCE-FQEVSTJZSA-N 1 1 305.425 4.241 20 30 DIEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400141 1046443976 /nfs/dbraw/zinc/44/39/76/1046443976.db2.gz HYGNCESGQRNRIC-INIZCTEOSA-N 1 1 305.425 4.242 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@H]1C ZINC001139402527 1046444108 /nfs/dbraw/zinc/44/41/08/1046444108.db2.gz TYHFODVDAJRKBN-DLBZAZTESA-N 1 1 319.452 4.488 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2)nc1)Cc1cccc(C#N)c1 ZINC001139522142 1046462047 /nfs/dbraw/zinc/46/20/47/1046462047.db2.gz QCJJGAYFKYEUDY-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1F ZINC001139527239 1046463121 /nfs/dbraw/zinc/46/31/21/1046463121.db2.gz BVPRYCBKCMGCDH-KRWDZBQOSA-N 1 1 308.400 4.152 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C(C)C ZINC001139618035 1046486619 /nfs/dbraw/zinc/48/66/19/1046486619.db2.gz IRWZMXRFCUHENG-UHFFFAOYSA-N 1 1 308.425 4.322 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)s1 ZINC000127847611 1046487412 /nfs/dbraw/zinc/48/74/12/1046487412.db2.gz FZRRYHPLBHKLME-CYBMUJFWSA-N 1 1 323.421 4.141 20 30 DIEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929187 1046487889 /nfs/dbraw/zinc/48/78/89/1046487889.db2.gz GUOWETRWLGTHRQ-XLIONFOSSA-N 1 1 311.473 4.049 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1CC ZINC001139625258 1046490160 /nfs/dbraw/zinc/49/01/60/1046490160.db2.gz DOBDZXOKQLDXKN-UHFFFAOYSA-N 1 1 308.425 4.151 20 30 DIEDMO C=CCCC[C@H](C)n1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641234872 1046490562 /nfs/dbraw/zinc/49/05/62/1046490562.db2.gz VWDMUPWMRQGVSA-MEDUHNTESA-N 1 1 322.815 4.036 20 30 DIEDMO Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651608 1046494731 /nfs/dbraw/zinc/49/47/31/1046494731.db2.gz RDSAFEWOTVWKJP-SFHVURJKSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139651608 1046494737 /nfs/dbraw/zinc/49/47/37/1046494737.db2.gz RDSAFEWOTVWKJP-SFHVURJKSA-N 1 1 324.399 4.049 20 30 DIEDMO C=C(C[NH2+][C@@H](C)c1ncc(Br)s1)c1ccccc1 ZINC000677416747 1046494888 /nfs/dbraw/zinc/49/48/88/1046494888.db2.gz REKDGQTUEHHOOC-NSHDSACASA-N 1 1 323.259 4.270 20 30 DIEDMO CC[N@H+](CCC#N)Cc1cc2cc(Br)ccc2s1 ZINC001139667059 1046496762 /nfs/dbraw/zinc/49/67/62/1046496762.db2.gz JVJLCJSNXOOSOM-UHFFFAOYSA-N 1 1 323.259 4.399 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1cc2cc(Br)ccc2s1 ZINC001139667059 1046496765 /nfs/dbraw/zinc/49/67/65/1046496765.db2.gz JVJLCJSNXOOSOM-UHFFFAOYSA-N 1 1 323.259 4.399 20 30 DIEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1c[nH]c2c1cccc2C#N ZINC001139706115 1046501721 /nfs/dbraw/zinc/50/17/21/1046501721.db2.gz LZOGQSKYXCZSOW-RMKNXTFCSA-N 1 1 301.393 4.185 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726379 1046505557 /nfs/dbraw/zinc/50/55/57/1046505557.db2.gz LEAKNKZFNUKHOC-LJQANCHMSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccc(N[NH+]=C(C)c2ccc(N(C)C)cc2)cc1Cl ZINC000782232828 1046509000 /nfs/dbraw/zinc/50/90/00/1046509000.db2.gz UTXOTRBNNWFYHH-UHFFFAOYSA-N 1 1 317.820 4.251 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC001139770053 1046514675 /nfs/dbraw/zinc/51/46/75/1046514675.db2.gz ASLKMWYNHUECJJ-QGZVFWFLSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)cn1 ZINC001139770053 1046514687 /nfs/dbraw/zinc/51/46/87/1046514687.db2.gz ASLKMWYNHUECJJ-QGZVFWFLSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCn1cc(C[N@H+](C)C(c2ccccc2)c2ccccc2)cn1 ZINC001139766226 1046515046 /nfs/dbraw/zinc/51/50/46/1046515046.db2.gz MSIGVLCFNXSMBY-UHFFFAOYSA-N 1 1 317.436 4.291 20 30 DIEDMO C=CCn1cc(C[N@H+](C)[C@H](C)c2cccc3ccccc32)cn1 ZINC001139771238 1046516001 /nfs/dbraw/zinc/51/60/01/1046516001.db2.gz UIXFKGWMBSZHLQ-MRXNPFEDSA-N 1 1 305.425 4.415 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(Cl)s2)cn1 ZINC001139772665 1046516835 /nfs/dbraw/zinc/51/68/35/1046516835.db2.gz OIOVVUCULKACOA-ZDUSSCGKSA-N 1 1 307.850 4.121 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(Cl)s2)cn1 ZINC001139772665 1046516840 /nfs/dbraw/zinc/51/68/40/1046516840.db2.gz OIOVVUCULKACOA-ZDUSSCGKSA-N 1 1 307.850 4.121 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000782494980 1046530722 /nfs/dbraw/zinc/53/07/22/1046530722.db2.gz FNAJSJYIQXJIOG-KRWDZBQOSA-N 1 1 314.772 4.102 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874946 1046539241 /nfs/dbraw/zinc/53/92/41/1046539241.db2.gz BQLBZUXYZNPBGD-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO C[N@@H+](Cc1ccc2ccccc2c1)Cc1cc(F)cc(C#N)c1 ZINC001139878715 1046539390 /nfs/dbraw/zinc/53/93/90/1046539390.db2.gz VCUBLIKXWHPUQT-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C=CC[N@H+](Cc1cnc(Br)s1)C1CCCCC1 ZINC001139916664 1046551944 /nfs/dbraw/zinc/55/19/44/1046551944.db2.gz UJJRDVLOPPEQQJ-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1cnc(Br)s1 ZINC001139913747 1046552249 /nfs/dbraw/zinc/55/22/49/1046552249.db2.gz KZJAEMDNCLCDBY-UHFFFAOYSA-N 1 1 305.285 4.308 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H]3c3cccs3)c2c1 ZINC001140113864 1046591215 /nfs/dbraw/zinc/59/12/15/1046591215.db2.gz FQYLKHRWHGWORE-KRWDZBQOSA-N 1 1 307.422 4.438 20 30 DIEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116141 1046593378 /nfs/dbraw/zinc/59/33/78/1046593378.db2.gz SRMDRUOKVHWGEQ-AWEZNQCLSA-N 1 1 319.408 4.241 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000678238445 1046595208 /nfs/dbraw/zinc/59/52/08/1046595208.db2.gz JFTYKFZGIGINRM-NRFANRHFSA-N 1 1 323.436 4.215 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116142 1046595734 /nfs/dbraw/zinc/59/57/34/1046595734.db2.gz SRMDRUOKVHWGEQ-CQSZACIVSA-N 1 1 319.408 4.241 20 30 DIEDMO Cc1cccc(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)c1 ZINC001140139952 1046598213 /nfs/dbraw/zinc/59/82/13/1046598213.db2.gz GYYGDWRVEXHRDY-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000245506058 1046610003 /nfs/dbraw/zinc/61/00/03/1046610003.db2.gz NFBYBWZOFDRCBB-PBHICJAKSA-N 1 1 312.438 4.376 20 30 DIEDMO C=CCC[N@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccccc1 ZINC001140233119 1046621211 /nfs/dbraw/zinc/62/12/11/1046621211.db2.gz GFGMRNHCEJPYRY-UHFFFAOYSA-N 1 1 306.409 4.452 20 30 DIEDMO C=CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccc(C)cc12 ZINC001140253216 1046625714 /nfs/dbraw/zinc/62/57/14/1046625714.db2.gz JNDUHSHIMMJFNA-UHFFFAOYSA-N 1 1 314.429 4.351 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1 ZINC000093689156 1046634992 /nfs/dbraw/zinc/63/49/92/1046634992.db2.gz FCPWEIUNCFJSHB-HNNXBMFYSA-N 1 1 320.392 4.356 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C1CC1)C1CC1 ZINC000533003683 1046638212 /nfs/dbraw/zinc/63/82/12/1046638212.db2.gz JBTKANXADLBIKQ-UHFFFAOYSA-N 1 1 323.358 4.057 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)C1 ZINC001140296540 1046643399 /nfs/dbraw/zinc/64/33/99/1046643399.db2.gz SHUABFSAQXTSML-ZDUSSCGKSA-N 1 1 316.857 4.309 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccccc1-c1cnc(N)nc1 ZINC001140323148 1046655334 /nfs/dbraw/zinc/65/53/34/1046655334.db2.gz IGUAHDYXZVHOTM-UHFFFAOYSA-N 1 1 312.461 4.128 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(-c2nccs2)c1)C1CCCC1 ZINC001140335228 1046662638 /nfs/dbraw/zinc/66/26/38/1046662638.db2.gz UBYZWVNZLBLXBX-UHFFFAOYSA-N 1 1 311.454 4.468 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000784158426 1046669147 /nfs/dbraw/zinc/66/91/47/1046669147.db2.gz LCBGMFPMHBAWQD-LJQANCHMSA-N 1 1 312.363 4.368 20 30 DIEDMO C=CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2cc(C)ccc12 ZINC001140376964 1046678531 /nfs/dbraw/zinc/67/85/31/1046678531.db2.gz NSXWMDGTOXHGNI-UHFFFAOYSA-N 1 1 314.429 4.351 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccccn2)cc1 ZINC001140378931 1046678918 /nfs/dbraw/zinc/67/89/18/1046678918.db2.gz GVQATWIACRLPSD-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715869 1046691395 /nfs/dbraw/zinc/69/13/95/1046691395.db2.gz GSYCQHNAIMEVBZ-MXWKQRLJSA-N 1 1 303.290 4.404 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000533299962 1046692294 /nfs/dbraw/zinc/69/22/94/1046692294.db2.gz TYDIDAQPCHOJMD-ZDUSSCGKSA-N 1 1 303.381 4.143 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000841762497 1046696987 /nfs/dbraw/zinc/69/69/87/1046696987.db2.gz PHYZLHPAVZDPLF-KZULUSFZSA-N 1 1 310.372 4.131 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000841762500 1046697443 /nfs/dbraw/zinc/69/74/43/1046697443.db2.gz PHYZLHPAVZDPLF-XIKOKIGWSA-N 1 1 310.372 4.131 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000533425097 1046720917 /nfs/dbraw/zinc/72/09/17/1046720917.db2.gz MMZZIPIDLRQUPB-KRWDZBQOSA-N 1 1 302.462 4.309 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1C#N ZINC000533538742 1046745213 /nfs/dbraw/zinc/74/52/13/1046745213.db2.gz YKEIISUGDGUYFY-IBGZPJMESA-N 1 1 306.409 4.076 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001140510370 1046758576 /nfs/dbraw/zinc/75/85/76/1046758576.db2.gz OCIQKAKYRUQPQA-JKGDOXCYSA-N 1 1 308.510 4.236 20 30 DIEDMO CC[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000796972803 1046766978 /nfs/dbraw/zinc/76/69/78/1046766978.db2.gz SEQIHEXRVFVNFN-ROUUACIJSA-N 1 1 310.372 4.131 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cc1 ZINC000797007871 1046770739 /nfs/dbraw/zinc/77/07/39/1046770739.db2.gz 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DIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccccc3)CC2)c1F ZINC001143166873 1047536173 /nfs/dbraw/zinc/53/61/73/1047536173.db2.gz MRUXGJHFDFCMEL-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1F ZINC001143173609 1047537183 /nfs/dbraw/zinc/53/71/83/1047537183.db2.gz AAWURTQCTOAMLJ-QGZVFWFLSA-N 1 1 304.384 4.381 20 30 DIEDMO C[N@H+](CCc1ccc(Cl)cc1)Cc1c(F)ccc(C#N)c1F ZINC001143173367 1047537243 /nfs/dbraw/zinc/53/72/43/1047537243.db2.gz YOCGKWSNRFSFHB-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1c(F)ccc(C#N)c1F ZINC001143173367 1047537248 /nfs/dbraw/zinc/53/72/48/1047537248.db2.gz YOCGKWSNRFSFHB-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO CC(C)(CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000092667130 1047537475 /nfs/dbraw/zinc/53/74/75/1047537475.db2.gz PFQUXPVLQBUWOX-SFHVURJKSA-N 1 1 318.436 4.137 20 30 DIEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)ccc1Oc1cccnc1 ZINC000093091468 1047543262 /nfs/dbraw/zinc/54/32/62/1047543262.db2.gz 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C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000538510833 1047685328 /nfs/dbraw/zinc/68/53/28/1047685328.db2.gz NJYAPIUMZOACJP-MNOVXSKESA-N 1 1 304.315 4.387 20 30 DIEDMO N#Cc1nc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC001155955970 1047692937 /nfs/dbraw/zinc/69/29/37/1047692937.db2.gz JKZPNWZNMLIGDG-UHFFFAOYSA-N 1 1 314.820 4.212 20 30 DIEDMO Cc1nc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)ccc1CC#N ZINC001155962666 1047693418 /nfs/dbraw/zinc/69/34/18/1047693418.db2.gz YXEOVEYCPKTCJA-UHFFFAOYSA-N 1 1 308.429 4.062 20 30 DIEDMO COc1ccsc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538721990 1047701131 /nfs/dbraw/zinc/70/11/31/1047701131.db2.gz QUKMOIIYCZCFJF-CVEARBPZSA-N 1 1 312.438 4.028 20 30 DIEDMO COc1ccsc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000538721990 1047701138 /nfs/dbraw/zinc/70/11/38/1047701138.db2.gz QUKMOIIYCZCFJF-CVEARBPZSA-N 1 1 312.438 4.028 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000538736639 1047703282 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Cc1[nH+]c(NCCOc2cccc3ccccc32)ccc1CC#N ZINC001158151846 1047770191 /nfs/dbraw/zinc/77/01/91/1047770191.db2.gz GJQGSIQOSUSXFI-UHFFFAOYSA-N 1 1 317.392 4.100 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001159209578 1047821155 /nfs/dbraw/zinc/82/11/55/1047821155.db2.gz ZYDNKHSUAPIZRD-ZWKOTPCHSA-N 1 1 308.510 4.070 20 30 DIEDMO COc1cc(C[N@H+]2CCc3ccc(C(C)C)cc3C2)ccc1C#N ZINC001182782271 1047845193 /nfs/dbraw/zinc/84/51/93/1047845193.db2.gz PDVFBXAWBUIJQM-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1sccc1OC)c1ccc(F)c(F)c1 ZINC000479410561 1047885441 /nfs/dbraw/zinc/88/54/41/1047885441.db2.gz MFLVCRVUTWSFRM-MRXNPFEDSA-N 1 1 309.381 4.442 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3C)c2C)C1 ZINC001183065799 1047888514 /nfs/dbraw/zinc/88/85/14/1047888514.db2.gz PGOMAOIWLBHOPH-SFHVURJKSA-N 1 1 309.457 4.196 20 30 DIEDMO COc1cccc([C@@]2(C)CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC001174573584 1047890277 /nfs/dbraw/zinc/89/02/77/1047890277.db2.gz FWCBYXDDGNBDSW-KKSFZXQISA-N 1 1 320.436 4.291 20 30 DIEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(C#N)cc3C)C2)c1 ZINC001174575832 1047892475 /nfs/dbraw/zinc/89/24/75/1047892475.db2.gz ZCWAVMKPKBCZCD-OAQYLSRUSA-N 1 1 320.436 4.039 20 30 DIEDMO CCCc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001183181870 1047901319 /nfs/dbraw/zinc/90/13/19/1047901319.db2.gz ZCGMABRHLSZNPE-UHFFFAOYSA-N 1 1 304.437 4.263 20 30 DIEDMO C=CC[N@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001174642090 1047919126 /nfs/dbraw/zinc/91/91/26/1047919126.db2.gz PYJLFQTYXWXPPH-INIZCTEOSA-N 1 1 324.509 4.310 20 30 DIEDMO C=CCCCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000479538429 1047922512 /nfs/dbraw/zinc/92/25/12/1047922512.db2.gz BUJRRQUYHVSOLC-QGZVFWFLSA-N 1 1 314.473 4.034 20 30 DIEDMO C#CC[N@H+](Cc1cccc(N(C)C)c1)[C@H]1CCCc2ccccc21 ZINC001198103903 1047928191 /nfs/dbraw/zinc/92/81/91/1047928191.db2.gz KVBHOCMWPYKWBR-QFIPXVFZSA-N 1 1 318.464 4.265 20 30 DIEDMO C#CC[N@H+](CCc1scnc1C)[C@H]1CCCc2ccccc21 ZINC001198104025 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CCCCCC[N@H+](Cc1ccc(C)o1)Cc1cccc(C#N)n1 ZINC001183909632 1047980789 /nfs/dbraw/zinc/98/07/89/1047980789.db2.gz PLEAREMGWCVLEG-UHFFFAOYSA-N 1 1 311.429 4.437 20 30 DIEDMO CCCCCC[N@@H+](Cc1ccc(C)o1)Cc1cccc(C#N)n1 ZINC001183909632 1047980796 /nfs/dbraw/zinc/98/07/96/1047980796.db2.gz PLEAREMGWCVLEG-UHFFFAOYSA-N 1 1 311.429 4.437 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]c(C)ccc1CC#N ZINC001160182680 1047991174 /nfs/dbraw/zinc/99/11/74/1047991174.db2.gz JWZJYPQUWKNZFB-OAHLLOKOSA-N 1 1 307.397 4.194 20 30 DIEDMO CCCCCCC[N@@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001198720967 1047997636 /nfs/dbraw/zinc/99/76/36/1047997636.db2.gz UJNAFSCTUVNBPB-LJQANCHMSA-N 1 1 321.461 4.048 20 30 DIEDMO CCCCCCC[N@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001198720967 1047997643 /nfs/dbraw/zinc/99/76/43/1047997643.db2.gz UJNAFSCTUVNBPB-LJQANCHMSA-N 1 1 321.461 4.048 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001198704768 1047999345 /nfs/dbraw/zinc/99/93/45/1047999345.db2.gz FGKWMZTULNOALU-NRFANRHFSA-N 1 1 320.436 4.139 20 30 DIEDMO C=C(C)CC[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001174974464 1048036529 /nfs/dbraw/zinc/03/65/29/1048036529.db2.gz DTZZEYDTVOCCFE-UHFFFAOYSA-N 1 1 309.457 4.223 20 30 DIEDMO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000554372775 1048085139 /nfs/dbraw/zinc/08/51/39/1048085139.db2.gz VOFLGZJALAZVJI-PISHQANHSA-N 1 1 314.335 4.009 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000554487830 1048113343 /nfs/dbraw/zinc/11/33/43/1048113343.db2.gz QSRMWKVLZSWNNQ-QGZVFWFLSA-N 1 1 305.381 4.012 20 30 DIEDMO Cc1ccc(CC#N)c(NCC2(Cc3ccccc3C)CC2)[nH+]1 ZINC001161610209 1048143263 /nfs/dbraw/zinc/14/32/63/1048143263.db2.gz QGDDTMWUZJEJOU-UHFFFAOYSA-N 1 1 305.425 4.199 20 30 DIEDMO Cc1ccc(CC(C)(C)CNc2[nH+]c(C)ccc2CC#N)cc1 ZINC001161620429 1048145957 /nfs/dbraw/zinc/14/59/57/1048145957.db2.gz UKGZNYLULJJVMS-UHFFFAOYSA-N 1 1 307.441 4.445 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480730987 1048231762 /nfs/dbraw/zinc/23/17/62/1048231762.db2.gz JMCWNOHSNHIZEF-UHFFFAOYSA-N 1 1 307.235 4.085 20 30 DIEDMO Cc1ccc(C#N)c(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC001162010776 1048214241 /nfs/dbraw/zinc/21/42/41/1048214241.db2.gz SXQBGFFLZURUPE-UHFFFAOYSA-N 1 1 306.413 4.386 20 30 DIEDMO CC1CC[NH+](c2ccc(NCc3csc(C#N)c3)cc2)CC1 ZINC001201234928 1048222326 /nfs/dbraw/zinc/22/23/26/1048222326.db2.gz UKYLKQHRCBOREY-UHFFFAOYSA-N 1 1 311.454 4.468 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001186070249 1048258306 /nfs/dbraw/zinc/25/83/06/1048258306.db2.gz NSTRACFOINBILD-CABCVRRESA-N 1 1 315.436 4.071 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@H]2/C=C/c2ccccc2)n1 ZINC000555092530 1048267072 /nfs/dbraw/zinc/26/70/72/1048267072.db2.gz IKDILLKXWPCFTL-ZGKFYVQTSA-N 1 1 323.465 4.473 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)n1 ZINC000555092530 1048267084 /nfs/dbraw/zinc/26/70/84/1048267084.db2.gz IKDILLKXWPCFTL-ZGKFYVQTSA-N 1 1 323.465 4.473 20 30 DIEDMO N#CCC1CC[NH+](C/C(Br)=C/c2ccccc2)CC1 ZINC001201460115 1048270021 /nfs/dbraw/zinc/27/00/21/1048270021.db2.gz MZQZEMAXCYXLQH-VBKFSLOCSA-N 1 1 319.246 4.048 20 30 DIEDMO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@@H]1c1ccccc1 ZINC000555095416 1048271382 /nfs/dbraw/zinc/27/13/82/1048271382.db2.gz YBEMTLDBWIKVBB-YOEHRIQHSA-N 1 1 311.454 4.030 20 30 DIEDMO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@@H]1c1ccccc1 ZINC000555095416 1048271400 /nfs/dbraw/zinc/27/14/00/1048271400.db2.gz YBEMTLDBWIKVBB-YOEHRIQHSA-N 1 1 311.454 4.030 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201489155 1048280554 /nfs/dbraw/zinc/28/05/54/1048280554.db2.gz AIPJIGQGRHDXOM-HSALFYBXSA-N 1 1 321.505 4.195 20 30 DIEDMO Cc1cc([NH+]2CCCCCC2)ccc1Nc1ncccc1C#N ZINC001186396970 1048295910 /nfs/dbraw/zinc/29/59/10/1048295910.db2.gz MWKNKJIKHGNRLM-UHFFFAOYSA-N 1 1 306.413 4.386 20 30 DIEDMO C#Cc1ccccc1NC1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001201478143 1048296463 /nfs/dbraw/zinc/29/64/63/1048296463.db2.gz XTFZTLLBJGNVCD-RTWAWAEBSA-N 1 1 314.432 4.401 20 30 DIEDMO C=CCc1cc(C)c[nH+]c1NCCc1ccc(C(F)(F)F)nc1 ZINC001162614476 1048313541 /nfs/dbraw/zinc/31/35/41/1048313541.db2.gz XYNKQNXFUUHTIO-UHFFFAOYSA-N 1 1 321.346 4.187 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@@H](CC)CCCC)CCC2 ZINC001201558305 1048317731 /nfs/dbraw/zinc/31/77/31/1048317731.db2.gz AZLQGFMKQANNEG-KRWDZBQOSA-N 1 1 319.493 4.008 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@H](CC)CCCC)CCC2 ZINC001201558306 1048318175 /nfs/dbraw/zinc/31/81/75/1048318175.db2.gz AZLQGFMKQANNEG-QGZVFWFLSA-N 1 1 319.493 4.008 20 30 DIEDMO CCCCCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001201631444 1048327811 /nfs/dbraw/zinc/32/78/11/1048327811.db2.gz SQGKFPLHANXOMP-HXUWFJFHSA-N 1 1 324.553 4.314 20 30 DIEDMO C#Cc1ccc(CNc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)cc1 ZINC001201617580 1048333281 /nfs/dbraw/zinc/33/32/81/1048333281.db2.gz JDMLHJDOUZVSLV-KRWDZBQOSA-N 1 1 319.452 4.362 20 30 DIEDMO C[C@@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCOCCC#N ZINC000555377712 1048334800 /nfs/dbraw/zinc/33/48/00/1048334800.db2.gz SMFKNGDLOZYPBP-KRWDZBQOSA-N 1 1 308.425 4.277 20 30 DIEDMO Cc1ccc2c(C3=CC[N@H+]([C@@H]4CC[C@@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404142 1048339011 /nfs/dbraw/zinc/33/90/11/1048339011.db2.gz BJLAKPQNKDKLDY-NVXWUHKLSA-N 1 1 305.425 4.258 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2cccc(Cl)c2C#N)C1 ZINC000555415251 1048340611 /nfs/dbraw/zinc/34/06/11/1048340611.db2.gz LHUGUKQJLCGDOD-AWEZNQCLSA-N 1 1 305.853 4.136 20 30 DIEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481265383 1048347970 /nfs/dbraw/zinc/34/79/70/1048347970.db2.gz AWYJAEBMZVHMNL-SMDDNHRTSA-N 1 1 307.235 4.084 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000481290624 1048357921 /nfs/dbraw/zinc/35/79/21/1048357921.db2.gz XADVIZATUJTNGR-FQEVSTJZSA-N 1 1 322.452 4.491 20 30 DIEDMO C=C(C)C[N@H+](C)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000481290624 1048357932 /nfs/dbraw/zinc/35/79/32/1048357932.db2.gz XADVIZATUJTNGR-FQEVSTJZSA-N 1 1 322.452 4.491 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121498 1048368067 /nfs/dbraw/zinc/36/80/67/1048368067.db2.gz VFHXGRXUCQYJLS-KZNAEPCWSA-N 1 1 300.471 4.044 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccc2[nH]ccc2c1 ZINC000600121535 1048368451 /nfs/dbraw/zinc/36/84/51/1048368451.db2.gz WAIDSUUMCZYLGH-CTNGQTDRSA-N 1 1 315.420 4.440 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001201762229 1048370004 /nfs/dbraw/zinc/37/00/04/1048370004.db2.gz BSVOUGNUJWKQPQ-MRXNPFEDSA-N 1 1 324.509 4.146 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001201813215 1048377177 /nfs/dbraw/zinc/37/71/77/1048377177.db2.gz CJSWRSGPMMDCSI-KRWDZBQOSA-N 1 1 321.509 4.199 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001201815155 1048378163 /nfs/dbraw/zinc/37/81/63/1048378163.db2.gz XUULIKFSVZARRK-SFHVURJKSA-N 1 1 321.509 4.199 20 30 DIEDMO N#Cc1cccc2c1C[N@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC000600177336 1048383024 /nfs/dbraw/zinc/38/30/24/1048383024.db2.gz QGYHCTWBDRDIQB-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO N#Cc1cccc2c1C[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC000600177336 1048383036 /nfs/dbraw/zinc/38/30/36/1048383036.db2.gz QGYHCTWBDRDIQB-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000600186373 1048386313 /nfs/dbraw/zinc/38/63/13/1048386313.db2.gz YECZLVOXJVFACI-HNNXBMFYSA-N 1 1 306.400 4.474 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201839385 1048386744 /nfs/dbraw/zinc/38/67/44/1048386744.db2.gz MQPDWXRIDFUWBL-CABCVRRESA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201846753 1048387643 /nfs/dbraw/zinc/38/76/43/1048387643.db2.gz KVLMCOUODAGMSG-UHFFFAOYSA-N 1 1 317.399 4.468 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201846753 1048387657 /nfs/dbraw/zinc/38/76/57/1048387657.db2.gz KVLMCOUODAGMSG-UHFFFAOYSA-N 1 1 317.399 4.468 20 30 DIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCCc2cccnc21 ZINC000481398252 1048391623 /nfs/dbraw/zinc/39/16/23/1048391623.db2.gz DFCPPKOWKNUXMY-IBGZPJMESA-N 1 1 305.425 4.243 20 30 DIEDMO CCCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201875031 1048393288 /nfs/dbraw/zinc/39/32/88/1048393288.db2.gz OARSWKBSADSZAO-QGZVFWFLSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCC[C@@H](C)CNC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001201906211 1048399709 /nfs/dbraw/zinc/39/97/09/1048399709.db2.gz HPLKNAVABATHFN-CQSZACIVSA-N 1 1 305.466 4.238 20 30 DIEDMO C=C(C)[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000481573920 1048432139 /nfs/dbraw/zinc/43/21/39/1048432139.db2.gz UUILOSFRWBWAMB-YJBOKZPZSA-N 1 1 308.416 4.046 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCSC1 ZINC000555841416 1048450462 /nfs/dbraw/zinc/45/04/62/1048450462.db2.gz KLYONBRSRKHHIX-SFHVURJKSA-N 1 1 308.450 4.163 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481671459 1048452374 /nfs/dbraw/zinc/45/23/74/1048452374.db2.gz BPRMLPDEGSTZIZ-IIBYNOLFSA-N 1 1 318.420 4.141 20 30 DIEDMO C=C(Br)C[N@@H+]1CC[C@H](c2cccc(OC)c2)C1(C)C ZINC001175822573 1048465771 /nfs/dbraw/zinc/46/57/71/1048465771.db2.gz XLQSMMUBYFJBNL-OAHLLOKOSA-N 1 1 324.262 4.172 20 30 DIEDMO CCC1(CC)CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001175898415 1048476574 /nfs/dbraw/zinc/47/65/74/1048476574.db2.gz OGVNGYHUDXDTEN-UHFFFAOYSA-N 1 1 321.262 4.475 20 30 DIEDMO CCCC1(CCC)CCC[N@H+]1CCOc1ccccc1C#N ZINC001175897732 1048477629 /nfs/dbraw/zinc/47/76/29/1048477629.db2.gz CMGKKDXRFBIKBQ-UHFFFAOYSA-N 1 1 300.446 4.372 20 30 DIEDMO CCc1ccc(F)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1 ZINC001163684988 1048503583 /nfs/dbraw/zinc/50/35/83/1048503583.db2.gz GVTRAIPGRJHVIO-UHFFFAOYSA-N 1 1 310.294 4.444 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC001175935175 1048504617 /nfs/dbraw/zinc/50/46/17/1048504617.db2.gz IGDMQGIZCILQFD-INIZCTEOSA-N 1 1 310.363 4.262 20 30 DIEDMO CC(=O)C=C(C)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC001163742312 1048515529 /nfs/dbraw/zinc/51/55/29/1048515529.db2.gz ZSYJLIDCYOWLRH-GDNBJRDFSA-N 1 1 306.409 4.107 20 30 DIEDMO CC(=O)C=C(C)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001163742312 1048515536 /nfs/dbraw/zinc/51/55/36/1048515536.db2.gz ZSYJLIDCYOWLRH-GDNBJRDFSA-N 1 1 306.409 4.107 20 30 DIEDMO Cc1cc2[nH]c(C[N@H+](C)Cc3ccc(C#N)cc3)cc2c(C)c1 ZINC000481919711 1048527542 /nfs/dbraw/zinc/52/75/42/1048527542.db2.gz DOCAKDNLIVHNRL-UHFFFAOYSA-N 1 1 303.409 4.288 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccc(C(C)C)cc1 ZINC001163816373 1048530469 /nfs/dbraw/zinc/53/04/69/1048530469.db2.gz CJNIEVPTDWCSPE-UHFFFAOYSA-N 1 1 306.413 4.353 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1C[C@@H]1C ZINC001204169778 1048581459 /nfs/dbraw/zinc/58/14/59/1048581459.db2.gz BALVSUDNDHAGRE-RYUDHWBXSA-N 1 1 312.226 4.232 20 30 DIEDMO CC(C)[N@H+](CC#Cc1cccc(Cl)c1)CCc1nccs1 ZINC000159922147 1048612137 /nfs/dbraw/zinc/61/21/37/1048612137.db2.gz WEUFTEUOZYXTGB-UHFFFAOYSA-N 1 1 318.873 4.101 20 30 DIEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000482568815 1048636941 /nfs/dbraw/zinc/63/69/41/1048636941.db2.gz RTJFTLNZUNYGGJ-LJQANCHMSA-N 1 1 312.363 4.000 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000482688827 1048661138 /nfs/dbraw/zinc/66/11/38/1048661138.db2.gz FMJUMOYSLSCIAA-LBPRGKRZSA-N 1 1 305.422 4.303 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000482688827 1048661146 /nfs/dbraw/zinc/66/11/46/1048661146.db2.gz FMJUMOYSLSCIAA-LBPRGKRZSA-N 1 1 305.422 4.303 20 30 DIEDMO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(OCC#N)cc1 ZINC000775336947 1048678722 /nfs/dbraw/zinc/67/87/22/1048678722.db2.gz UTJADAAPBKDASR-GFCCVEGCSA-N 1 1 318.779 4.232 20 30 DIEDMO C[N@@H+](Cc1ccccc1Br)CC(C)(C)CCC#N ZINC000160387001 1048679639 /nfs/dbraw/zinc/67/96/39/1048679639.db2.gz NUJCWIGBMPYKMD-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C#CC[N@@H+](CCOCc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC001176453702 1048688258 /nfs/dbraw/zinc/68/82/58/1048688258.db2.gz XNTNQTIFXPLNGG-JOCHJYFZSA-N 1 1 319.448 4.216 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000160545817 1048710265 /nfs/dbraw/zinc/71/02/65/1048710265.db2.gz AOPQHJAPZREORE-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)c1C ZINC001190349016 1048724690 /nfs/dbraw/zinc/72/46/90/1048724690.db2.gz PABFUDXVIKMBLB-UHFFFAOYSA-N 1 1 308.425 4.288 20 30 DIEDMO C#CC[N@H+](CCCc1ccccc1OC)[C@@H]1CCc2ccccc21 ZINC001190526714 1048749819 /nfs/dbraw/zinc/74/98/19/1048749819.db2.gz CNUCOMAXJOJTIF-OAQYLSRUSA-N 1 1 319.448 4.251 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483173464 1048752723 /nfs/dbraw/zinc/75/27/23/1048752723.db2.gz HBWLDWPYUURIGO-NSHDSACASA-N 1 1 322.239 4.397 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483173464 1048752737 /nfs/dbraw/zinc/75/27/37/1048752737.db2.gz HBWLDWPYUURIGO-NSHDSACASA-N 1 1 322.239 4.397 20 30 DIEDMO Cn1cc(C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)cc1C#N ZINC000483172458 1048753002 /nfs/dbraw/zinc/75/30/02/1048753002.db2.gz LEDFZULNUMUTKV-UHFFFAOYSA-N 1 1 315.420 4.215 20 30 DIEDMO Cn1cc(C[N@@H+](Cc2ccccc2)C2CCCCC2)cc1C#N ZINC000483186488 1048755675 /nfs/dbraw/zinc/75/56/75/1048755675.db2.gz VAFZGXCYGVILQE-UHFFFAOYSA-N 1 1 307.441 4.232 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccc(C)cc1 ZINC001190562050 1048756333 /nfs/dbraw/zinc/75/63/33/1048756333.db2.gz XXQFVDDIKSMICZ-UHFFFAOYSA-N 1 1 308.425 4.158 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000775399174 1048756423 /nfs/dbraw/zinc/75/64/23/1048756423.db2.gz QGXWAAQLMXILEH-QGZVFWFLSA-N 1 1 308.406 4.257 20 30 DIEDMO CCOc1ccc2c(c1)C[N@H+](CCC1(C#N)CCCCC1)CC2 ZINC001190570271 1048756465 /nfs/dbraw/zinc/75/64/65/1048756465.db2.gz BNFABHXUDKAQCU-UHFFFAOYSA-N 1 1 312.457 4.308 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1 ZINC000775399172 1048757061 /nfs/dbraw/zinc/75/70/61/1048757061.db2.gz QGXWAAQLMXILEH-KRWDZBQOSA-N 1 1 308.406 4.257 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1 ZINC000775401171 1048758950 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C=CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc(Cl)c1 ZINC000743263196 1051010396 /nfs/dbraw/zinc/01/03/96/1051010396.db2.gz HSNWKHDNWZHCSO-SFHVURJKSA-N 1 1 319.807 4.201 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cccc(Cl)c1 ZINC000743263196 1051010406 /nfs/dbraw/zinc/01/04/06/1051010406.db2.gz HSNWKHDNWZHCSO-SFHVURJKSA-N 1 1 319.807 4.201 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)c1cc(C)cc(C)c1 ZINC000743264194 1051010555 /nfs/dbraw/zinc/01/05/55/1051010555.db2.gz SOJSOKOIJFFRKQ-FQEVSTJZSA-N 1 1 313.416 4.164 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(SC(F)F)c(OC)c1 ZINC000773005080 1051018257 /nfs/dbraw/zinc/01/82/57/1051018257.db2.gz ODRUPUUSDSOEKD-SECBINFHSA-N 1 1 307.793 4.413 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000791565363 1051061936 /nfs/dbraw/zinc/06/19/36/1051061936.db2.gz BFTGGYVAICBLAG-UHFFFAOYSA-N 1 1 306.409 4.167 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000791613103 1051063211 /nfs/dbraw/zinc/06/32/11/1051063211.db2.gz BCNUIMBGGDUUPA-CQSZACIVSA-N 1 1 324.490 4.345 20 30 DIEDMO C#CC[C@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000773113855 1051067033 /nfs/dbraw/zinc/06/70/33/1051067033.db2.gz GBQHNQRRTOSZSD-QFIPXVFZSA-N 1 1 318.464 4.005 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c(C)c1 ZINC000791606910 1051067686 /nfs/dbraw/zinc/06/76/86/1051067686.db2.gz WFZHUPGLYPUVMQ-LJQANCHMSA-N 1 1 320.436 4.195 20 30 DIEDMO COc1ccc(Cl)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC001171400447 1051088929 /nfs/dbraw/zinc/08/89/29/1051088929.db2.gz WPNNSOMGEDHREX-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(Cl)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC001171400447 1051088940 /nfs/dbraw/zinc/08/89/40/1051088940.db2.gz WPNNSOMGEDHREX-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000792268147 1051132809 /nfs/dbraw/zinc/13/28/09/1051132809.db2.gz JEZDBYUFYDCCEA-QGZVFWFLSA-N 1 1 307.482 4.150 20 30 DIEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000792268147 1051132817 /nfs/dbraw/zinc/13/28/17/1051132817.db2.gz JEZDBYUFYDCCEA-QGZVFWFLSA-N 1 1 307.482 4.150 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459301 1051140100 /nfs/dbraw/zinc/14/01/00/1051140100.db2.gz SRMOFNUGRMWTNB-WMZOPIPTSA-N 1 1 312.457 4.215 20 30 DIEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(C3CCCCC3)n2)C1 ZINC001171489236 1051143620 /nfs/dbraw/zinc/14/36/20/1051143620.db2.gz DNJHDUNAYDVWQL-OAHLLOKOSA-N 1 1 302.487 4.426 20 30 DIEDMO Cc1ccc(C[N@@H+](CC#Cc2ccc(Cl)cc2)CC2CC2)cn1 ZINC001171501206 1051156566 /nfs/dbraw/zinc/15/65/66/1051156566.db2.gz HVOIZGVURUPEIB-UHFFFAOYSA-N 1 1 324.855 4.307 20 30 DIEDMO C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc(C#N)cc1 ZINC001170235391 1051157847 /nfs/dbraw/zinc/15/78/47/1051157847.db2.gz ZMLNVGLQDROBIJ-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1ccc(C#N)cc1 ZINC001170235390 1051158103 /nfs/dbraw/zinc/15/81/03/1051158103.db2.gz ZMLNVGLQDROBIJ-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO C=CCCCNc1ccc(-c2cccc(C(=O)OC)c2)c(C)[nH+]1 ZINC001170298535 1051177924 /nfs/dbraw/zinc/17/79/24/1051177924.db2.gz GRYMMJBHWZCTIH-UHFFFAOYSA-N 1 1 310.397 4.222 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC001170308307 1051187028 /nfs/dbraw/zinc/18/70/28/1051187028.db2.gz OGXUWDBRPHGRKI-FQEVSTJZSA-N 1 1 301.540 4.360 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001170388998 1051195796 /nfs/dbraw/zinc/19/57/96/1051195796.db2.gz IYLMBKAREGJXIQ-LSJNQWAISA-N 1 1 318.411 4.368 20 30 DIEDMO C[N@@H+](Cc1cccc(O)c1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378544 1051199163 /nfs/dbraw/zinc/19/91/63/1051199163.db2.gz DRFVYOIUXJMEES-UHFFFAOYSA-N 1 1 320.436 4.228 20 30 DIEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCCOC1 ZINC001171730258 1051201541 /nfs/dbraw/zinc/20/15/41/1051201541.db2.gz SPZDTSLTUWHLPS-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC001171841341 1051231146 /nfs/dbraw/zinc/23/11/46/1051231146.db2.gz NHPGFKQQCHPAQT-AWEZNQCLSA-N 1 1 313.363 4.372 20 30 DIEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001171971855 1051261599 /nfs/dbraw/zinc/26/15/99/1051261599.db2.gz APOJZACIVFSZEY-HIFRSBDPSA-N 1 1 310.363 4.262 20 30 DIEDMO CC(C)(C)C#CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171975146 1051263960 /nfs/dbraw/zinc/26/39/60/1051263960.db2.gz LEIOWNJLGYKQQX-LJQANCHMSA-N 1 1 312.501 4.069 20 30 DIEDMO CC(C)(C)C#CC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975146 1051263983 /nfs/dbraw/zinc/26/39/83/1051263983.db2.gz LEIOWNJLGYKQQX-LJQANCHMSA-N 1 1 312.501 4.069 20 30 DIEDMO CCC[C@@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980156 1051267983 /nfs/dbraw/zinc/26/79/83/1051267983.db2.gz PNPNEEZXMRXPEB-ICSRJNTNSA-N 1 1 313.489 4.102 20 30 DIEDMO CCC[C@@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980157 1051270012 /nfs/dbraw/zinc/27/00/12/1051270012.db2.gz PNPNEEZXMRXPEB-QUCCMNQESA-N 1 1 313.489 4.102 20 30 DIEDMO CC(C)(C)C#CCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172076685 1051279788 /nfs/dbraw/zinc/27/97/88/1051279788.db2.gz KZLFSGFPPNPESP-MZADTFQBSA-N 1 1 324.512 4.211 20 30 DIEDMO CC(C)(C)C#CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172076685 1051279826 /nfs/dbraw/zinc/27/98/26/1051279826.db2.gz KZLFSGFPPNPESP-MZADTFQBSA-N 1 1 324.512 4.211 20 30 DIEDMO C#CC[N@@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000793590099 1051323740 /nfs/dbraw/zinc/32/37/40/1051323740.db2.gz LUSGUEREIKJHNM-UHFFFAOYSA-N 1 1 302.830 4.061 20 30 DIEDMO C#CC[N@H+](Cc1cnc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000793590099 1051323748 /nfs/dbraw/zinc/32/37/48/1051323748.db2.gz LUSGUEREIKJHNM-UHFFFAOYSA-N 1 1 302.830 4.061 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001172305998 1051333968 /nfs/dbraw/zinc/33/39/68/1051333968.db2.gz HNYJYUIKRPQRHJ-UWJYYQICSA-N 1 1 304.437 4.369 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001172307270 1051334017 /nfs/dbraw/zinc/33/40/17/1051334017.db2.gz NMKVMXLXTVDWOG-YWZLYKJASA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC001172310882 1051335728 /nfs/dbraw/zinc/33/57/28/1051335728.db2.gz KZRUUHYLKGIAHE-FOIQADDNSA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001172307967 1051336020 /nfs/dbraw/zinc/33/60/20/1051336020.db2.gz RSJCQSUNDKPGTM-FOIQADDNSA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001172309775 1051336145 /nfs/dbraw/zinc/33/61/45/1051336145.db2.gz WWYGQCWCCNOWOX-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO CC(C)c1nc(C[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cs1 ZINC001172318813 1051339625 /nfs/dbraw/zinc/33/96/25/1051339625.db2.gz JGBOESFNQDNHSE-CQSZACIVSA-N 1 1 313.470 4.201 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172319521 1051339749 /nfs/dbraw/zinc/33/97/49/1051339749.db2.gz NUEFQXBQGCMXLQ-CVEARBPZSA-N 1 1 308.425 4.191 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC001172318782 1051339772 /nfs/dbraw/zinc/33/97/72/1051339772.db2.gz INPHTRAPVJPRIY-HNNXBMFYSA-N 1 1 312.844 4.317 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001172355356 1051370215 /nfs/dbraw/zinc/37/02/15/1051370215.db2.gz NYLXWGQPRDZBOS-INIZCTEOSA-N 1 1 306.498 4.356 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001172355356 1051370221 /nfs/dbraw/zinc/37/02/21/1051370221.db2.gz NYLXWGQPRDZBOS-INIZCTEOSA-N 1 1 306.498 4.356 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001172356914 1051372621 /nfs/dbraw/zinc/37/26/21/1051372621.db2.gz ZQHPCPPTYGPNBZ-MJGOQNOKSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001172359938 1051374027 /nfs/dbraw/zinc/37/40/27/1051374027.db2.gz GKAJFYGACZOBQU-RBUKOAKNSA-N 1 1 310.526 4.457 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)CC(C)C)[C@@H]2CC ZINC001172399405 1051398344 /nfs/dbraw/zinc/39/83/44/1051398344.db2.gz GZEHBPKKTULLSI-GGPKGHCWSA-N 1 1 320.521 4.233 20 30 DIEDMO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H](C)CCCC#N ZINC001172498086 1051418464 /nfs/dbraw/zinc/41/84/64/1051418464.db2.gz IPPWIJAXSGNVJY-DLBZAZTESA-N 1 1 315.461 4.116 20 30 DIEDMO CCC[N@@H+]([C@@H](C)CCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001172498088 1051418813 /nfs/dbraw/zinc/41/88/13/1051418813.db2.gz IPPWIJAXSGNVJY-IRXDYDNUSA-N 1 1 315.461 4.116 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001172495041 1051418979 /nfs/dbraw/zinc/41/89/79/1051418979.db2.gz MCPJZQDVKZFACK-YZGWKJHDSA-N 1 1 312.457 4.107 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001172499327 1051420280 /nfs/dbraw/zinc/42/02/80/1051420280.db2.gz CWYLHOJUGARPIJ-YOEHRIQHSA-N 1 1 306.837 4.266 20 30 DIEDMO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@@H](C)CCCC#N)CC1 ZINC001172499316 1051420943 /nfs/dbraw/zinc/42/09/43/1051420943.db2.gz WEFZPERHISJYNU-BZSNNMDCSA-N 1 1 322.493 4.150 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001172502218 1051422073 /nfs/dbraw/zinc/42/20/73/1051422073.db2.gz TWMQTZDHVPTSDE-FRQCXROJSA-N 1 1 300.446 4.074 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2ccc(Br)cc2C[C@@H]1C ZINC001172506378 1051424826 /nfs/dbraw/zinc/42/48/26/1051424826.db2.gz SGPBFLVJDQVVRJ-OLZOCXBDSA-N 1 1 321.262 4.278 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2ccc(Br)cc2C[C@@H]1C ZINC001172506380 1051425036 /nfs/dbraw/zinc/42/50/36/1051425036.db2.gz SGPBFLVJDQVVRJ-STQMWFEESA-N 1 1 321.262 4.278 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC001172506695 1051425401 /nfs/dbraw/zinc/42/54/01/1051425401.db2.gz ZMPMQCDFVLEGES-OLZOCXBDSA-N 1 1 321.262 4.278 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172508837 1051426603 /nfs/dbraw/zinc/42/66/03/1051426603.db2.gz HQNLLWUEYQRRQV-WMZOPIPTSA-N 1 1 300.446 4.032 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172510345 1051426682 /nfs/dbraw/zinc/42/66/82/1051426682.db2.gz ACJDEQATMIRLHT-FUHWJXTLSA-N 1 1 310.482 4.090 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001172511184 1051428468 /nfs/dbraw/zinc/42/84/68/1051428468.db2.gz NJYXJHGAZKKYBP-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCn2c(CC)nnc2C1 ZINC001172511184 1051428473 /nfs/dbraw/zinc/42/84/73/1051428473.db2.gz NJYXJHGAZKKYBP-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511769 1051428915 /nfs/dbraw/zinc/42/89/15/1051428915.db2.gz WPHWXKGBOHEGEY-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC001172563980 1051442066 /nfs/dbraw/zinc/44/20/66/1051442066.db2.gz SIBLIWXNUUFPAA-CTNGQTDRSA-N 1 1 302.421 4.253 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@@H](c3ccccc3)C1)C2 ZINC001172562529 1051442582 /nfs/dbraw/zinc/44/25/82/1051442582.db2.gz FWFVIMWHWKRSGN-WIYYLYMNSA-N 1 1 302.421 4.253 20 30 DIEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172650786 1051470102 /nfs/dbraw/zinc/47/01/02/1051470102.db2.gz OBJKWBMWWHKXRG-CVEARBPZSA-N 1 1 310.482 4.063 20 30 DIEDMO CC1(C)CC([N@@H+](CCC#N)Cc2ccccc2)CC(C)(C)O1 ZINC001172655388 1051471865 /nfs/dbraw/zinc/47/18/65/1051471865.db2.gz VYQJRAHOYNTADU-UHFFFAOYSA-N 1 1 300.446 4.138 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676289 1051478041 /nfs/dbraw/zinc/47/80/41/1051478041.db2.gz KZMLXXAOQPJART-LJQANCHMSA-N 1 1 316.489 4.080 20 30 DIEDMO C[C@H](Cc1c(F)cccc1Cl)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172856121 1051540699 /nfs/dbraw/zinc/54/06/99/1051540699.db2.gz IWRBTGZOXLKNLV-SYQHCUMBSA-N 1 1 306.812 4.177 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000177909226 1051555057 /nfs/dbraw/zinc/55/50/57/1051555057.db2.gz KHYBONCBIUSOJK-LBPRGKRZSA-N 1 1 313.272 4.294 20 30 DIEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccc(Oc2ccccc2)cc1 ZINC001169232393 1051557637 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CO[C@@H]1CCC[C@@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946485 1051580977 /nfs/dbraw/zinc/58/09/77/1051580977.db2.gz UJUWEQFNHGVMBN-IAGOWNOFSA-N 1 1 306.837 4.013 20 30 DIEDMO CO[C@@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946485 1051580983 /nfs/dbraw/zinc/58/09/83/1051580983.db2.gz UJUWEQFNHGVMBN-IAGOWNOFSA-N 1 1 306.837 4.013 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@@H+]3CCC[C@@H](C#N)CC3)cc2c1 ZINC001137923039 1051599354 /nfs/dbraw/zinc/59/93/54/1051599354.db2.gz XGTOCQCORQKXHV-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[N@H+]3CCC[C@@H](C#N)CC3)cc2c1 ZINC001137923039 1051599361 /nfs/dbraw/zinc/59/93/61/1051599361.db2.gz XGTOCQCORQKXHV-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO O=C1C=C2C[N@@H+](C3CCC4(CCCCC4)CC3)CCC2S1 ZINC001173116330 1051613364 /nfs/dbraw/zinc/61/33/64/1051613364.db2.gz MANGALGQFSUDKP-MRXNPFEDSA-N 1 1 305.487 4.154 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC001169451338 1051616393 /nfs/dbraw/zinc/61/63/93/1051616393.db2.gz 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C=CC[C@H]1[N@H+](Cc2cccc3nsnc32)CCCC1(C)C ZINC001169843425 1051712300 /nfs/dbraw/zinc/71/23/00/1051712300.db2.gz CJKNQBDYOVHZRB-OAHLLOKOSA-N 1 1 301.459 4.258 20 30 DIEDMO COC(=O)CCCC[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001173455725 1051729698 /nfs/dbraw/zinc/72/96/98/1051729698.db2.gz UGCIDEUQHOUNPB-QGZVFWFLSA-N 1 1 322.493 4.437 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc2c1CCOC2 ZINC001169952994 1051736804 /nfs/dbraw/zinc/73/68/04/1051736804.db2.gz NYUQHXKAUPRRIR-UHFFFAOYSA-N 1 1 307.437 4.338 20 30 DIEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000766923431 1051740910 /nfs/dbraw/zinc/74/09/10/1051740910.db2.gz YQJCVUOJUXWBKS-KRWDZBQOSA-N 1 1 309.457 4.210 20 30 DIEDMO Cc1ccccc1O[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596434 1051756789 /nfs/dbraw/zinc/75/67/89/1051756789.db2.gz WWQBAIPJLDQEDE-QPIRBTGLSA-N 1 1 312.457 4.311 20 30 DIEDMO CC[N@@H+](CCc1ccc(OC)cc1)C1CCC(C)(C#N)CC1 ZINC001173601170 1051757223 /nfs/dbraw/zinc/75/72/23/1051757223.db2.gz 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Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC001229213111 1053274962 /nfs/dbraw/zinc/27/49/62/1053274962.db2.gz KVWKNKHTMWBTMZ-UTKZUKDTSA-N 1 1 320.436 4.156 20 30 DIEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)CC(C)(C)CCC#N ZINC000092008933 1053278183 /nfs/dbraw/zinc/27/81/83/1053278183.db2.gz SYZXAAIORRTFQX-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)N[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000181749154 1053286266 /nfs/dbraw/zinc/28/62/66/1053286266.db2.gz VUOHOSFKCXPRGI-SJORKVTESA-N 1 1 321.468 4.338 20 30 DIEDMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181749169 1053286543 /nfs/dbraw/zinc/28/65/43/1053286543.db2.gz VUOHOSFKCXPRGI-IAGOWNOFSA-N 1 1 321.468 4.338 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000618281996 1053288481 /nfs/dbraw/zinc/28/84/81/1053288481.db2.gz KQIYTROKYVGWNQ-KRWDZBQOSA-N 1 1 302.487 4.497 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000618309259 1053293348 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C#CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)CC1CC1 ZINC001320134765 1053309925 /nfs/dbraw/zinc/30/99/25/1053309925.db2.gz FVALZCXVBJGASA-UHFFFAOYSA-N 1 1 314.816 4.149 20 30 DIEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCCSCC#N)CC2)c1 ZINC000092426853 1053321551 /nfs/dbraw/zinc/32/15/51/1053321551.db2.gz VANNNIMQORNTTF-UHFFFAOYSA-N 1 1 300.471 4.039 20 30 DIEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001320428709 1053336028 /nfs/dbraw/zinc/33/60/28/1053336028.db2.gz DLXPOGDCUFKYRM-AWEZNQCLSA-N 1 1 314.816 4.168 20 30 DIEDMO C=C[C@H](COC)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC001320592627 1053348910 /nfs/dbraw/zinc/34/89/10/1053348910.db2.gz SDVYFGDDHBDOFQ-PSASIEDQSA-N 1 1 306.258 4.223 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)c2cccs2)CC1 ZINC001320603146 1053349042 /nfs/dbraw/zinc/34/90/42/1053349042.db2.gz HCIHNXPJXFRKEY-CQSZACIVSA-N 1 1 324.449 4.276 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)C1 ZINC001320835724 1053366112 /nfs/dbraw/zinc/36/61/12/1053366112.db2.gz BLNZXCKSGASHGF-ZDUSSCGKSA-N 1 1 319.351 4.002 20 30 DIEDMO Cc1cc(C[NH+]2CCC(C(=O)c3cccs3)CC2)ccc1C#N ZINC001320899465 1053374195 /nfs/dbraw/zinc/37/41/95/1053374195.db2.gz KWFDYAKAKLIKOH-UHFFFAOYSA-N 1 1 324.449 4.023 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2cc(C)ccc2OC)CC1 ZINC000093405891 1053401701 /nfs/dbraw/zinc/40/17/01/1053401701.db2.gz WGDMULFZFNXYEQ-IBGZPJMESA-N 1 1 316.489 4.085 20 30 DIEDMO C[C@@H]1SCC[N@@H+](CC(C)(C)CCC#N)[C@H]1c1ccccc1 ZINC000093535716 1053422299 /nfs/dbraw/zinc/42/22/99/1053422299.db2.gz JNKRVHUPWCOCAA-DOTOQJQBSA-N 1 1 302.487 4.495 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cc3ccccc3[nH]2)C2CC2)cc1 ZINC000619069289 1053426202 /nfs/dbraw/zinc/42/62/02/1053426202.db2.gz YRMYWLCWOZBDFF-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1ccco1 ZINC001321903589 1053441554 /nfs/dbraw/zinc/44/15/54/1053441554.db2.gz IZYYHFZHSWEMEA-HNNXBMFYSA-N 1 1 322.355 4.116 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000093838561 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C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Oc1ccccc1CC#N ZINC001230276669 1053511335 /nfs/dbraw/zinc/51/13/35/1053511335.db2.gz ZRANCOKVMURGQL-YLJYHZDGSA-N 1 1 320.436 4.042 20 30 DIEDMO CCCCCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001230487606 1053546884 /nfs/dbraw/zinc/54/68/84/1053546884.db2.gz KIUNVLMTEGMHBB-UHFFFAOYSA-N 1 1 323.525 4.007 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Br)c1ccsc1 ZINC000619782799 1053558630 /nfs/dbraw/zinc/55/86/30/1053558630.db2.gz JWWVMCMLOUSDEJ-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@@H](CC)c2cc(F)ccc2F)CC1 ZINC000152974190 1053564935 /nfs/dbraw/zinc/56/49/35/1053564935.db2.gz YSYXZAUZJKAPQA-SFHVURJKSA-N 1 1 308.416 4.046 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000153001776 1053568699 /nfs/dbraw/zinc/56/86/99/1053568699.db2.gz CMYFPZKSYCVLAQ-SFHVURJKSA-N 1 1 308.416 4.046 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC000154741247 1053748335 /nfs/dbraw/zinc/74/83/35/1053748335.db2.gz HCYDFNFQHLRDFU-HZPDHXFCSA-N 1 1 310.363 4.491 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC000154741247 1053748339 /nfs/dbraw/zinc/74/83/39/1053748339.db2.gz HCYDFNFQHLRDFU-HZPDHXFCSA-N 1 1 310.363 4.491 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231450297 1053755983 /nfs/dbraw/zinc/75/59/83/1053755983.db2.gz PATGYOSMHMXWNJ-UHFFFAOYSA-N 1 1 323.868 4.118 20 30 DIEDMO Cc1[nH+]ccn1CCCSCc1ccccc1C(C)(C)C#N ZINC001326166714 1053760368 /nfs/dbraw/zinc/76/03/68/1053760368.db2.gz PQZKNBOKPHTBFP-UHFFFAOYSA-N 1 1 313.470 4.316 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1ccncc1 ZINC001200562929 1053765173 /nfs/dbraw/zinc/76/51/73/1053765173.db2.gz RUZWDHWUZHUXHT-INIZCTEOSA-N 1 1 322.437 4.007 20 30 DIEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(C)c1C ZINC001231492411 1053769114 /nfs/dbraw/zinc/76/91/14/1053769114.db2.gz JQHQRSCQCWJQDY-GOSISDBHSA-N 1 1 315.482 4.003 20 30 DIEDMO Cc1c(C)c(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)c1C ZINC001231492411 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COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001231618585 1053805775 /nfs/dbraw/zinc/80/57/75/1053805775.db2.gz OPVOJDZGUMFWDV-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccccc1F ZINC001231618453 1053805821 /nfs/dbraw/zinc/80/58/21/1053805821.db2.gz KTBGOXHXVOBIML-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001231618453 1053805837 /nfs/dbraw/zinc/80/58/37/1053805837.db2.gz KTBGOXHXVOBIML-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C(C)C ZINC001231627436 1053808817 /nfs/dbraw/zinc/80/88/17/1053808817.db2.gz CBLKPXKQXHZIFU-XGWQRUHWSA-N 1 1 312.457 4.394 20 30 DIEDMO C#Cc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC001231656011 1053821355 /nfs/dbraw/zinc/82/13/55/1053821355.db2.gz IILTUTFYHRUOJT-QFIPXVFZSA-N 1 1 312.416 4.075 20 30 DIEDMO C#Cc1cccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC001231656011 1053821371 /nfs/dbraw/zinc/82/13/71/1053821371.db2.gz 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COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccccc2CC#N)c1 ZINC001235522197 1054735823 /nfs/dbraw/zinc/73/58/23/1054735823.db2.gz ASMPWGJFUQHXJW-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1-c1ccncc1 ZINC001235619920 1054757935 /nfs/dbraw/zinc/75/79/35/1054757935.db2.gz ZVLZKHZDCNHQLT-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C#CC[N@H+](Cc1ccc(CC)cn1)[C@H]1CCCc2ccccc21 ZINC001473826114 1054760506 /nfs/dbraw/zinc/76/05/06/1054760506.db2.gz LMVAZAZQOWOAOQ-NRFANRHFSA-N 1 1 304.437 4.157 20 30 DIEDMO Cc1cc2c(cc1Br)C[N@H+](CCC(C)(C)C#N)CC2 ZINC001473825510 1054761313 /nfs/dbraw/zinc/76/13/13/1054761313.db2.gz VKLTWGSRCRDDEN-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO Cc1cc2c(cc1Br)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC001473825510 1054761328 /nfs/dbraw/zinc/76/13/28/1054761328.db2.gz VKLTWGSRCRDDEN-UHFFFAOYSA-N 1 1 321.262 4.056 20 30 DIEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC001473862902 1054762224 /nfs/dbraw/zinc/76/22/24/1054762224.db2.gz OMPBWOHBWSRSST-LJQANCHMSA-N 1 1 311.510 4.255 20 30 DIEDMO COc1cccc(C[N@@H+](CCC#N)C2CCCCCCC2)c1N ZINC001235663877 1054763922 /nfs/dbraw/zinc/76/39/22/1054763922.db2.gz MQAGUYNDOZFVAL-UHFFFAOYSA-N 1 1 315.461 4.106 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1c(F)ccc(N)c1F ZINC001235703484 1054787214 /nfs/dbraw/zinc/78/72/14/1054787214.db2.gz WGLYUMFBMWMESX-UHFFFAOYSA-N 1 1 302.368 4.125 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1c(F)ccc(N)c1F ZINC001235703484 1054787226 /nfs/dbraw/zinc/78/72/26/1054787226.db2.gz WGLYUMFBMWMESX-UHFFFAOYSA-N 1 1 302.368 4.125 20 30 DIEDMO Cc1nc2cc(C[N@@H+]3CCc4ccc(C#N)cc4C3)ccc2s1 ZINC001235849248 1054823809 /nfs/dbraw/zinc/82/38/09/1054823809.db2.gz BTWHSNIEMDNNQE-UHFFFAOYSA-N 1 1 319.433 4.035 20 30 DIEDMO Cc1nc2cc(C[N@H+]3CCc4ccc(C#N)cc4C3)ccc2s1 ZINC001235849248 1054823813 /nfs/dbraw/zinc/82/38/13/1054823813.db2.gz BTWHSNIEMDNNQE-UHFFFAOYSA-N 1 1 319.433 4.035 20 30 DIEDMO Cc1nc2cc(C[N@@H+]3CCc4cc(C#N)ccc4C3)ccc2s1 ZINC001235850870 1054823849 /nfs/dbraw/zinc/82/38/49/1054823849.db2.gz 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COc1ccc2sc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2c1 ZINC001236664980 1055221164 /nfs/dbraw/zinc/22/11/64/1055221164.db2.gz XFHQBBUQXPQBLB-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO COc1cc2ccccc2cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001236677226 1055224930 /nfs/dbraw/zinc/22/49/30/1055224930.db2.gz CCNBLEXSYACQLC-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C=CC[N@@H+](Cc1c(Br)cccc1OC)C(C)(C)C ZINC001236681918 1055227442 /nfs/dbraw/zinc/22/74/42/1055227442.db2.gz OZBOTFCBPMPUJV-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO C=CC[N@H+](Cc1c(Br)cccc1OC)C(C)(C)C ZINC001236681918 1055227457 /nfs/dbraw/zinc/22/74/57/1055227457.db2.gz OZBOTFCBPMPUJV-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)c(Br)c1 ZINC001236717372 1055239220 /nfs/dbraw/zinc/23/92/20/1055239220.db2.gz DXRGSMNIDLWVGN-UHFFFAOYSA-N 1 1 308.141 4.086 20 30 DIEDMO CCOc1cncc(C[N@H+](CCC#N)C2CCCCCCC2)c1 ZINC001236838709 1055286945 /nfs/dbraw/zinc/28/69/45/1055286945.db2.gz OMLDWFLOOSUJTL-UHFFFAOYSA-N 1 1 315.461 4.309 20 30 DIEDMO CCOc1cncc(C[N@@H+](CCC#N)C2CCCCCCC2)c1 ZINC001236838709 1055286956 /nfs/dbraw/zinc/28/69/56/1055286956.db2.gz OMLDWFLOOSUJTL-UHFFFAOYSA-N 1 1 315.461 4.309 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccccc2cc1O ZINC001236842562 1055288129 /nfs/dbraw/zinc/28/81/29/1055288129.db2.gz XQHDCSDYBOBGAZ-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236862800 1055296026 /nfs/dbraw/zinc/29/60/26/1055296026.db2.gz YUMOFVVGKFREML-CQSZACIVSA-N 1 1 307.235 4.085 20 30 DIEDMO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000764941036 1055294670 /nfs/dbraw/zinc/29/46/70/1055294670.db2.gz SLMFILIUPIEOQY-RDTXWAMCSA-N 1 1 308.429 4.064 20 30 DIEDMO CCCC[N@@H+](CCC)Cc1ccc(C#N)c(Br)c1 ZINC001236863365 1055296495 /nfs/dbraw/zinc/29/64/95/1055296495.db2.gz IZLYFKKJQBOIER-UHFFFAOYSA-N 1 1 309.251 4.333 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236867176 1055299873 /nfs/dbraw/zinc/29/98/73/1055299873.db2.gz 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Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)c2cc(C#N)ccc21 ZINC001237473818 1055458093 /nfs/dbraw/zinc/45/80/93/1055458093.db2.gz VSUUGKHGRWIFOP-UHFFFAOYSA-N 1 1 315.420 4.215 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2cn(C)c3ccc(C#N)cc23)cc1 ZINC001237473540 1055458996 /nfs/dbraw/zinc/45/89/96/1055458996.db2.gz NDIZFSKJZQLHHX-UHFFFAOYSA-N 1 1 317.436 4.244 20 30 DIEDMO Cn1cc(C[N@H+]2CCCC3(CCCC3)C2)c2cc(C#N)ccc21 ZINC001237469457 1055459653 /nfs/dbraw/zinc/45/96/53/1055459653.db2.gz VKNPTLBRXDDCBR-UHFFFAOYSA-N 1 1 307.441 4.206 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccs2)c(F)cc1F ZINC001237527662 1055467786 /nfs/dbraw/zinc/46/77/86/1055467786.db2.gz WOJZWELCKNNJPQ-HNNXBMFYSA-N 1 1 304.365 4.235 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccs2)c(F)cc1F ZINC001237527662 1055467793 /nfs/dbraw/zinc/46/77/93/1055467793.db2.gz WOJZWELCKNNJPQ-HNNXBMFYSA-N 1 1 304.365 4.235 20 30 DIEDMO CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC001620859683 1055486114 /nfs/dbraw/zinc/48/61/14/1055486114.db2.gz 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/nfs/dbraw/zinc/53/93/27/1057539327.db2.gz QILPVOMGLJHKES-UHFFFAOYSA-N 1 1 311.429 4.029 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000611128471 1057583380 /nfs/dbraw/zinc/58/33/80/1057583380.db2.gz CWXWLJLQKJWWSI-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000611128471 1057583386 /nfs/dbraw/zinc/58/33/86/1057583386.db2.gz CWXWLJLQKJWWSI-CYBMUJFWSA-N 1 1 314.458 4.035 20 30 DIEDMO C[C@H](C#N)C[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611260856 1057586822 /nfs/dbraw/zinc/58/68/22/1057586822.db2.gz JWZWPMMPQPOUIS-QGZVFWFLSA-N 1 1 317.436 4.281 20 30 DIEDMO C[C@H](C#N)C[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611260856 1057586827 /nfs/dbraw/zinc/58/68/27/1057586827.db2.gz JWZWPMMPQPOUIS-QGZVFWFLSA-N 1 1 317.436 4.281 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nccc2ccccc21 ZINC000611264967 1057587068 /nfs/dbraw/zinc/58/70/68/1057587068.db2.gz BNYPBSRJZNVHON-UHFFFAOYSA-N 1 1 313.404 4.295 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(OC)cc1 ZINC000611255658 1057587328 /nfs/dbraw/zinc/58/73/28/1057587328.db2.gz CWHMRAGHANOWNA-UHFFFAOYSA-N 1 1 300.427 4.041 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000611268908 1057587692 /nfs/dbraw/zinc/58/76/92/1057587692.db2.gz BYVSHARERFWSDD-KRWDZBQOSA-N 1 1 312.438 4.356 20 30 DIEDMO CC(C)C[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587890 /nfs/dbraw/zinc/58/78/90/1057587890.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO CC(C)C[N@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587893 /nfs/dbraw/zinc/58/78/93/1057587893.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO CC(C)C[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611257875 1057587894 /nfs/dbraw/zinc/58/78/94/1057587894.db2.gz XHHOJOHMVKICGZ-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(Cl)ccc1Cl ZINC000611378458 1057595731 /nfs/dbraw/zinc/59/57/31/1057595731.db2.gz QAEYTXZMHDFAJR-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CC(C)CC[N@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727973302 1057681723 /nfs/dbraw/zinc/68/17/23/1057681723.db2.gz XYWAUMJOTQVAFI-UHFFFAOYSA-N 1 1 324.424 4.210 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2OCC#N)nc1 ZINC001243584612 1057724517 /nfs/dbraw/zinc/72/45/17/1057724517.db2.gz RQQOXGWXOFQBSJ-INIZCTEOSA-N 1 1 321.424 4.025 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2OCC#N)nc1 ZINC001243584615 1057724808 /nfs/dbraw/zinc/72/48/08/1057724808.db2.gz RQQOXGWXOFQBSJ-MRXNPFEDSA-N 1 1 321.424 4.025 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cn1ccc(-c2ccsc2)n1 ZINC000731661951 1057751099 /nfs/dbraw/zinc/75/10/99/1057751099.db2.gz ZNFGCNZUUQALOG-UHFFFAOYSA-N 1 1 323.465 4.300 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OC)cc2C#N)nc1 ZINC001243726720 1057764190 /nfs/dbraw/zinc/76/41/90/1057764190.db2.gz LURCLQQYKONJGA-HXUWFJFHSA-N 1 1 321.424 4.176 20 30 DIEDMO N#C[C@H]1CC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)CC1 ZINC001243795376 1057781346 /nfs/dbraw/zinc/78/13/46/1057781346.db2.gz SQSBFFNRLSZSNK-XJTZBENFSA-N 1 1 318.424 4.083 20 30 DIEDMO C=CCSc1nc2ccccc2n1C[N@@H+](CC)CC1CC1 ZINC000732663546 1057782578 /nfs/dbraw/zinc/78/25/78/1057782578.db2.gz YWXYOXZJIJIOKC-UHFFFAOYSA-N 1 1 301.459 4.004 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(C3=CC[C@H](C#N)CC3)c(C)c2)CC1 ZINC001243801483 1057782845 /nfs/dbraw/zinc/78/28/45/1057782845.db2.gz ZMEGUSQHQAEPFC-INIZCTEOSA-N 1 1 307.441 4.206 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCCCC1 ZINC000732668118 1057782935 /nfs/dbraw/zinc/78/29/35/1057782935.db2.gz XMNAZJWBFBQMCB-GOSISDBHSA-N 1 1 309.400 4.067 20 30 DIEDMO C#CCOc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1 ZINC000733326098 1057813035 /nfs/dbraw/zinc/81/30/35/1057813035.db2.gz JIHASFWLWIHXAA-UHFFFAOYSA-N 1 1 320.219 4.295 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(NC(C)=O)nc2)cc1 ZINC001245516022 1058193880 /nfs/dbraw/zinc/19/38/80/1058193880.db2.gz IEKHDLRNKBEPSS-LJQANCHMSA-N 1 1 321.424 4.030 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001545434672 1058200464 /nfs/dbraw/zinc/20/04/64/1058200464.db2.gz JRTMBFRMHNREOY-FHWLQOOXSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001545471532 1058204518 /nfs/dbraw/zinc/20/45/18/1058204518.db2.gz HCVCAUPSXQRBEU-OTWHNJEPSA-N 1 1 322.537 4.364 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001528766868 1058512108 /nfs/dbraw/zinc/51/21/08/1058512108.db2.gz YDHHCSRCCQOWQU-ROUUACIJSA-N 1 1 310.526 4.314 20 30 DIEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCCC1 ZINC001556397225 1058585998 /nfs/dbraw/zinc/58/59/98/1058585998.db2.gz LIQPABPHXGLSFC-SFHVURJKSA-N 1 1 318.505 4.036 20 30 DIEDMO C=CCCCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001556898364 1058667341 /nfs/dbraw/zinc/66/73/41/1058667341.db2.gz FRCCAAMWWJYAGE-GOSISDBHSA-N 1 1 306.494 4.036 20 30 DIEDMO CCCCCCCC[NH2+][C@@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246250678 1058768474 /nfs/dbraw/zinc/76/84/74/1058768474.db2.gz XOHNWLBBLHKGQG-UXHICEINSA-N 1 1 302.506 4.300 20 30 DIEDMO CCCC[C@H]1C[C@@H](N[C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302245 1058812782 /nfs/dbraw/zinc/81/27/82/1058812782.db2.gz XGUMRXVUFVODIJ-SLFFLAALSA-N 1 1 313.489 4.156 20 30 DIEDMO CCCCCCC[C@@H](CC)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001246424202 1058922135 /nfs/dbraw/zinc/92/21/35/1058922135.db2.gz PRWUCGGFGOBXDD-LJQANCHMSA-N 1 1 317.521 4.389 20 30 DIEDMO CCCCCCC[C@@H](CC)[NH2+]C1(c2cccnc2)CCNCC1 ZINC001246424202 1058922152 /nfs/dbraw/zinc/92/21/52/1058922152.db2.gz PRWUCGGFGOBXDD-LJQANCHMSA-N 1 1 317.521 4.389 20 30 DIEDMO C=C[C@@H]([NH2+][C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485916 1058964460 /nfs/dbraw/zinc/96/44/60/1058964460.db2.gz BSUZRYPUCNPNIJ-HMXCVIKNSA-N 1 1 324.443 4.444 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246706145 1059068904 /nfs/dbraw/zinc/06/89/04/1059068904.db2.gz QKEYGLBFXUJDJL-KRWDZBQOSA-N 1 1 321.509 4.110 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246781107 1059082803 /nfs/dbraw/zinc/08/28/03/1059082803.db2.gz XJUQOHBIARQTQZ-UXHICEINSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@H+](C)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246781107 1059082824 /nfs/dbraw/zinc/08/28/24/1059082824.db2.gz XJUQOHBIARQTQZ-UXHICEINSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246781107 1059082844 /nfs/dbraw/zinc/08/28/44/1059082844.db2.gz XJUQOHBIARQTQZ-UXHICEINSA-N 1 1 302.506 4.252 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246838029 1059118864 /nfs/dbraw/zinc/11/88/64/1059118864.db2.gz ACJBVCNSQCKJSL-RTWAWAEBSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCN(Cc1ccccc1)[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246838029 1059118899 /nfs/dbraw/zinc/11/88/99/1059118899.db2.gz ACJBVCNSQCKJSL-RTWAWAEBSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCCCCCN(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001522841552 1059151845 /nfs/dbraw/zinc/15/18/45/1059151845.db2.gz JVKYLTLUKJTEGJ-KRWDZBQOSA-N 1 1 322.880 4.148 20 30 DIEDMO C=CCCCCCN(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001522841553 1059152114 /nfs/dbraw/zinc/15/21/14/1059152114.db2.gz JVKYLTLUKJTEGJ-QGZVFWFLSA-N 1 1 322.880 4.148 20 30 DIEDMO C[NH2+]CC[C@@H](C)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890687 1059153894 /nfs/dbraw/zinc/15/38/94/1059153894.db2.gz KCRUZRICXCIMGM-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO C[NH2+]CC[C@H](C)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890688 1059154089 /nfs/dbraw/zinc/15/40/89/1059154089.db2.gz KCRUZRICXCIMGM-ROUUACIJSA-N 1 1 321.468 4.119 20 30 DIEDMO C[NH2+]CC[C@@H](C)N(Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001246890397 1059155274 /nfs/dbraw/zinc/15/52/74/1059155274.db2.gz KCRUZRICXCIMGM-MSOLQXFVSA-N 1 1 321.468 4.119 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCN[C@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922060 1059177192 /nfs/dbraw/zinc/17/71/92/1059177192.db2.gz UXRAVSUBOOUNQG-AEFFLSMTSA-N 1 1 304.453 4.214 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+](CCOCC)C1CCNCC1 ZINC001246949809 1059195282 /nfs/dbraw/zinc/19/52/82/1059195282.db2.gz LTQOYGIRFWBLBP-SFHVURJKSA-N 1 1 312.542 4.216 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](CCOCC)C1CCNCC1 ZINC001246949809 1059195293 /nfs/dbraw/zinc/19/52/93/1059195293.db2.gz LTQOYGIRFWBLBP-SFHVURJKSA-N 1 1 312.542 4.216 20 30 DIEDMO COc1ccc(CCC[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cc1 ZINC001559494603 1059272696 /nfs/dbraw/zinc/27/26/96/1059272696.db2.gz JSXIXTGJOKVTIE-UHFFFAOYSA-N 1 1 322.452 4.248 20 30 DIEDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1C#N ZINC001559500673 1059282683 /nfs/dbraw/zinc/28/26/83/1059282683.db2.gz JBUXHENHARUARQ-UHFFFAOYSA-N 1 1 310.416 4.398 20 30 DIEDMO C#CC[N@H+](C[C@H](OC)C1CCCCC1)[C@H]1CCc2ccccc21 ZINC001559499209 1059284702 /nfs/dbraw/zinc/28/47/02/1059284702.db2.gz LTWFDHGXPKSIFM-SFTDATJTSA-N 1 1 311.469 4.204 20 30 DIEDMO CC(C)C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC001559506024 1059296695 /nfs/dbraw/zinc/29/66/95/1059296695.db2.gz ROVBZCHDRYOTSP-UHFFFAOYSA-N 1 1 316.445 4.460 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC(F)(F)C1 ZINC001559505918 1059298696 /nfs/dbraw/zinc/29/86/96/1059298696.db2.gz RARCFGMAXBKNQV-KRWDZBQOSA-N 1 1 306.400 4.452 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001559508036 1059299792 /nfs/dbraw/zinc/29/97/92/1059299792.db2.gz GQEUZGRFGDVWBK-UHFFFAOYSA-N 1 1 321.811 4.272 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001559508036 1059299812 /nfs/dbraw/zinc/29/98/12/1059299812.db2.gz GQEUZGRFGDVWBK-UHFFFAOYSA-N 1 1 321.811 4.272 20 30 DIEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001559512337 1059308340 /nfs/dbraw/zinc/30/83/40/1059308340.db2.gz PRBHXUOBCLFLOI-IBGZPJMESA-N 1 1 320.436 4.125 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC001531541245 1059349884 /nfs/dbraw/zinc/34/98/84/1059349884.db2.gz XVQVERBSQMZVPY-ROUUACIJSA-N 1 1 310.526 4.316 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1C[C@H](OCC)C1(C)C ZINC001559550790 1059360235 /nfs/dbraw/zinc/36/02/35/1059360235.db2.gz RKZFGFFHFKRVLQ-MOPGFXCFSA-N 1 1 314.473 4.016 20 30 DIEDMO CCC#C[C@@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556161 1059372643 /nfs/dbraw/zinc/37/26/43/1059372643.db2.gz UCEMLYXGIQKXKR-CQSZACIVSA-N 1 1 320.274 4.214 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC001559558505 1059375961 /nfs/dbraw/zinc/37/59/61/1059375961.db2.gz XRKKVDIFYMZTLF-HNNXBMFYSA-N 1 1 308.400 4.434 20 30 DIEDMO C[C@@H]([N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)C1(C)CC1 ZINC001559588493 1059422943 /nfs/dbraw/zinc/42/29/43/1059422943.db2.gz BYHFNSOLSRIJAQ-CYBMUJFWSA-N 1 1 311.347 4.057 20 30 DIEDMO COc1ccc(C[C@H]2CC[N@H+]2CCCCC2(C#N)CCC2)cc1 ZINC001559593262 1059427211 /nfs/dbraw/zinc/42/72/11/1059427211.db2.gz XBDCOZCYUBDYDY-GOSISDBHSA-N 1 1 312.457 4.176 20 30 DIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC001559596873 1059430871 /nfs/dbraw/zinc/43/08/71/1059430871.db2.gz SIKVLIKJWYUYOW-NRFANRHFSA-N 1 1 320.436 4.192 20 30 DIEDMO C#CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@H]1C ZINC001559688074 1059516178 /nfs/dbraw/zinc/51/61/78/1059516178.db2.gz GFFJTVCXCRBSJA-SJLPKXTDSA-N 1 1 315.457 4.108 20 30 DIEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC001559700129 1059529154 /nfs/dbraw/zinc/52/91/54/1059529154.db2.gz MGNLZBOTXWFJRU-QGZVFWFLSA-N 1 1 310.445 4.007 20 30 DIEDMO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)C1CCCCC1 ZINC001559717722 1059545038 /nfs/dbraw/zinc/54/50/38/1059545038.db2.gz WJFHPEUITKMJSE-JXFKEZNVSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccccc1OCc1ccccc1 ZINC001559716481 1059545681 /nfs/dbraw/zinc/54/56/81/1059545681.db2.gz MIELBUIQAWIAHM-INIZCTEOSA-N 1 1 306.409 4.220 20 30 DIEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C3CCC(CC)CC3)cc2)no1 ZINC001247608897 1059570140 /nfs/dbraw/zinc/57/01/40/1059570140.db2.gz AKVBCWYIDUBPDZ-JMLCCBQJSA-N 1 1 323.440 4.444 20 30 DIEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(CCCCCCC)cc2)no1 ZINC001247610070 1059571635 /nfs/dbraw/zinc/57/16/35/1059571635.db2.gz TXKUQJSHZZKRKQ-QGZVFWFLSA-N 1 1 311.429 4.273 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001247622038 1059574674 /nfs/dbraw/zinc/57/46/74/1059574674.db2.gz CZEMPXKCKCSGBP-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001247622538 1059574906 /nfs/dbraw/zinc/57/49/06/1059574906.db2.gz MYZUBYORDFDPIV-JTQLQIEISA-N 1 1 316.163 4.149 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001247622039 1059575741 /nfs/dbraw/zinc/57/57/41/1059575741.db2.gz CZEMPXKCKCSGBP-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC1 ZINC001559743805 1059579247 /nfs/dbraw/zinc/57/92/47/1059579247.db2.gz UXJXJDYEEMEXMH-CQSZACIVSA-N 1 1 308.347 4.189 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2OC)no1 ZINC001247638819 1059582140 /nfs/dbraw/zinc/58/21/40/1059582140.db2.gz DMQAOZLOHDYWKW-AWEZNQCLSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ncccc2C2CC2)no1 ZINC001247638535 1059583008 /nfs/dbraw/zinc/58/30/08/1059583008.db2.gz AQOWBVFBHMTYMR-HNNXBMFYSA-N 1 1 312.417 4.145 20 30 DIEDMO Cc1cc(C)c2c(c1)C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC001559763010 1059601262 /nfs/dbraw/zinc/60/12/62/1059601262.db2.gz ZULGWNAONCYAOR-UHFFFAOYSA-N 1 1 309.840 4.367 20 30 DIEDMO C[N@@H+]1CCCC[C@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247750895 1059613334 /nfs/dbraw/zinc/61/33/34/1059613334.db2.gz HISWWZABPQEIJN-INIZCTEOSA-N 1 1 324.428 4.063 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247750895 1059613341 /nfs/dbraw/zinc/61/33/41/1059613341.db2.gz HISWWZABPQEIJN-INIZCTEOSA-N 1 1 324.428 4.063 20 30 DIEDMO CCCCCCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC001559781707 1059616646 /nfs/dbraw/zinc/61/66/46/1059616646.db2.gz OPRQTMDKWCXELR-QGZVFWFLSA-N 1 1 304.478 4.108 20 30 DIEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001559786419 1059621889 /nfs/dbraw/zinc/62/18/89/1059621889.db2.gz CLYPQICBXBBNIN-IBGZPJMESA-N 1 1 312.363 4.077 20 30 DIEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001559786419 1059621898 /nfs/dbraw/zinc/62/18/98/1059621898.db2.gz CLYPQICBXBBNIN-IBGZPJMESA-N 1 1 312.363 4.077 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(C)cc2C)CCCC1(C)C ZINC001559797070 1059631292 /nfs/dbraw/zinc/63/12/92/1059631292.db2.gz FSXWKEJQEIKJDQ-GOSISDBHSA-N 1 1 314.473 4.309 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CCN(C)Cc2ccccc2)CCCC1(C)C ZINC001559797363 1059631407 /nfs/dbraw/zinc/63/14/07/1059631407.db2.gz OFQVEXICCMTDQP-IBGZPJMESA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(C2CCCC2)cc1 ZINC001559797351 1059631516 /nfs/dbraw/zinc/63/15/16/1059631516.db2.gz NVZBJODQCDWIJW-UHFFFAOYSA-N 1 1 300.490 4.284 20 30 DIEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C2CCCC2)cc1 ZINC001559797351 1059631523 /nfs/dbraw/zinc/63/15/23/1059631523.db2.gz NVZBJODQCDWIJW-UHFFFAOYSA-N 1 1 300.490 4.284 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(C2CCCC2)cc1 ZINC001559797351 1059631530 /nfs/dbraw/zinc/63/15/30/1059631530.db2.gz NVZBJODQCDWIJW-UHFFFAOYSA-N 1 1 300.490 4.284 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cccc(Br)n2)CCCC1(C)C ZINC001559797077 1059632112 /nfs/dbraw/zinc/63/21/12/1059632112.db2.gz GBDGYABIELPHAI-CQSZACIVSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797258 1059632412 /nfs/dbraw/zinc/63/24/12/1059632412.db2.gz LNJLSVTZRWJGNB-QZTJIDSGSA-N 1 1 305.437 4.234 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(C2CCCCC2)cs1 ZINC001559796538 1059633674 /nfs/dbraw/zinc/63/36/74/1059633674.db2.gz NLZAPWNJGNLPMG-UHFFFAOYSA-N 1 1 321.534 4.131 20 30 DIEDMO C#CCOCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C(CC)CC ZINC001559802971 1059638944 /nfs/dbraw/zinc/63/89/44/1059638944.db2.gz RBNFKYOPAWUWCT-GOSISDBHSA-N 1 1 307.865 4.399 20 30 DIEDMO CCCC1CCC([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001559807395 1059644521 /nfs/dbraw/zinc/64/45/21/1059644521.db2.gz BUZXUOXFGWQFKN-UHFFFAOYSA-N 1 1 315.417 4.257 20 30 DIEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC001559815415 1059653041 /nfs/dbraw/zinc/65/30/41/1059653041.db2.gz DYJFYJHRKRKLFT-QGZVFWFLSA-N 1 1 312.498 4.336 20 30 DIEDMO Clc1ccc(C#CC[N@H+]2CCC=C(c3ccccc3)C2)cc1 ZINC001559825781 1059658774 /nfs/dbraw/zinc/65/87/74/1059658774.db2.gz SVIXFCRVIQOHAJ-UHFFFAOYSA-N 1 1 307.824 4.481 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)C1CCCCC1 ZINC001559831198 1059663932 /nfs/dbraw/zinc/66/39/32/1059663932.db2.gz NQHSCDBIEZIVTO-INIZCTEOSA-N 1 1 305.462 4.366 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC[C@@H](C)C1 ZINC001559870595 1059689769 /nfs/dbraw/zinc/68/97/69/1059689769.db2.gz BOSJXBUOJIEMPD-FGTMMUONSA-N 1 1 306.494 4.112 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001559868401 1059690398 /nfs/dbraw/zinc/69/03/98/1059690398.db2.gz QLTCIQBDIANPGY-GUXCAODWSA-N 1 1 320.436 4.333 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001559911571 1059727595 /nfs/dbraw/zinc/72/75/95/1059727595.db2.gz MOOSGWYLLNUEMA-WOJBJXKFSA-N 1 1 305.425 4.111 20 30 DIEDMO C=CCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001559962494 1059770278 /nfs/dbraw/zinc/77/02/78/1059770278.db2.gz QLEYVEVWEYBSIF-GBESFXJTSA-N 1 1 300.490 4.326 20 30 DIEDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCCSCC#N ZINC001559964357 1059771981 /nfs/dbraw/zinc/77/19/81/1059771981.db2.gz SGXUUWVTRBSWCB-QGZVFWFLSA-N 1 1 322.905 4.384 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C(C)(C)C ZINC001560005597 1059812486 /nfs/dbraw/zinc/81/24/86/1059812486.db2.gz LHWSYIOJVSITNY-UHFFFAOYSA-N 1 1 312.816 4.094 20 30 DIEDMO CCCOc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001560043116 1059858826 /nfs/dbraw/zinc/85/88/26/1059858826.db2.gz NSSWGUPPINLBLT-UHFFFAOYSA-N 1 1 320.436 4.100 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001560053075 1059867554 /nfs/dbraw/zinc/86/75/54/1059867554.db2.gz AWUYWMHLANOYGU-JKSUJKDBSA-N 1 1 312.498 4.334 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCC[C@@H]1C#N ZINC001560060578 1059875495 /nfs/dbraw/zinc/87/54/95/1059875495.db2.gz QMECYVOYXBIOSP-APWZRJJASA-N 1 1 314.473 4.377 20 30 DIEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(Cl)cc(Cl)c1F ZINC001560128816 1059931099 /nfs/dbraw/zinc/93/10/99/1059931099.db2.gz RIXSHBAMEWSDPG-VIFPVBQESA-N 1 1 324.186 4.250 20 30 DIEDMO CCCCCCC[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001560133644 1059936085 /nfs/dbraw/zinc/93/60/85/1059936085.db2.gz FUMPCHNPEAYYTO-INIZCTEOSA-N 1 1 312.498 4.288 20 30 DIEDMO C#CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC001560155994 1059953063 /nfs/dbraw/zinc/95/30/63/1059953063.db2.gz ACXKCHOOQFWOOH-UHFFFAOYSA-N 1 1 302.805 4.229 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](CC)Cc1ccc(OC)cc1 ZINC001248752559 1059963460 /nfs/dbraw/zinc/96/34/60/1059963460.db2.gz QKHFLTNMSQJLBB-UHFFFAOYSA-N 1 1 308.425 4.151 20 30 DIEDMO C=C(C)CC[N@@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001560172279 1059965249 /nfs/dbraw/zinc/96/52/49/1059965249.db2.gz SBNHWQZFKSATTF-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=C(C)CC[N@H+]1CCc2cc(Cl)cc(Br)c2C1 ZINC001560172279 1059965265 /nfs/dbraw/zinc/96/52/65/1059965265.db2.gz SBNHWQZFKSATTF-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC001560186115 1059973555 /nfs/dbraw/zinc/97/35/55/1059973555.db2.gz ITXFIILRCILUOW-ZDUSSCGKSA-N 1 1 315.383 4.255 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccc(OCc2ccncc2)cc1 ZINC001560204190 1059983215 /nfs/dbraw/zinc/98/32/15/1059983215.db2.gz AXDXEPSBTBAJMD-UHFFFAOYSA-N 1 1 310.441 4.449 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)cc1F ZINC001560217600 1059993286 /nfs/dbraw/zinc/99/32/86/1059993286.db2.gz ZJGIUAYTCYDWDX-GOSISDBHSA-N 1 1 324.399 4.000 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cnn2ccc(Cl)nc12 ZINC001248876574 1060031641 /nfs/dbraw/zinc/03/16/41/1060031641.db2.gz YHERZPBMNOWIFU-UHFFFAOYSA-N 1 1 308.857 4.175 20 30 DIEDMO C=CC[NH+](CC=C)[C@H](CNCc1nccc2ccccc21)C(C)C ZINC001560261687 1060032213 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/nfs/dbraw/zinc/40/23/64/1061402364.db2.gz VCJWHUKXFBTWQU-YJBOKZPZSA-N 1 1 322.456 4.345 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC001473773444 1061402370 /nfs/dbraw/zinc/40/23/70/1061402370.db2.gz VCJWHUKXFBTWQU-YJBOKZPZSA-N 1 1 322.456 4.345 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473797977 1061411397 /nfs/dbraw/zinc/41/13/97/1061411397.db2.gz STXJYUFHFAYLLB-LPHOPBHVSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCCCCCCCCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001251609456 1061417206 /nfs/dbraw/zinc/41/72/06/1061417206.db2.gz UGHPPTXSMHOSEA-ROUUACIJSA-N 1 1 323.525 4.027 20 30 DIEDMO C=CCCC[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001473845124 1061431023 /nfs/dbraw/zinc/43/10/23/1061431023.db2.gz TVLRANLYWFIHQM-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=CCCC[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001473845124 1061431037 /nfs/dbraw/zinc/43/10/37/1061431037.db2.gz TVLRANLYWFIHQM-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=CCCC[N@H+](CC)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001473862254 1061437846 /nfs/dbraw/zinc/43/78/46/1061437846.db2.gz YGDNLFGVKKHYPT-UHFFFAOYSA-N 1 1 324.509 4.312 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001473865330 1061439213 /nfs/dbraw/zinc/43/92/13/1061439213.db2.gz PJRSFSWWWQBYCI-OAHLLOKOSA-N 1 1 302.805 4.454 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC001473865330 1061439223 /nfs/dbraw/zinc/43/92/23/1061439223.db2.gz PJRSFSWWWQBYCI-OAHLLOKOSA-N 1 1 302.805 4.454 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC001473881213 1061447461 /nfs/dbraw/zinc/44/74/61/1061447461.db2.gz OLHIRGSJTZREHK-FQEVSTJZSA-N 1 1 304.437 4.164 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(F)cc1Cl)C(C)C ZINC001473927384 1061475426 /nfs/dbraw/zinc/47/54/26/1061475426.db2.gz KKYIFWAGGFTREO-SFHVURJKSA-N 1 1 324.871 4.267 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001252128912 1061585111 /nfs/dbraw/zinc/58/51/11/1061585111.db2.gz RXJFEJGNOGIKKW-HKUYNNGSSA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001252128625 1061585564 /nfs/dbraw/zinc/58/55/64/1061585564.db2.gz PMSPYQSHUOFFHK-MOPGFXCFSA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001252130480 1061586364 /nfs/dbraw/zinc/58/63/64/1061586364.db2.gz RKNBPAKBVXFKJE-MOPGFXCFSA-N 1 1 318.505 4.373 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001252128913 1061587253 /nfs/dbraw/zinc/58/72/53/1061587253.db2.gz RXJFEJGNOGIKKW-IEBWSBKVSA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001252126552 1061587437 /nfs/dbraw/zinc/58/74/37/1061587437.db2.gz QLCOLVCEZSKHOX-PMPSAXMXSA-N 1 1 303.437 4.075 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2nc[nH]c2[C@H]1C(C)C ZINC001252132176 1061591716 /nfs/dbraw/zinc/59/17/16/1061591716.db2.gz BCHJZVFNQGVASA-QFBILLFUSA-N 1 1 321.509 4.076 20 30 DIEDMO CCCCCCCC[C@H](O)C[NH2+][C@H](C(C)=O)c1ccccc1 ZINC001252135356 1061595423 /nfs/dbraw/zinc/59/54/23/1061595423.db2.gz CNFNJGAAFCBCIO-RBUKOAKNSA-N 1 1 305.462 4.018 20 30 DIEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H](C(C)=O)c1ccccc1 ZINC001252135352 1061595566 /nfs/dbraw/zinc/59/55/66/1061595566.db2.gz CNFNJGAAFCBCIO-OALUTQOASA-N 1 1 305.462 4.018 20 30 DIEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001252560957 1061664482 /nfs/dbraw/zinc/66/44/82/1061664482.db2.gz WMBCBEFCEOXBLI-IRLDBZIGSA-N 1 1 321.464 4.220 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001252602385 1061673836 /nfs/dbraw/zinc/67/38/36/1061673836.db2.gz RRWSFFOASDPYMZ-HZPDHXFCSA-N 1 1 313.363 4.169 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001252980856 1061774177 /nfs/dbraw/zinc/77/41/77/1061774177.db2.gz ZUDLINOTBKWMDZ-HXUWFJFHSA-N 1 1 324.553 4.048 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001253227490 1061833698 /nfs/dbraw/zinc/83/36/98/1061833698.db2.gz JOOOSVAXQCFJMA-RTBURBONSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001253238335 1061837485 /nfs/dbraw/zinc/83/74/85/1061837485.db2.gz CZRHGFAWRCYZNV-CABCVRRESA-N 1 1 307.400 4.148 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cccc(OC)c1 ZINC001253239099 1061838144 /nfs/dbraw/zinc/83/81/44/1061838144.db2.gz KDAGZKAKVIGTFC-GOSISDBHSA-N 1 1 305.462 4.015 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001253240535 1061838511 /nfs/dbraw/zinc/83/85/11/1061838511.db2.gz NGPQBPBMBIOVHU-JKSUJKDBSA-N 1 1 308.491 4.168 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001253239882 1061838946 /nfs/dbraw/zinc/83/89/46/1061838946.db2.gz VBCJDORXQIAEEP-UXHICEINSA-N 1 1 316.489 4.496 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253359910 1061878844 /nfs/dbraw/zinc/87/88/44/1061878844.db2.gz VWAYJAHBOGNYHK-IBGZPJMESA-N 1 1 317.379 4.077 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](Cc3ccc(C)cc3)C2)cc1 ZINC001474310948 1061881650 /nfs/dbraw/zinc/88/16/50/1061881650.db2.gz RJZDFNLUBOUAND-JOCHJYFZSA-N 1 1 303.449 4.431 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](CC)C2)cc1OC ZINC001474331786 1061923029 /nfs/dbraw/zinc/92/30/29/1061923029.db2.gz WEFFVKIZJZQTAI-CYBMUJFWSA-N 1 1 309.837 4.145 20 30 DIEDMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C(F)(F)F)ccc1Cl ZINC001253588610 1061935134 /nfs/dbraw/zinc/93/51/34/1061935134.db2.gz YJGFOUMLPDQFIW-SMDDNHRTSA-N 1 1 319.754 4.043 20 30 DIEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(C(F)(F)F)ccc1Cl ZINC001253588610 1061935158 /nfs/dbraw/zinc/93/51/58/1061935158.db2.gz YJGFOUMLPDQFIW-SMDDNHRTSA-N 1 1 319.754 4.043 20 30 DIEDMO CC[C@@H]1CCCC[C@H]1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001474356994 1061975184 /nfs/dbraw/zinc/97/51/84/1061975184.db2.gz CMIUCWHBWGSHFB-HOJAQTOUSA-N 1 1 312.457 4.148 20 30 DIEDMO Cc1cc(C)c(COc2nc(C(C)(C)C)ccc2C#N)c(C)[nH+]1 ZINC001459141421 1062022362 /nfs/dbraw/zinc/02/23/62/1062022362.db2.gz ZMQCHZCKOWOTAP-UHFFFAOYSA-N 1 1 309.413 4.150 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(Cl)c(F)c1 ZINC001254144489 1062033633 /nfs/dbraw/zinc/03/36/33/1062033633.db2.gz DKJDMJKDFTUZOJ-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C#CC[N@H+](Cc1ccc(CC(C)C)nc1)[C@H]1CCc2ccccc21 ZINC001474387444 1062037655 /nfs/dbraw/zinc/03/76/55/1062037655.db2.gz OMHSPGZCTAYHCZ-QFIPXVFZSA-N 1 1 318.464 4.403 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001474389386 1062041117 /nfs/dbraw/zinc/04/11/17/1062041117.db2.gz OEJRCMJDSAKNCI-CQSZACIVSA-N 1 1 305.849 4.220 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1c(O)ccc(Cl)c1F ZINC001474390182 1062041385 /nfs/dbraw/zinc/04/13/85/1062041385.db2.gz FPFYMHJACGXMMJ-UHFFFAOYSA-N 1 1 309.768 4.008 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1c(O)ccc(Cl)c1F ZINC001474390182 1062041404 /nfs/dbraw/zinc/04/14/04/1062041404.db2.gz FPFYMHJACGXMMJ-UHFFFAOYSA-N 1 1 309.768 4.008 20 30 DIEDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](C)CCC#N ZINC001474393195 1062047072 /nfs/dbraw/zinc/04/70/72/1062047072.db2.gz LCCAOIHIQITOAZ-GOSISDBHSA-N 1 1 324.472 4.082 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(C#N)c(F)c1 ZINC001254216001 1062052668 /nfs/dbraw/zinc/05/26/68/1062052668.db2.gz OKKZLVKCOWRRHP-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C=CC[N@@H+]([C@@H]1Cc2ccc(Br)cc2C1)C(C)(C)C ZINC001254286917 1062068330 /nfs/dbraw/zinc/06/83/30/1062068330.db2.gz VRRWHVBYVXDTPV-OAHLLOKOSA-N 1 1 308.263 4.203 20 30 DIEDMO C[C@]1(F)CCC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353281 1062083604 /nfs/dbraw/zinc/08/36/04/1062083604.db2.gz YOUOXXCTAVVHON-XBMUEBEBSA-N 1 1 318.411 4.354 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001254353253 1062083702 /nfs/dbraw/zinc/08/37/02/1062083702.db2.gz XZHZJTWPQSSAAR-IPJUCJBFSA-N 1 1 318.411 4.354 20 30 DIEDMO CCCC[N@H+](CC#N)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358652 1062084028 /nfs/dbraw/zinc/08/40/28/1062084028.db2.gz HTSJZRNBINAJIJ-UHFFFAOYSA-N 1 1 313.420 4.155 20 30 DIEDMO CCCC[N@@H+](CC#N)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254358652 1062084048 /nfs/dbraw/zinc/08/40/48/1062084048.db2.gz HTSJZRNBINAJIJ-UHFFFAOYSA-N 1 1 313.420 4.155 20 30 DIEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](c2ccccc2)O1 ZINC001459349342 1062104159 /nfs/dbraw/zinc/10/41/59/1062104159.db2.gz KPEXXQSNZUNKGK-HKUYNNGSSA-N 1 1 312.457 4.313 20 30 DIEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](c2ccccc2)O1 ZINC001459349342 1062104173 /nfs/dbraw/zinc/10/41/73/1062104173.db2.gz KPEXXQSNZUNKGK-HKUYNNGSSA-N 1 1 312.457 4.313 20 30 DIEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](C3CCC4(CC4)CC3)C2)cc1 ZINC001254448630 1062108100 /nfs/dbraw/zinc/10/81/00/1062108100.db2.gz DAHDHQIBYHTCAW-IBGZPJMESA-N 1 1 310.441 4.124 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1Br)[C@@H](C)CCC#N ZINC001459383836 1062119274 /nfs/dbraw/zinc/11/92/74/1062119274.db2.gz VGPVTVGHWDEJDC-ZDUSSCGKSA-N 1 1 309.251 4.353 20 30 DIEDMO C=CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)CCc1ccccc1 ZINC001459392602 1062123144 /nfs/dbraw/zinc/12/31/44/1062123144.db2.gz OHVHIOBEMWXRTD-UYAOXDASSA-N 1 1 301.474 4.312 20 30 DIEDMO C=CC[N@@H+](CCO[C@H]1CCCC[C@H]1C)CCc1ccccc1 ZINC001459392599 1062124019 /nfs/dbraw/zinc/12/40/19/1062124019.db2.gz OHVHIOBEMWXRTD-QUCCMNQESA-N 1 1 301.474 4.312 20 30 DIEDMO C#CC[N@H+](CCc1nsc2ccccc21)Cc1ccc(F)cc1 ZINC001459409829 1062130791 /nfs/dbraw/zinc/13/07/91/1062130791.db2.gz YYYHPKIDNHNHNE-UHFFFAOYSA-N 1 1 324.424 4.113 20 30 DIEDMO CC[N@H+]1CCC[C@@H](Nc2ccc(Oc3ccccc3)c(C#N)c2)C1 ZINC001474463893 1062143034 /nfs/dbraw/zinc/14/30/34/1062143034.db2.gz BSOVZPZOYSWNKY-GOSISDBHSA-N 1 1 321.424 4.247 20 30 DIEDMO CCCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H](C)c1ccc(C)o1 ZINC001459443483 1062144469 /nfs/dbraw/zinc/14/44/69/1062144469.db2.gz JEBPLIQIEVKVNF-SJORKVTESA-N 1 1 318.461 4.196 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001459505143 1062172423 /nfs/dbraw/zinc/17/24/23/1062172423.db2.gz FNSYNQYBOQMDAI-SFHVURJKSA-N 1 1 322.427 4.379 20 30 DIEDMO C=CC[C@H]([NH2+]CC1CCC2(CCCCC2)CC1)C(=O)OCC ZINC001474496717 1062176896 /nfs/dbraw/zinc/17/68/96/1062176896.db2.gz WAKYCVPLOAHQRJ-KRWDZBQOSA-N 1 1 307.478 4.225 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001474509077 1062191678 /nfs/dbraw/zinc/19/16/78/1062191678.db2.gz KHEKLWXORJEJOX-YFVAEKQCSA-N 1 1 320.411 4.465 20 30 DIEDMO C=CCCCCC[N@H+](C)CCc1cccc2c1OC(F)(F)O2 ZINC001459539277 1062192786 /nfs/dbraw/zinc/19/27/86/1062192786.db2.gz LDYJJGIFNXIKKO-UHFFFAOYSA-N 1 1 311.372 4.229 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568347 1062216814 /nfs/dbraw/zinc/21/68/14/1062216814.db2.gz AHQLLBKKSJTNHR-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)C1 ZINC001254667966 1062221901 /nfs/dbraw/zinc/22/19/01/1062221901.db2.gz FUYHFZPESZUYAP-PBEJRMEISA-N 1 1 302.421 4.326 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670561 1062222915 /nfs/dbraw/zinc/22/29/15/1062222915.db2.gz JOYLLQYBHIFUNT-FRRDWIJNSA-N 1 1 309.240 4.475 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](OCc3ccc(Cl)cc3)C2)C1 ZINC001254667426 1062223150 /nfs/dbraw/zinc/22/31/50/1062223150.db2.gz BZRQTZVLGVGQKM-BPQIPLTHSA-N 1 1 318.848 4.013 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670558 1062223383 /nfs/dbraw/zinc/22/33/83/1062223383.db2.gz JOYLLQYBHIFUNT-AGIUHOORSA-N 1 1 309.240 4.475 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(Cl)c3Cl)C2)C1 ZINC001254670563 1062224060 /nfs/dbraw/zinc/22/40/60/1062224060.db2.gz JOYLLQYBHIFUNT-JHJVBQTASA-N 1 1 309.240 4.475 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC[C@H]2c2cccc(Cl)c2)C1 ZINC001254671128 1062225185 /nfs/dbraw/zinc/22/51/85/1062225185.db2.gz PECOPOBWSKLZTP-KCXAZCMYSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@H]2c2cccc(Cl)c2)C1 ZINC001254671128 1062225202 /nfs/dbraw/zinc/22/52/02/1062225202.db2.gz PECOPOBWSKLZTP-KCXAZCMYSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC[C@@H]2c2cccc(Cl)c2)C1 ZINC001254671129 1062225249 /nfs/dbraw/zinc/22/52/49/1062225249.db2.gz PECOPOBWSKLZTP-UHOFOFEASA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCSC[C@@H]2c2cccc(Cl)c2)C1 ZINC001254671129 1062225268 /nfs/dbraw/zinc/22/52/68/1062225268.db2.gz PECOPOBWSKLZTP-UHOFOFEASA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673921 1062225606 /nfs/dbraw/zinc/22/56/06/1062225606.db2.gz REGUZJRTGBLZQL-CVGURMSBSA-N 1 1 321.251 4.259 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670808 1062226264 /nfs/dbraw/zinc/22/62/64/1062226264.db2.gz MOJBTLMCTMUCJS-RTWAWAEBSA-N 1 1 304.437 4.424 20 30 DIEDMO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254674379 1062228032 /nfs/dbraw/zinc/22/80/32/1062228032.db2.gz YEPYRHITURATQU-CZAAIQMYSA-N 1 1 322.452 4.276 20 30 DIEDMO N#C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCSCC2)C1 ZINC001254676917 1062229507 /nfs/dbraw/zinc/22/95/07/1062229507.db2.gz OOMYGUNKROXYIV-WMZOPIPTSA-N 1 1 300.471 4.076 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1)C(C)(C)C ZINC001254787391 1062252008 /nfs/dbraw/zinc/25/20/08/1062252008.db2.gz WUPJQLCOWQAFSQ-OAHLLOKOSA-N 1 1 322.493 4.063 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC001459643037 1062270230 /nfs/dbraw/zinc/27/02/30/1062270230.db2.gz IMCXWLZUZIGPKN-BEFAXECRSA-N 1 1 308.425 4.475 20 30 DIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001459644789 1062277001 /nfs/dbraw/zinc/27/70/01/1062277001.db2.gz CZMZEELRBYPCRF-NRFANRHFSA-N 1 1 307.412 4.433 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474592031 1062305225 /nfs/dbraw/zinc/30/52/25/1062305225.db2.gz TXMCSTGHTDYHAD-DBWMJRBXSA-N 1 1 319.452 4.330 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC001474592033 1062306087 /nfs/dbraw/zinc/30/60/87/1062306087.db2.gz TXMCSTGHTDYHAD-JKNJVXJCSA-N 1 1 319.452 4.330 20 30 DIEDMO C=CC[C@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 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1063102540 /nfs/dbraw/zinc/10/25/40/1063102540.db2.gz VUWJRJIFBXYTIU-UHFFFAOYSA-N 1 1 319.326 4.315 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC001460853782 1063102553 /nfs/dbraw/zinc/10/25/53/1063102553.db2.gz VUWJRJIFBXYTIU-UHFFFAOYSA-N 1 1 319.326 4.315 20 30 DIEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC001460864973 1063106021 /nfs/dbraw/zinc/10/60/21/1063106021.db2.gz HIVMCSGXEIPZAI-HXUWFJFHSA-N 1 1 304.437 4.369 20 30 DIEDMO C=CC[C@@H](C)[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001460862405 1063106191 /nfs/dbraw/zinc/10/61/91/1063106191.db2.gz VAUOQRJOUAVUEC-SNVBAGLBSA-N 1 1 314.654 4.425 20 30 DIEDMO C=CC[C@@H](C)[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001460862405 1063106196 /nfs/dbraw/zinc/10/61/96/1063106196.db2.gz VAUOQRJOUAVUEC-SNVBAGLBSA-N 1 1 314.654 4.425 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC001472726537 1063187655 /nfs/dbraw/zinc/18/76/55/1063187655.db2.gz GKLJKTUQWGXJPS-RDJZCZTQSA-N 1 1 323.415 4.081 20 30 DIEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C(CCC)CCC)C2 ZINC001257336537 1063218351 /nfs/dbraw/zinc/21/83/51/1063218351.db2.gz BKZGLZQOICJVCI-OALUTQOASA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C(CCC)CCC)C2 ZINC001257336540 1063218813 /nfs/dbraw/zinc/21/88/13/1063218813.db2.gz BKZGLZQOICJVCI-RBUKOAKNSA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1Cl ZINC001461203748 1063328671 /nfs/dbraw/zinc/32/86/71/1063328671.db2.gz IFHLBXCCVWAWAM-UHFFFAOYSA-N 1 1 317.816 4.203 20 30 DIEDMO CCCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(Br)cc1 ZINC001257564415 1063338597 /nfs/dbraw/zinc/33/85/97/1063338597.db2.gz LIHKMUCOYXZOIK-AWEZNQCLSA-N 1 1 323.278 4.396 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccncc1 ZINC001461221105 1063344318 /nfs/dbraw/zinc/34/43/18/1063344318.db2.gz VUAODXBUTMGJJJ-GOSISDBHSA-N 1 1 305.381 4.144 20 30 DIEDMO C=CCCCC[N@H+](C)C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257592337 1063348277 /nfs/dbraw/zinc/34/82/77/1063348277.db2.gz JXSXSYWNAPUNNV-HOTGVXAUSA-N 1 1 324.509 4.451 20 30 DIEDMO CCCCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001461231744 1063352145 /nfs/dbraw/zinc/35/21/45/1063352145.db2.gz MILPYXINNFJRBK-MSOLQXFVSA-N 1 1 308.510 4.260 20 30 DIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC001473120595 1063422172 /nfs/dbraw/zinc/42/21/72/1063422172.db2.gz MJTKWWCDFXOHHE-HNNXBMFYSA-N 1 1 323.396 4.276 20 30 DIEDMO C=CC[N@H+](CCCN(C)c1ccccc1)Cc1ccccc1F ZINC001473118272 1063423088 /nfs/dbraw/zinc/42/30/88/1063423088.db2.gz ASYGCNJYBJDHNY-UHFFFAOYSA-N 1 1 312.432 4.340 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@](CF)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257890882 1063428482 /nfs/dbraw/zinc/42/84/82/1063428482.db2.gz BSAIVDNTKNZQIZ-IXXDHKBRSA-N 1 1 305.359 4.345 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](CC(=O)OC(C)(C)C)C3)C[C@H](C1)C2 ZINC001257895208 1063432222 /nfs/dbraw/zinc/43/22/22/1063432222.db2.gz LJYSWIWCVGKANX-XNHLSEOASA-N 1 1 319.489 4.175 20 30 DIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3ccccc3)CC2)cc1 ZINC001473143390 1063449664 /nfs/dbraw/zinc/44/96/64/1063449664.db2.gz DRSJDNXNEPGYNC-FQEVSTJZSA-N 1 1 307.412 4.447 20 30 DIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001473158508 1063462718 /nfs/dbraw/zinc/46/27/18/1063462718.db2.gz MFVUPYKPFJSCDU-QGZVFWFLSA-N 1 1 302.487 4.283 20 30 DIEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001473158223 1063463241 /nfs/dbraw/zinc/46/32/41/1063463241.db2.gz HWUMCPGJIUZMJP-HNNXBMFYSA-N 1 1 308.878 4.319 20 30 DIEDMO C=CC[N@H+](CCC(C)(C)CC(=O)OCC)CC1CCCCC1 ZINC001473163770 1063467582 /nfs/dbraw/zinc/46/75/82/1063467582.db2.gz PWTKOGNDDNRKMT-UHFFFAOYSA-N 1 1 309.494 4.424 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)CC1CCCCC1 ZINC001473164596 1063469645 /nfs/dbraw/zinc/46/96/45/1063469645.db2.gz XXYAGKZOTONVPG-YLJYHZDGSA-N 1 1 301.474 4.219 20 30 DIEDMO CCCCCCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001258041169 1063471987 /nfs/dbraw/zinc/47/19/87/1063471987.db2.gz OCTPSIDMSLSJBS-CVEARBPZSA-N 1 1 317.539 4.398 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001258043447 1063478340 /nfs/dbraw/zinc/47/83/40/1063478340.db2.gz CIKMWLRBDNAZBJ-AEFFLSMTSA-N 1 1 321.509 4.198 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001258045339 1063478968 /nfs/dbraw/zinc/47/89/68/1063478968.db2.gz ZJSKDYHORJBHGY-FUHWJXTLSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258048242 1063480888 /nfs/dbraw/zinc/48/08/88/1063480888.db2.gz RVCYWYFITSURMV-ICSRJNTNSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001258048482 1063480922 /nfs/dbraw/zinc/48/09/22/1063480922.db2.gz VALWQDQBUZJQTM-QGZVFWFLSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001258048945 1063480937 /nfs/dbraw/zinc/48/09/37/1063480937.db2.gz ZOYPCHBEKUFDKL-FHWLQOOXSA-N 1 1 322.537 4.314 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001258048247 1063481924 /nfs/dbraw/zinc/48/19/24/1063481924.db2.gz RWCKRVKEYSZVRO-HKUYNNGSSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049317 1063482842 /nfs/dbraw/zinc/48/28/42/1063482842.db2.gz FCVLJTZYBMZILD-AZUAARDMSA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001258049317 1063482858 /nfs/dbraw/zinc/48/28/58/1063482858.db2.gz FCVLJTZYBMZILD-AZUAARDMSA-N 1 1 324.553 4.311 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC001473178271 1063486125 /nfs/dbraw/zinc/48/61/25/1063486125.db2.gz AMBLNDXLPIURSR-UHFFFAOYSA-N 1 1 305.853 4.405 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001258232567 1063572796 /nfs/dbraw/zinc/57/27/96/1063572796.db2.gz VJPSKKKPOSIRMQ-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCn2c(CC)nnc2C1 ZINC001258232567 1063572813 /nfs/dbraw/zinc/57/28/13/1063572813.db2.gz VJPSKKKPOSIRMQ-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)s1 ZINC001461590433 1063600325 /nfs/dbraw/zinc/60/03/25/1063600325.db2.gz WFZILNRUNWZUTO-UHFFFAOYSA-N 1 1 310.378 4.295 20 30 DIEDMO COc1ccc(CC[C@H](C)[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001258396667 1063638039 /nfs/dbraw/zinc/63/80/39/1063638039.db2.gz AYWAENOTOQLVHY-SFHVURJKSA-N 1 1 322.452 4.432 20 30 DIEDMO COc1ccc(CC[C@@H](C)[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001258396665 1063638298 /nfs/dbraw/zinc/63/82/98/1063638298.db2.gz AYWAENOTOQLVHY-GOSISDBHSA-N 1 1 322.452 4.432 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](CC)CCCCC)C2 ZINC001258441969 1063657090 /nfs/dbraw/zinc/65/70/90/1063657090.db2.gz VDJMAERFVOWAFV-FHWLQOOXSA-N 1 1 309.494 4.171 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2ncc(-c3ccccc3)s2)cc1C#N ZINC001461749955 1063693306 /nfs/dbraw/zinc/69/33/06/1063693306.db2.gz NQFKCBOUIRWCEP-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001461884200 1063775603 /nfs/dbraw/zinc/77/56/03/1063775603.db2.gz ROWCKNRUNHWFQZ-YADHBBJMSA-N 1 1 316.448 4.447 20 30 DIEDMO CNc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001461884280 1063776617 /nfs/dbraw/zinc/77/66/17/1063776617.db2.gz SCIFNSQKVZCTKM-AZUAARDMSA-N 1 1 305.425 4.000 20 30 DIEDMO C=CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C(C)C ZINC001461888424 1063778085 /nfs/dbraw/zinc/77/80/85/1063778085.db2.gz MIXGFZYXTLCGNU-ALOPSCKCSA-N 1 1 322.493 4.061 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726930 1063779272 /nfs/dbraw/zinc/77/92/72/1063779272.db2.gz YWVZSRMZLAWVCM-VQIMIIECSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001258734127 1063783591 /nfs/dbraw/zinc/78/35/91/1063783591.db2.gz SMZXXHRBKAVEBS-KLAILNCOSA-N 1 1 324.509 4.451 20 30 DIEDMO C=CCC[C@@H](C)[N@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734190 1063784561 /nfs/dbraw/zinc/78/45/61/1063784561.db2.gz UVINRVLGFYPBKC-HZPDHXFCSA-N 1 1 310.482 4.061 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736467 1063784640 /nfs/dbraw/zinc/78/46/40/1063784640.db2.gz UIQVBZOKKXDZLO-CJNGLKHVSA-N 1 1 313.363 4.433 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001258733887 1063785030 /nfs/dbraw/zinc/78/50/30/1063785030.db2.gz NOYIIYWAUZLPKK-CQSZACIVSA-N 1 1 315.848 4.374 20 30 DIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2cccc(C#N)n2)cc1 ZINC001461902565 1063786461 /nfs/dbraw/zinc/78/64/61/1063786461.db2.gz MCCINVOLGCJCCP-JXFKEZNVSA-N 1 1 305.425 4.235 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](CCC)CCCC)CCC2 ZINC001258760790 1063805934 /nfs/dbraw/zinc/80/59/34/1063805934.db2.gz VFIAAEDIRMYAFR-KRWDZBQOSA-N 1 1 319.493 4.150 20 30 DIEDMO C[N@@H+](CCCOc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC001461974745 1063853117 /nfs/dbraw/zinc/85/31/17/1063853117.db2.gz ANJXPJJAQUOULN-UHFFFAOYSA-N 1 1 322.452 4.389 20 30 DIEDMO C=CC[N@H+](CCc1ccc(C)c(C)c1)Cc1cccc(C#N)c1 ZINC001461984753 1063858814 /nfs/dbraw/zinc/85/88/14/1063858814.db2.gz CAXXKOLELMVEFH-UHFFFAOYSA-N 1 1 304.437 4.406 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cc1CC ZINC001461985304 1063859546 /nfs/dbraw/zinc/85/95/46/1063859546.db2.gz FUFZBBUBZCNCRA-UHFFFAOYSA-N 1 1 320.436 4.317 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001461988796 1063861373 /nfs/dbraw/zinc/86/13/73/1063861373.db2.gz XTLNVWQYOAZCFA-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001462007610 1063876279 /nfs/dbraw/zinc/87/62/79/1063876279.db2.gz NLGGKEFTCFMJEF-UHFFFAOYSA-N 1 1 308.400 4.152 20 30 DIEDMO C#CCCC[N@H+]1CCCC2(CN(C[C@@H](CC)CCCC)C2)C1 ZINC001279239336 1064337328 /nfs/dbraw/zinc/33/73/28/1064337328.db2.gz RIJSNLALQVNLKG-IBGZPJMESA-N 1 1 304.522 4.014 20 30 DIEDMO C#CCCC[N@@H+]1CCCC2(CN(C[C@@H](CC)CCCC)C2)C1 ZINC001279239336 1064337339 /nfs/dbraw/zinc/33/73/39/1064337339.db2.gz RIJSNLALQVNLKG-IBGZPJMESA-N 1 1 304.522 4.014 20 30 DIEDMO CCCC[C@@H](CC)C[N@H+]1CCC12CN(c1cccc(C#N)c1)C2 ZINC001279745441 1064367566 /nfs/dbraw/zinc/36/75/66/1064367566.db2.gz GPIPSGYAEBBJQM-QGZVFWFLSA-N 1 1 311.473 4.039 20 30 DIEDMO C=CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(CC)C(C)C)C1 ZINC001279834060 1064369899 /nfs/dbraw/zinc/36/98/99/1064369899.db2.gz DRMLZFVZXZNDIS-UYAOXDASSA-N 1 1 320.521 4.092 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CCc2cc(C(N)=O)[nH]c2C1 ZINC001280268625 1064388164 /nfs/dbraw/zinc/38/81/64/1064388164.db2.gz KFFJWROEBMHJSG-UHFFFAOYSA-N 1 1 319.493 4.003 20 30 DIEDMO CCCCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001291562145 1064737405 /nfs/dbraw/zinc/73/74/05/1064737405.db2.gz YVOQSSPHXIOZFX-ROUUACIJSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001292338180 1064768912 /nfs/dbraw/zinc/76/89/12/1064768912.db2.gz PHQVKYCWUFWWBA-MOPGFXCFSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001292338182 1064769781 /nfs/dbraw/zinc/76/97/81/1064769781.db2.gz 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1066361199 /nfs/dbraw/zinc/36/11/99/1066361199.db2.gz WQFRIQSJLWYRLZ-NSHDSACASA-N 1 1 314.307 4.012 20 30 DIEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cscc1C(F)(F)F ZINC001308957477 1066418490 /nfs/dbraw/zinc/41/84/90/1066418490.db2.gz CFVXFHJSLGFVBZ-UHFFFAOYSA-N 1 1 316.373 4.332 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cscc1C(F)(F)F ZINC001308957477 1066418497 /nfs/dbraw/zinc/41/84/97/1066418497.db2.gz CFVXFHJSLGFVBZ-UHFFFAOYSA-N 1 1 316.373 4.332 20 30 DIEDMO CC[C@@H]1CCC[C@@H](C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)C1 ZINC001308958274 1066420513 /nfs/dbraw/zinc/42/05/13/1066420513.db2.gz FZOGGDNWSBETTH-YVWKXTFCSA-N 1 1 312.457 4.148 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000303766364 335020841 /nfs/dbraw/zinc/02/08/41/335020841.db2.gz PTYSTRURVCBSQK-HKUYNNGSSA-N 1 1 320.436 4.124 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cc(OC)ccc1OC)c1ccco1 ZINC000285773381 335028988 /nfs/dbraw/zinc/02/89/88/335028988.db2.gz SXMJXIZWNJJAEE-INIZCTEOSA-N 1 1 301.386 4.094 20 30 DIEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2c(s1)CCCC2 ZINC000272313089 130019052 /nfs/dbraw/zinc/01/90/52/130019052.db2.gz UHCWDYLHAPGHJX-CYBMUJFWSA-N 1 1 323.465 4.233 20 30 DIEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1nc2c(s1)CCCC2 ZINC000272313090 130019498 /nfs/dbraw/zinc/01/94/98/130019498.db2.gz UHCWDYLHAPGHJX-ZDUSSCGKSA-N 1 1 323.465 4.233 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273557074 130137520 /nfs/dbraw/zinc/13/75/20/130137520.db2.gz WALARZKMSNELTK-UXHICEINSA-N 1 1 324.399 4.049 20 30 DIEDMO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)c1ccc(C#N)cc1 ZINC000285733818 131197659 /nfs/dbraw/zinc/19/76/59/131197659.db2.gz QWOTYSSPCICRAV-BZNIZROVSA-N 1 1 301.340 4.033 20 30 DIEDMO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cc1O ZINC000286342978 131231786 /nfs/dbraw/zinc/23/17/86/131231786.db2.gz YYBLENCDLKGWOO-QGZVFWFLSA-N 1 1 310.372 4.133 20 30 DIEDMO Cn1c2ccc(Nc3ncc(C#N)cc3Cl)cc2[nH+]c1C1CC1 ZINC000340587704 132040802 /nfs/dbraw/zinc/04/08/02/132040802.db2.gz WOPYTQPMJHQQDL-UHFFFAOYSA-N 1 1 323.787 4.114 20 30 DIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000533417838 331524425 /nfs/dbraw/zinc/52/44/25/331524425.db2.gz NWMNACZRMPEOBE-IAGOWNOFSA-N 1 1 322.452 4.058 20 30 DIEDMO C=CC[C@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000410125096 332090279 /nfs/dbraw/zinc/09/02/79/332090279.db2.gz YNOAWHGTOUXSAL-SFHVURJKSA-N 1 1 302.462 4.001 20 30 DIEDMO C=CC[C@@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000410125095 332090400 /nfs/dbraw/zinc/09/04/00/332090400.db2.gz YNOAWHGTOUXSAL-GOSISDBHSA-N 1 1 302.462 4.001 20 30 DIEDMO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000090665552 332092496 /nfs/dbraw/zinc/09/24/96/332092496.db2.gz UFMHUTWKNIUJGC-BEFAXECRSA-N 1 1 324.424 4.399 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000091080678 332099477 /nfs/dbraw/zinc/09/94/77/332099477.db2.gz HGQVPUINZZEUIH-SFHVURJKSA-N 1 1 322.456 4.165 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1nc2ccccc2n1C ZINC000091401871 332105348 /nfs/dbraw/zinc/10/53/48/332105348.db2.gz VRBSYLMUFMDIFC-WBVHZDCISA-N 1 1 318.424 4.269 20 30 DIEDMO CC(C)CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000410338217 332113807 /nfs/dbraw/zinc/11/38/07/332113807.db2.gz SCPZMHUSYCGSKW-UHFFFAOYSA-N 1 1 306.494 4.378 20 30 DIEDMO N#Cc1ccc(C[N@@H+](CCCCC2CCOCC2)C2CC2)cc1 ZINC000410335614 332113860 /nfs/dbraw/zinc/11/38/60/332113860.db2.gz UHEUHELBPCDQFQ-UHFFFAOYSA-N 1 1 312.457 4.120 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2ccccc2Br)o1 ZINC000181278767 332190122 /nfs/dbraw/zinc/19/01/22/332190122.db2.gz CENUTZCFMZNJBZ-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2ccccc2Br)o1 ZINC000181278767 332190124 /nfs/dbraw/zinc/19/01/24/332190124.db2.gz CENUTZCFMZNJBZ-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(F)c(F)c1 ZINC000187755687 332260742 /nfs/dbraw/zinc/26/07/42/332260742.db2.gz CSDUZJDSNJWLPI-GOSISDBHSA-N 1 1 316.326 4.383 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1nccs1 ZINC000119870992 332312617 /nfs/dbraw/zinc/31/26/17/332312617.db2.gz WLJIRHLKAWJBSA-MRXNPFEDSA-N 1 1 315.442 4.067 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000560570009 332361804 /nfs/dbraw/zinc/36/18/04/332361804.db2.gz ZUBRKBSSIPBCHD-UHFFFAOYSA-N 1 1 308.425 4.344 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000560570009 332361805 /nfs/dbraw/zinc/36/18/05/332361805.db2.gz ZUBRKBSSIPBCHD-UHFFFAOYSA-N 1 1 308.425 4.344 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)c(OC)c1 ZINC000121021828 332391194 /nfs/dbraw/zinc/39/11/94/332391194.db2.gz AYFLEJTWHSYWBP-KRWDZBQOSA-N 1 1 316.445 4.171 20 30 DIEDMO N#CCC1(C[NH2+][C@@H](c2cc3ccccc3o2)c2cccnc2)CC1 ZINC000562389947 332587587 /nfs/dbraw/zinc/58/75/87/332587587.db2.gz NEKMQBKHBKZOLJ-LJQANCHMSA-N 1 1 317.392 4.201 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000178509290 333140042 /nfs/dbraw/zinc/14/00/42/333140042.db2.gz JQBNQLGICZCJHT-CQSZACIVSA-N 1 1 310.363 4.262 20 30 DIEDMO N#CC1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179605615 333153161 /nfs/dbraw/zinc/15/31/61/333153161.db2.gz HVKZFTGFHORXRS-MRXNPFEDSA-N 1 1 319.246 4.062 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000184096078 333192038 /nfs/dbraw/zinc/19/20/38/333192038.db2.gz GBMXLJPRFDHUAN-SFHVURJKSA-N 1 1 323.440 4.059 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccccc2Cl)cc1C#N ZINC000388034113 333196079 /nfs/dbraw/zinc/19/60/79/333196079.db2.gz DQOQUOYAAWEIFG-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2Cl)cc1C#N ZINC000388034113 333196080 /nfs/dbraw/zinc/19/60/80/333196080.db2.gz DQOQUOYAAWEIFG-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cs1 ZINC000184747149 333201040 /nfs/dbraw/zinc/20/10/40/333201040.db2.gz YYIVFEYXXANAKQ-CYBMUJFWSA-N 1 1 313.470 4.357 20 30 DIEDMO CCc1nc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cs1 ZINC000184747169 333201096 /nfs/dbraw/zinc/20/10/96/333201096.db2.gz YYIVFEYXXANAKQ-ZDUSSCGKSA-N 1 1 313.470 4.357 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000514085754 333250549 /nfs/dbraw/zinc/25/05/49/333250549.db2.gz XHRLXGHHKZUROS-GOSISDBHSA-N 1 1 300.446 4.380 20 30 DIEDMO CC[N@@H+](CCOc1cccc(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593799 333267553 /nfs/dbraw/zinc/26/75/53/333267553.db2.gz JUAIIUUFMYIIPL-QGZVFWFLSA-N 1 1 308.425 4.329 20 30 DIEDMO CC[N@@H+](Cc1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000497619480 333270466 /nfs/dbraw/zinc/27/04/66/333270466.db2.gz SXRIFVMLZKRBHI-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357987 333298303 /nfs/dbraw/zinc/29/83/03/333298303.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 1 1 319.537 4.293 20 30 DIEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357987 333298305 /nfs/dbraw/zinc/29/83/05/333298305.db2.gz WUPBEYNSTWGVLW-OALUTQOASA-N 1 1 319.537 4.293 20 30 DIEDMO C[C@H]([NH2+]Cc1ccsc1Br)c1cccc(C#N)c1 ZINC000388547126 333325156 /nfs/dbraw/zinc/32/51/56/333325156.db2.gz IUFFFWOFJMBAOC-JTQLQIEISA-N 1 1 321.243 4.233 20 30 DIEDMO COc1cccc([C@@H](Cc2cc(C)cc(C)c2)[NH2+]CCC#N)c1 ZINC000411468954 333677679 /nfs/dbraw/zinc/67/76/79/333677679.db2.gz DSRXKOMNKIKEGN-HXUWFJFHSA-N 1 1 308.425 4.099 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000186449269 335158047 /nfs/dbraw/zinc/15/80/47/335158047.db2.gz YXMAYXYLMMPIFV-SJKOYZFVSA-N 1 1 305.372 4.149 20 30 DIEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccc3ccccc32)CC1 ZINC000264867194 333960176 /nfs/dbraw/zinc/96/01/76/333960176.db2.gz NPIZANVZTBFYQF-QGZVFWFLSA-N 1 1 317.436 4.463 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270336549 334011637 /nfs/dbraw/zinc/01/16/37/334011637.db2.gz TXGDPAQZXSPECV-UHFFFAOYSA-N 1 1 308.347 4.182 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271262618 334020528 /nfs/dbraw/zinc/02/05/28/334020528.db2.gz KXTKTXSSAVNODN-DLBZAZTESA-N 1 1 318.461 4.278 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000414568967 334023383 /nfs/dbraw/zinc/02/33/83/334023383.db2.gz ZBLMVSXCWNAWCA-SFHVURJKSA-N 1 1 312.457 4.170 20 30 DIEDMO N#CCCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000273248536 334044693 /nfs/dbraw/zinc/04/46/93/334044693.db2.gz KNLXHRACGJROFX-HNNXBMFYSA-N 1 1 319.202 4.025 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000277725797 334090375 /nfs/dbraw/zinc/09/03/75/334090375.db2.gz NRJWTRRHTYMCID-UHFFFAOYSA-N 1 1 311.429 4.397 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278556517 334097960 /nfs/dbraw/zinc/09/79/60/334097960.db2.gz BEIDYLWNVPDJQD-CYBMUJFWSA-N 1 1 310.363 4.262 20 30 DIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000278812768 334101814 /nfs/dbraw/zinc/10/18/14/334101814.db2.gz BQYDBIUBWGFYER-INIZCTEOSA-N 1 1 308.853 4.289 20 30 DIEDMO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000279387750 334108481 /nfs/dbraw/zinc/10/84/81/334108481.db2.gz UBKLXRFJPNDKDP-HNNXBMFYSA-N 1 1 315.848 4.137 20 30 DIEDMO CC1(c2cccc(Cl)c2)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000280653131 334118836 /nfs/dbraw/zinc/11/88/36/334118836.db2.gz ZHFFFUHVPFZDGB-OAHLLOKOSA-N 1 1 315.848 4.137 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1c1cccs1 ZINC000286951295 334155163 /nfs/dbraw/zinc/15/51/63/334155163.db2.gz MOWJVGRKTOFCLV-QGZVFWFLSA-N 1 1 312.438 4.234 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289439474 334165374 /nfs/dbraw/zinc/16/53/74/334165374.db2.gz DOHWRAXXMIKUND-RBUKOAKNSA-N 1 1 324.468 4.021 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000289560050 334166524 /nfs/dbraw/zinc/16/65/24/334166524.db2.gz YMHLBZIJQAGMCY-UHFFFAOYSA-N 1 1 321.468 4.456 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ccn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000343589318 335180044 /nfs/dbraw/zinc/18/00/44/335180044.db2.gz VIKQLIKTDPHQSN-MRXNPFEDSA-N 1 1 323.362 4.236 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758809 334201899 /nfs/dbraw/zinc/20/18/99/334201899.db2.gz JSQIHPMYIORQBW-BZUAXINKSA-N 1 1 318.848 4.123 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](COc3ccccc3Cl)C2)C1 ZINC000293758816 334201906 /nfs/dbraw/zinc/20/19/06/334201906.db2.gz JSQIHPMYIORQBW-PMPSAXMXSA-N 1 1 318.848 4.123 20 30 DIEDMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CCC#N ZINC000298790806 334251486 /nfs/dbraw/zinc/25/14/86/334251486.db2.gz DKCORFDYDIKNIF-SNVBAGLBSA-N 1 1 305.834 4.336 20 30 DIEDMO Cc1csc(C2([NH2+]Cc3cccc(C#N)c3F)CCCC2)n1 ZINC000340807762 334386979 /nfs/dbraw/zinc/38/69/79/334386979.db2.gz MUNJZUAFMLGAMN-UHFFFAOYSA-N 1 1 315.417 4.021 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1csc(C2CC2)n1 ZINC000341697639 334471318 /nfs/dbraw/zinc/47/13/18/334471318.db2.gz OEIRLIXGAMIROH-KRWDZBQOSA-N 1 1 309.438 4.059 20 30 DIEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CCOCC1 ZINC000366889755 335301614 /nfs/dbraw/zinc/30/16/14/335301614.db2.gz XZSNDIKZDXNDNC-SQUSKLHYSA-N 1 1 324.468 4.265 20 30 DIEDMO Cc1c2ccccc2oc1[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000520397548 335973264 /nfs/dbraw/zinc/97/32/64/335973264.db2.gz IFYYIRSZFHUMBZ-QAPCUYQASA-N 1 1 309.413 4.471 20 30 DIEDMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1Cl ZINC000330228471 336126900 /nfs/dbraw/zinc/12/69/00/336126900.db2.gz VKKLZTDBRXEMHB-OAHLLOKOSA-N 1 1 321.808 4.163 20 30 DIEDMO CC(=O)Nc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1Cl ZINC000330228471 336126901 /nfs/dbraw/zinc/12/69/01/336126901.db2.gz VKKLZTDBRXEMHB-OAHLLOKOSA-N 1 1 321.808 4.163 20 30 DIEDMO Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c(O)c1 ZINC000330254468 336130233 /nfs/dbraw/zinc/13/02/33/336130233.db2.gz AWQUOAHFXQSAMA-INIZCTEOSA-N 1 1 302.418 4.086 20 30 DIEDMO CC[NH+](CC)[C@H](CN[C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000324413778 336213729 /nfs/dbraw/zinc/21/37/29/336213729.db2.gz WMZJLUZVYYAMAA-LAUBAEHRSA-N 1 1 321.468 4.292 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)cc1 ZINC000042313476 336238960 /nfs/dbraw/zinc/23/89/60/336238960.db2.gz YWZIMDOSEOLOGE-GFCCVEGCSA-N 1 1 315.214 4.172 20 30 DIEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000532718597 336268320 /nfs/dbraw/zinc/26/83/20/336268320.db2.gz WDMOYNCPGRPVRQ-GOSISDBHSA-N 1 1 324.472 4.430 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(C#N)cnc3ccccc32)C1 ZINC000301372310 336303133 /nfs/dbraw/zinc/30/31/33/336303133.db2.gz PZYNWANLIGXMEM-INIZCTEOSA-N 1 1 322.456 4.030 20 30 DIEDMO CCCC[N@@H+](C)CC1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301544329 336313727 /nfs/dbraw/zinc/31/37/27/336313727.db2.gz SVXQPIYMFVEGOC-UHFFFAOYSA-N 1 1 319.880 4.160 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cccc(F)c2C#N)cc1 ZINC000301550188 336314203 /nfs/dbraw/zinc/31/42/03/336314203.db2.gz QGTQAWSQBQYYDM-ZDUSSCGKSA-N 1 1 320.371 4.365 20 30 DIEDMO C=C(C)COCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301658575 336321334 /nfs/dbraw/zinc/32/13/34/336321334.db2.gz JBBKSEUIZDQRIX-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C=CCCOCCNc1cc[nH+]c2c(Br)cccc12 ZINC000301807306 336331449 /nfs/dbraw/zinc/33/14/49/336331449.db2.gz CCODZBLWKQNTSX-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C=CCCOCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000301829492 336332815 /nfs/dbraw/zinc/33/28/15/336332815.db2.gz PCJIGKODBQQAGP-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836989 336371563 /nfs/dbraw/zinc/37/15/63/336371563.db2.gz XAWMMTGKUMXJFF-ZWKOTPCHSA-N 1 1 311.816 4.069 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OC)c1 ZINC000352905443 336375833 /nfs/dbraw/zinc/37/58/33/336375833.db2.gz XXOJXQCZFMPQHV-UHFFFAOYSA-N 1 1 313.445 4.051 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(OC)c1 ZINC000352905443 336375834 /nfs/dbraw/zinc/37/58/34/336375834.db2.gz XXOJXQCZFMPQHV-UHFFFAOYSA-N 1 1 313.445 4.051 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000418090086 336398986 /nfs/dbraw/zinc/39/89/86/336398986.db2.gz DDPYYGQQFCQCKB-INIZCTEOSA-N 1 1 306.400 4.302 20 30 DIEDMO Cc1sc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)nc1C(C)C ZINC000353416414 336416435 /nfs/dbraw/zinc/41/64/35/336416435.db2.gz XNMWJSBPVNEQBS-MRXNPFEDSA-N 1 1 311.454 4.224 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000358569970 336635010 /nfs/dbraw/zinc/63/50/10/336635010.db2.gz MWFMYLMQGJXVEY-PIGZYNQJSA-N 1 1 314.335 4.011 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ncccn1)c1ccc(C(F)(F)F)cc1 ZINC000361862770 336775835 /nfs/dbraw/zinc/77/58/35/336775835.db2.gz QQCWPZSJZUEMBA-OAHLLOKOSA-N 1 1 321.346 4.293 20 30 DIEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CCC1 ZINC000418143873 336896602 /nfs/dbraw/zinc/89/66/02/336896602.db2.gz RJBZZQCTXXNQOR-UHFFFAOYSA-N 1 1 302.727 4.142 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccc3F)c2)CCC1 ZINC000418145417 336896870 /nfs/dbraw/zinc/89/68/70/336896870.db2.gz XZFJWIZUMYFYHJ-UHFFFAOYSA-N 1 1 324.399 4.188 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc[nH]1 ZINC000375896942 337022624 /nfs/dbraw/zinc/02/26/24/337022624.db2.gz BPBKOHBEOIFXSO-LSDHHAIUSA-N 1 1 316.408 4.360 20 30 DIEDMO C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000377358506 337050975 /nfs/dbraw/zinc/05/09/75/337050975.db2.gz NSHCNGBLEJMFDT-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1cccc(C#N)c1 ZINC000377359213 337050990 /nfs/dbraw/zinc/05/09/90/337050990.db2.gz ROYBELTUYSHJAZ-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO N#Cc1ccc(C[NH2+]C(c2cccs2)c2cccs2)o1 ZINC000174416040 337141856 /nfs/dbraw/zinc/14/18/56/337141856.db2.gz KINKUHPRHLJLIO-UHFFFAOYSA-N 1 1 300.408 4.153 20 30 DIEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCC(C)(C)C#N ZINC000174857445 337144907 /nfs/dbraw/zinc/14/49/07/337144907.db2.gz YVFDUZNQLZQMTB-SOLBZPMBSA-N 1 1 300.446 4.167 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000582794256 337171293 /nfs/dbraw/zinc/17/12/93/337171293.db2.gz HEPUCZGUZXDMTN-SFHVURJKSA-N 1 1 312.388 4.187 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000582809046 337183980 /nfs/dbraw/zinc/18/39/80/337183980.db2.gz DMJQNWHYLMWKNT-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO CCC(CC)c1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)on1 ZINC000582815254 337191234 /nfs/dbraw/zinc/19/12/34/337191234.db2.gz JIJYBDAFCPOXLT-GOSISDBHSA-N 1 1 309.413 4.227 20 30 DIEDMO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(C#N)cc1 ZINC000530418916 337279516 /nfs/dbraw/zinc/27/95/16/337279516.db2.gz MZJJPEQVYMRNLX-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192039272 337302264 /nfs/dbraw/zinc/30/22/64/337302264.db2.gz CWYMMLSNPOVTIH-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO C[C@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000525952171 337307730 /nfs/dbraw/zinc/30/77/30/337307730.db2.gz IYSJZYZBFFPHBN-INIZCTEOSA-N 1 1 319.452 4.368 20 30 DIEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903296 337396048 /nfs/dbraw/zinc/39/60/48/337396048.db2.gz CZFUPAPNCBDTNI-WBVHZDCISA-N 1 1 324.428 4.009 20 30 DIEDMO Cc1ccc(C(=O)C2CC[NH+](Cc3ccc(C#N)s3)CC2)cc1 ZINC000124426860 337405477 /nfs/dbraw/zinc/40/54/77/337405477.db2.gz KRWPXMLXZLEEDG-UHFFFAOYSA-N 1 1 324.449 4.023 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1c(F)cccc1F ZINC000538510835 337805874 /nfs/dbraw/zinc/80/58/74/337805874.db2.gz NJYAPIUMZOACJP-WDEREUQCSA-N 1 1 304.315 4.387 20 30 DIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000537159380 337902304 /nfs/dbraw/zinc/90/23/04/337902304.db2.gz QIJUVGWVKVEDSM-CYBMUJFWSA-N 1 1 317.791 4.190 20 30 DIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000537154901 337903108 /nfs/dbraw/zinc/90/31/08/337903108.db2.gz LULQFYAJCTWYLV-CYBMUJFWSA-N 1 1 317.791 4.190 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(C)cs1 ZINC000426450795 338032481 /nfs/dbraw/zinc/03/24/81/338032481.db2.gz NTPASYDDIXQMIR-QGZVFWFLSA-N 1 1 318.873 4.371 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428203175 338042269 /nfs/dbraw/zinc/04/22/69/338042269.db2.gz GAKGELWACGWOBG-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428203175 338042270 /nfs/dbraw/zinc/04/22/70/338042270.db2.gz GAKGELWACGWOBG-FQEVSTJZSA-N 1 1 323.415 4.100 20 30 DIEDMO CC(C)O[C@@H](C[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000428218765 338042703 /nfs/dbraw/zinc/04/27/03/338042703.db2.gz CFXLLTCKSCSBRF-SFHVURJKSA-N 1 1 302.462 4.414 20 30 DIEDMO CC(C)O[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000428218765 338042704 /nfs/dbraw/zinc/04/27/04/338042704.db2.gz CFXLLTCKSCSBRF-SFHVURJKSA-N 1 1 302.462 4.414 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)CCCC2 ZINC000428305557 338046588 /nfs/dbraw/zinc/04/65/88/338046588.db2.gz KZQRICYONNNRNY-AWEZNQCLSA-N 1 1 308.400 4.427 20 30 DIEDMO C=CC[N@@H+](Cc1oc(CCC)nc1C)Cc1ccc(OC)cc1 ZINC000428473439 338054309 /nfs/dbraw/zinc/05/43/09/338054309.db2.gz MLBBJPBCUYYFIL-UHFFFAOYSA-N 1 1 314.429 4.132 20 30 DIEDMO C=CC[N@H+](Cc1oc(CCC)nc1C)Cc1ccc(OC)cc1 ZINC000428473439 338054310 /nfs/dbraw/zinc/05/43/10/338054310.db2.gz MLBBJPBCUYYFIL-UHFFFAOYSA-N 1 1 314.429 4.132 20 30 DIEDMO C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccc(C#N)cc1 ZINC000428849317 338062275 /nfs/dbraw/zinc/06/22/75/338062275.db2.gz LBTQTCBZELAJIV-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO CSc1ccccc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000428950700 338066214 /nfs/dbraw/zinc/06/62/14/338066214.db2.gz GQSGBTGRTZEQIP-LBPRGKRZSA-N 1 1 300.402 4.270 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428954303 338066452 /nfs/dbraw/zinc/06/64/52/338066452.db2.gz RFYCPTHKLJHBPE-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428954303 338066453 /nfs/dbraw/zinc/06/64/53/338066453.db2.gz RFYCPTHKLJHBPE-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429142210 338071712 /nfs/dbraw/zinc/07/17/12/338071712.db2.gz NIWZBTPJFVVPEJ-HNNXBMFYSA-N 1 1 308.878 4.446 20 30 DIEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430216217 338101784 /nfs/dbraw/zinc/10/17/84/338101784.db2.gz IHEAYOUUFWFBLO-HNNXBMFYSA-N 1 1 310.210 4.139 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)o1 ZINC000430194992 338100799 /nfs/dbraw/zinc/10/07/99/338100799.db2.gz LZODWTLBDYFOEW-MRXNPFEDSA-N 1 1 318.829 4.171 20 30 DIEDMO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1 ZINC000430216217 338101783 /nfs/dbraw/zinc/10/17/83/338101783.db2.gz IHEAYOUUFWFBLO-HNNXBMFYSA-N 1 1 310.210 4.139 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000432750879 338166303 /nfs/dbraw/zinc/16/63/03/338166303.db2.gz PILRLCGWXAVPRO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccc(C#N)cc1 ZINC000432750879 338166304 /nfs/dbraw/zinc/16/63/04/338166304.db2.gz PILRLCGWXAVPRO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)cc1OC ZINC000432800706 338168541 /nfs/dbraw/zinc/16/85/41/338168541.db2.gz PSCZPYYVBHJUAM-OAHLLOKOSA-N 1 1 301.430 4.025 20 30 DIEDMO C[N@@H+](CCSCc1cc(C#N)ccc1F)Cc1ccccc1 ZINC000433023700 338176836 /nfs/dbraw/zinc/17/68/36/338176836.db2.gz SNVSDPVBBYDBHY-UHFFFAOYSA-N 1 1 314.429 4.063 20 30 DIEDMO C[N@@H+](CCSCc1ccc(F)cc1C#N)Cc1ccccc1 ZINC000433043052 338178070 /nfs/dbraw/zinc/17/80/70/338178070.db2.gz ZLAXVHNLBIEZKY-UHFFFAOYSA-N 1 1 314.429 4.063 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)c(F)c1 ZINC000433103182 338181902 /nfs/dbraw/zinc/18/19/02/338181902.db2.gz KNRMUTYGTYUCFQ-SECBINFHSA-N 1 1 324.733 4.480 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000433308301 338190935 /nfs/dbraw/zinc/19/09/35/338190935.db2.gz XTJQXKASSPACEW-GOSISDBHSA-N 1 1 310.828 4.396 20 30 DIEDMO C[C@@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283224 338265799 /nfs/dbraw/zinc/26/57/99/338265799.db2.gz LEFRERIHFLYPOS-UZLBHIALSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283224 338265800 /nfs/dbraw/zinc/26/58/00/338265800.db2.gz LEFRERIHFLYPOS-UZLBHIALSA-N 1 1 311.473 4.006 20 30 DIEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000437128232 338302247 /nfs/dbraw/zinc/30/22/47/338302247.db2.gz ZZHNLOPSKVQSID-UHFFFAOYSA-N 1 1 322.380 4.162 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC(F)F)s1 ZINC000437128232 338302248 /nfs/dbraw/zinc/30/22/48/338302248.db2.gz ZZHNLOPSKVQSID-UHFFFAOYSA-N 1 1 322.380 4.162 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000438729286 338351314 /nfs/dbraw/zinc/35/13/14/338351314.db2.gz FEIGBBFMLIBAPB-HXUWFJFHSA-N 1 1 318.420 4.219 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(F)c1F ZINC000439434203 338369220 /nfs/dbraw/zinc/36/92/20/338369220.db2.gz BDIUDXGSQAGYOS-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl ZINC000439432453 338369235 /nfs/dbraw/zinc/36/92/35/338369235.db2.gz UHAIZTMCAGFUKX-UHFFFAOYSA-N 1 1 323.827 4.494 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1Cl ZINC000439432453 338369236 /nfs/dbraw/zinc/36/92/36/338369236.db2.gz UHAIZTMCAGFUKX-UHFFFAOYSA-N 1 1 323.827 4.494 20 30 DIEDMO C=CCCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000447819402 338567779 /nfs/dbraw/zinc/56/77/79/338567779.db2.gz ZWZIDDJHTFAMJV-UHFFFAOYSA-N 1 1 310.401 4.068 20 30 DIEDMO C=CCC[N@H+](C)Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459503182 339032838 /nfs/dbraw/zinc/03/28/38/339032838.db2.gz GCIMXJNPZORLLT-UHFFFAOYSA-N 1 1 310.445 4.068 20 30 DIEDMO C=CCCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cc[nH+]c1C ZINC000459997916 339051468 /nfs/dbraw/zinc/05/14/68/339051468.db2.gz AQXFLOAVJWABSA-UHFFFAOYSA-N 1 1 323.318 4.104 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)ccc1C#N ZINC000463037974 339102245 /nfs/dbraw/zinc/10/22/45/339102245.db2.gz VZJGGLOFCWDEQR-CVEARBPZSA-N 1 1 310.363 4.420 20 30 DIEDMO Cn1c2ccc(N[C@H]3CCC[C@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000463245532 339111757 /nfs/dbraw/zinc/11/17/57/339111757.db2.gz DWZNKQCFSANFLX-KBPBESRZSA-N 1 1 310.445 4.365 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463441777 339117841 /nfs/dbraw/zinc/11/78/41/339117841.db2.gz SLHLMLHHZJNNPY-ICSRJNTNSA-N 1 1 301.474 4.048 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463443093 339117939 /nfs/dbraw/zinc/11/79/39/339117939.db2.gz WMDRFPXUWCPVPP-HXUWFJFHSA-N 1 1 301.474 4.050 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000464733588 339150492 /nfs/dbraw/zinc/15/04/92/339150492.db2.gz JUJYAVOKKPLGCV-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000464733588 339150493 /nfs/dbraw/zinc/15/04/93/339150493.db2.gz JUJYAVOKKPLGCV-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000467195152 339227763 /nfs/dbraw/zinc/22/77/63/339227763.db2.gz FSKGZLKVXHDQNE-OAHLLOKOSA-N 1 1 310.210 4.139 20 30 DIEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1 ZINC000467195152 339227764 /nfs/dbraw/zinc/22/77/64/339227764.db2.gz FSKGZLKVXHDQNE-OAHLLOKOSA-N 1 1 310.210 4.139 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)[C@@H](C)c1ccccc1OC ZINC000466705022 339213487 /nfs/dbraw/zinc/21/34/87/339213487.db2.gz FZPSDOMFAIHUHV-HNNXBMFYSA-N 1 1 306.475 4.115 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000466709614 339213786 /nfs/dbraw/zinc/21/37/86/339213786.db2.gz FIDUCZUKCBWKJL-DLBZAZTESA-N 1 1 324.534 4.083 20 30 DIEDMO CCC[N@@H+](CCCSCC#N)Cc1c(F)cccc1Cl ZINC000466713543 339213995 /nfs/dbraw/zinc/21/39/95/339213995.db2.gz OQXDGVHGHJYWPM-UHFFFAOYSA-N 1 1 314.857 4.338 20 30 DIEDMO N#CCSCCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000466724722 339214331 /nfs/dbraw/zinc/21/43/31/339214331.db2.gz KZUGCLOFDDWHTG-FQEVSTJZSA-N 1 1 322.477 4.281 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc2ccc(F)cc2o1 ZINC000466812381 339217671 /nfs/dbraw/zinc/21/76/71/339217671.db2.gz MBHNTVIYUAQVFR-UHFFFAOYSA-N 1 1 310.372 4.198 20 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339281154 /nfs/dbraw/zinc/28/11/54/339281154.db2.gz UNFMWYAKZFEPBX-ICSRJNTNSA-N 1 1 308.400 4.140 20 30 DIEDMO COc1cccc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)c1 ZINC000469152464 339281546 /nfs/dbraw/zinc/28/15/46/339281546.db2.gz GFVXRTXVWUKRMF-UHFFFAOYSA-N 1 1 324.399 4.086 20 30 DIEDMO C=CCOCCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000470728257 339326371 /nfs/dbraw/zinc/32/63/71/339326371.db2.gz ZXXJPAZOLXBUJZ-QGZVFWFLSA-N 1 1 319.495 4.350 20 30 DIEDMO C=CCOCCC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000470778300 339327839 /nfs/dbraw/zinc/32/78/39/339327839.db2.gz GCHMNEUZQXCZDR-UHFFFAOYSA-N 1 1 322.452 4.306 20 30 DIEDMO C=C(C)C[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZINC000470908280 339330971 /nfs/dbraw/zinc/33/09/71/339330971.db2.gz XRBMAUHGEXKVSD-UHFFFAOYSA-N 1 1 322.452 4.320 20 30 DIEDMO C=C(C)C[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1 ZINC000470908280 339330972 /nfs/dbraw/zinc/33/09/72/339330972.db2.gz XRBMAUHGEXKVSD-UHFFFAOYSA-N 1 1 322.452 4.320 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C)c1C(F)(F)F)Cc1ccccc1 ZINC000470918545 339331298 /nfs/dbraw/zinc/33/12/98/339331298.db2.gz MWIYSBJLBKPOJY-UHFFFAOYSA-N 1 1 323.362 4.017 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C)c1C(F)(F)F)Cc1ccccc1 ZINC000470918545 339331299 /nfs/dbraw/zinc/33/12/99/339331299.db2.gz MWIYSBJLBKPOJY-UHFFFAOYSA-N 1 1 323.362 4.017 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470922652 339331354 /nfs/dbraw/zinc/33/13/54/339331354.db2.gz ZHLMYCCQOMZWHF-KRWDZBQOSA-N 1 1 318.436 4.137 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCCCC2 ZINC000472228103 339366621 /nfs/dbraw/zinc/36/66/21/339366621.db2.gz YNPSWQWXASKPIW-IRXDYDNUSA-N 1 1 306.494 4.376 20 30 DIEDMO CC1CCC([N@@H+](CCCC(C)(C)C#N)C[C@@H]2CCCO2)CC1 ZINC000472229161 339366662 /nfs/dbraw/zinc/36/66/62/339366662.db2.gz ANWDJXPYDWOYNK-ABHNRTSZSA-N 1 1 306.494 4.376 20 30 DIEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000472761812 339377093 /nfs/dbraw/zinc/37/70/93/339377093.db2.gz 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COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000501252908 340077266 /nfs/dbraw/zinc/07/72/66/340077266.db2.gz KGGZGEGRAGMPAC-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)c1cccc(OC)c1 ZINC000501269821 340077644 /nfs/dbraw/zinc/07/76/44/340077644.db2.gz RHEZUCQKPYTQDI-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000501266707 340077654 /nfs/dbraw/zinc/07/76/54/340077654.db2.gz NXRRDWAUMIKENM-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccccc1 ZINC000502323448 340099808 /nfs/dbraw/zinc/09/98/08/340099808.db2.gz DSVIVCVGRPJIKM-UHFFFAOYSA-N 1 1 322.452 4.116 20 30 DIEDMO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)Cc1ccccc1 ZINC000502323448 340099809 /nfs/dbraw/zinc/09/98/09/340099809.db2.gz DSVIVCVGRPJIKM-UHFFFAOYSA-N 1 1 322.452 4.116 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000502506943 340106260 /nfs/dbraw/zinc/10/62/60/340106260.db2.gz 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/nfs/dbraw/zinc/17/95/94/340179594.db2.gz OIAFSDYPCGECIA-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2cccs2)cc1OC ZINC000506029571 340183837 /nfs/dbraw/zinc/18/38/37/340183837.db2.gz DEKSRDQUPWESAG-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO C[C@H](c1ccccc1Br)[NH+]1CCC(C)(C#N)CC1 ZINC000506032153 340183960 /nfs/dbraw/zinc/18/39/60/340183960.db2.gz PCQUHAASJXOGPJ-GFCCVEGCSA-N 1 1 307.235 4.136 20 30 DIEDMO COc1ccc2cc(C[N@@H+](C)Cc3cc(C#N)cs3)ccc2c1 ZINC000506039886 340184058 /nfs/dbraw/zinc/18/40/58/340184058.db2.gz DXFDNGKGGDYOFI-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1OC(F)F ZINC000506133626 340186368 /nfs/dbraw/zinc/18/63/68/340186368.db2.gz AMSYEDKCDIFQRV-UHFFFAOYSA-N 1 1 303.352 4.476 20 30 DIEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)CC1CCCCC1 ZINC000506323653 340192134 /nfs/dbraw/zinc/19/21/34/340192134.db2.gz BMKWWDSYDOTGOP-UHFFFAOYSA-N 1 1 300.446 4.381 20 30 DIEDMO Cc1cc(C)cc(OCCC[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000506377290 340193584 /nfs/dbraw/zinc/19/35/84/340193584.db2.gz KTQDATRZHCUURK-UHFFFAOYSA-N 1 1 308.425 4.076 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC(C)(C)CCC#N ZINC000507146092 340209446 /nfs/dbraw/zinc/20/94/46/340209446.db2.gz VNBANKINVNJLJK-SFHVURJKSA-N 1 1 300.446 4.334 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cccc(C#N)c1 ZINC000507144618 340209536 /nfs/dbraw/zinc/20/95/36/340209536.db2.gz QYCWLOJWIOWPEG-HXUWFJFHSA-N 1 1 306.409 4.076 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000507146483 340209644 /nfs/dbraw/zinc/20/96/44/340209644.db2.gz XERAPFOUJUINEG-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000507151378 340209689 /nfs/dbraw/zinc/20/96/89/340209689.db2.gz FBJWXIVRNXRROH-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO C[N@@H+](CCCc1ccccc1)Cc1cccc(OCCCC#N)c1 ZINC000507169680 340210841 /nfs/dbraw/zinc/21/08/41/340210841.db2.gz KHLCOSFPEQJPRN-UHFFFAOYSA-N 1 1 322.452 4.434 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000507221128 340214132 /nfs/dbraw/zinc/21/41/32/340214132.db2.gz FQIMSJPVHNQXTM-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C(F)(F)F)ccc1F ZINC000507221128 340214133 /nfs/dbraw/zinc/21/41/33/340214133.db2.gz FQIMSJPVHNQXTM-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507442277 340219779 /nfs/dbraw/zinc/21/97/79/340219779.db2.gz OEVRGVLESGWHFI-MRXNPFEDSA-N 1 1 320.436 4.368 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000507728630 340229708 /nfs/dbraw/zinc/22/97/08/340229708.db2.gz YYYUKARIBWQLLG-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO CC(C)C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000507734268 340229880 /nfs/dbraw/zinc/22/98/80/340229880.db2.gz USWDBDDZRCNRLU-UHFFFAOYSA-N 1 1 324.472 4.168 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000508510694 340245254 /nfs/dbraw/zinc/24/52/54/340245254.db2.gz LQRBVCLPOCFAGJ-UHFFFAOYSA-N 1 1 321.424 4.042 20 30 DIEDMO CC[N@@H+](Cc1ccccc1N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000508605317 340247806 /nfs/dbraw/zinc/24/78/06/340247806.db2.gz QURBTDYWNDWZAF-MRXNPFEDSA-N 1 1 307.441 4.207 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)CCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000508606755 340247833 /nfs/dbraw/zinc/24/78/33/340247833.db2.gz ZKHZLVMERSLFKM-OAHLLOKOSA-N 1 1 306.409 4.076 20 30 DIEDMO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@@H](C)c1ccc(C#N)cc1 ZINC000508671653 340250319 /nfs/dbraw/zinc/25/03/19/340250319.db2.gz NNUOPETVIMHSQP-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)o1 ZINC000508692800 340250896 /nfs/dbraw/zinc/25/08/96/340250896.db2.gz FZBGOTDXAOAEJR-UHFFFAOYSA-N 1 1 312.388 4.278 20 30 DIEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@H]1C ZINC000509009061 340258032 /nfs/dbraw/zinc/25/80/32/340258032.db2.gz WSOOKDJNBJYNMQ-CJNGLKHVSA-N 1 1 324.262 4.177 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2c(F)cccc2Cl)o1 ZINC000509379188 340267860 /nfs/dbraw/zinc/26/78/60/340267860.db2.gz MTCFNLYGZHZHSO-GFCCVEGCSA-N 1 1 318.779 4.151 20 30 DIEDMO CCOc1ccc(C2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000509417060 340268867 /nfs/dbraw/zinc/26/88/67/340268867.db2.gz ONSPRXONJSHHKD-UHFFFAOYSA-N 1 1 318.420 4.246 20 30 DIEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)c1cccc(Br)c1 ZINC000509776204 340278842 /nfs/dbraw/zinc/27/88/42/340278842.db2.gz XRUQGLXOIMOPGY-STQMWFEESA-N 1 1 309.251 4.034 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1CC ZINC000302734307 340280164 /nfs/dbraw/zinc/28/01/64/340280164.db2.gz AORKRJRRDKSUJU-HNNXBMFYSA-N 1 1 318.486 4.168 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC ZINC000302734307 340280165 /nfs/dbraw/zinc/28/01/65/340280165.db2.gz AORKRJRRDKSUJU-HNNXBMFYSA-N 1 1 318.486 4.168 20 30 DIEDMO C=CC[N@H+](CCc1scnc1C)Cc1ccc(Cl)s1 ZINC000509845912 340281550 /nfs/dbraw/zinc/28/15/50/340281550.db2.gz IOTNFFWBDPHZOO-UHFFFAOYSA-N 1 1 312.891 4.397 20 30 DIEDMO C=CCCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000510152202 340290762 /nfs/dbraw/zinc/29/07/62/340290762.db2.gz UKWQIXOHUYBNBE-KRWDZBQOSA-N 1 1 300.446 4.008 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510483233 340300813 /nfs/dbraw/zinc/30/08/13/340300813.db2.gz SOLHHCTUENBNKG-OAHLLOKOSA-N 1 1 313.420 4.114 20 30 DIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1cccc(C#N)c1 ZINC000303086170 340301235 /nfs/dbraw/zinc/30/12/35/340301235.db2.gz BHSSUKFFHSXIAE-UHFFFAOYSA-N 1 1 300.405 4.386 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510792463 340311197 /nfs/dbraw/zinc/31/11/97/340311197.db2.gz RPBUDWXQPJXAFS-ZDUSSCGKSA-N 1 1 302.399 4.406 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000510792462 340311258 /nfs/dbraw/zinc/31/12/58/340311258.db2.gz RPBUDWXQPJXAFS-CYBMUJFWSA-N 1 1 302.399 4.406 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000303194469 340311588 /nfs/dbraw/zinc/31/15/88/340311588.db2.gz MUMNXJQBCQWJDN-UHFFFAOYSA-N 1 1 308.400 4.152 20 30 DIEDMO C=C(C)CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000510815816 340311800 /nfs/dbraw/zinc/31/18/00/340311800.db2.gz WSZNZPPHDBUAJJ-CQSZACIVSA-N 1 1 310.235 4.171 20 30 DIEDMO N#Cc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000511837131 340339594 /nfs/dbraw/zinc/33/95/94/340339594.db2.gz CMXUVWHIYFHCSO-HBMCJLEFSA-N 1 1 302.421 4.326 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1OC ZINC000511875318 340341356 /nfs/dbraw/zinc/34/13/56/340341356.db2.gz RTOAJQLNQXOLEQ-IAGOWNOFSA-N 1 1 301.430 4.025 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(CC)nc1)c1ccc(F)c(F)c1 ZINC000511912749 340342799 /nfs/dbraw/zinc/34/27/99/340342799.db2.gz RVASQAMXFZBUMV-GOSISDBHSA-N 1 1 302.368 4.329 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccc(F)c1 ZINC000512149413 340350047 /nfs/dbraw/zinc/35/00/47/340350047.db2.gz RLUYNVGVCBMFLI-AWEZNQCLSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](CCCc1ccc(C)cc1)Cc1ccc(CO)o1 ZINC000512184245 340351329 /nfs/dbraw/zinc/35/13/29/340351329.db2.gz WQBGGGWNMXLLTK-UHFFFAOYSA-N 1 1 313.441 4.091 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCc2ccccc21 ZINC000512192735 340351729 /nfs/dbraw/zinc/35/17/29/340351729.db2.gz BSTFLKGSOYARHT-FQEVSTJZSA-N 1 1 311.425 4.228 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(C)C)cc1 ZINC000512221529 340352897 /nfs/dbraw/zinc/35/28/97/340352897.db2.gz YLPOPDQODPVFME-UHFFFAOYSA-N 1 1 313.441 4.474 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512408422 340360916 /nfs/dbraw/zinc/36/09/16/340360916.db2.gz GYHHBGBGTHPXNC-IBGZPJMESA-N 1 1 324.399 4.433 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2F)cc1 ZINC000512408422 340360917 /nfs/dbraw/zinc/36/09/17/340360917.db2.gz GYHHBGBGTHPXNC-IBGZPJMESA-N 1 1 324.399 4.433 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(Cl)c1 ZINC000512411588 340360956 /nfs/dbraw/zinc/36/09/56/340360956.db2.gz ZMHIZQFIVYZVNI-UHFFFAOYSA-N 1 1 323.795 4.143 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)c(Cl)c1 ZINC000512411588 340360957 /nfs/dbraw/zinc/36/09/57/340360957.db2.gz ZMHIZQFIVYZVNI-UHFFFAOYSA-N 1 1 323.795 4.143 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000512531175 340365840 /nfs/dbraw/zinc/36/58/40/340365840.db2.gz DUQCRSUSGXXOLZ-UHFFFAOYSA-N 1 1 305.780 4.334 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1 ZINC000512536911 340365982 /nfs/dbraw/zinc/36/59/82/340365982.db2.gz MGFSJKATPOZWIT-UHFFFAOYSA-N 1 1 301.409 4.181 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(F)cc1 ZINC000512536911 340365983 /nfs/dbraw/zinc/36/59/83/340365983.db2.gz MGFSJKATPOZWIT-UHFFFAOYSA-N 1 1 301.409 4.181 20 30 DIEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512617900 340369211 /nfs/dbraw/zinc/36/92/11/340369211.db2.gz GVORYTUMPZBJAS-ACJLOTCBSA-N 1 1 310.372 4.099 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1F ZINC000512619145 340369396 /nfs/dbraw/zinc/36/93/96/340369396.db2.gz LDZSLMSMDXCDPO-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512629616 340370029 /nfs/dbraw/zinc/37/00/29/340370029.db2.gz JKIGRQVPAOKFCA-NWDGAFQWSA-N 1 1 316.351 4.257 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000512652607 340371039 /nfs/dbraw/zinc/37/10/39/340371039.db2.gz AQUSOKGEVUWSHS-VXGBXAGGSA-N 1 1 313.332 4.017 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1ccc(C#N)cc1F ZINC000512662192 340371698 /nfs/dbraw/zinc/37/16/98/340371698.db2.gz WCALBAKTZBZRDQ-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO CCc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512667065 340372071 /nfs/dbraw/zinc/37/20/71/340372071.db2.gz NXVAOLLWBRESCD-DJJJIMSYSA-N 1 1 324.399 4.434 20 30 DIEDMO CC(C)[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000174872095 340397976 /nfs/dbraw/zinc/39/79/76/340397976.db2.gz AWJVASPNHMENGK-UHFFFAOYSA-N 1 1 323.440 4.001 20 30 DIEDMO CC[C@H]1C[N@@H+](CCCSCC#N)CC[C@@H]1c1ccccc1 ZINC000174888877 340398511 /nfs/dbraw/zinc/39/85/11/340398511.db2.gz HXSWVWLRHMJGRR-WMZOPIPTSA-N 1 1 302.487 4.149 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)c(Cl)c1 ZINC000528660035 340728461 /nfs/dbraw/zinc/72/84/61/340728461.db2.gz PDKWKEAVMBDGGU-GOSISDBHSA-N 1 1 311.816 4.238 20 30 DIEDMO C=CC[C@@H](C)[NH2+][C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124230166 340797826 /nfs/dbraw/zinc/79/78/26/340797826.db2.gz JWKYPQQCWAODIB-CRAIPNDOSA-N 1 1 319.408 4.380 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1cccc(Cl)c1)c1nccs1 ZINC000125488686 340804475 /nfs/dbraw/zinc/80/44/75/340804475.db2.gz VNEGZIQQSGMAHK-INIZCTEOSA-N 1 1 304.846 4.063 20 30 DIEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OCCC(C)C ZINC000538389974 340819934 /nfs/dbraw/zinc/81/99/34/340819934.db2.gz MRUHICCJGARYCH-HNNXBMFYSA-N 1 1 316.445 4.074 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000540328883 340927198 /nfs/dbraw/zinc/92/71/98/340927198.db2.gz VKUHTQGJMWYFQC-OAHLLOKOSA-N 1 1 324.424 4.205 20 30 DIEDMO C[C@H](C#N)C[N@@H+](CCCc1ccccc1Br)C1CC1 ZINC000542207593 341000047 /nfs/dbraw/zinc/00/00/47/341000047.db2.gz NHRJHEJJJAAZOV-CYBMUJFWSA-N 1 1 321.262 4.006 20 30 DIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542277365 341003200 /nfs/dbraw/zinc/00/32/00/341003200.db2.gz PNXZWYIYLLKVSI-JXFKEZNVSA-N 1 1 322.477 4.431 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000542678503 341016991 /nfs/dbraw/zinc/01/69/91/341016991.db2.gz UUOHJHLOMBQMTM-HXUWFJFHSA-N 1 1 316.489 4.449 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cnc(C3CCCCC3)s2)CC1 ZINC000542810809 341021523 /nfs/dbraw/zinc/02/15/23/341021523.db2.gz JEHWMIUWZNRUEM-UHFFFAOYSA-N 1 1 303.475 4.316 20 30 DIEDMO N#CCC1CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000542851332 341023643 /nfs/dbraw/zinc/02/36/43/341023643.db2.gz WKSLLMAIOQUNJW-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000543139261 341033672 /nfs/dbraw/zinc/03/36/72/341033672.db2.gz OQOPCSAJQCFANN-MRXNPFEDSA-N 1 1 303.409 4.207 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1c(F)cccc1Cl ZINC000543185886 341035897 /nfs/dbraw/zinc/03/58/97/341035897.db2.gz UJQBTYKKENWACF-GFCCVEGCSA-N 1 1 302.780 4.396 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000543208046 341037002 /nfs/dbraw/zinc/03/70/02/341037002.db2.gz KCSRTBIGSJQBHX-RTWAWAEBSA-N 1 1 315.420 4.024 20 30 DIEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC(C)(C)CCC#N ZINC000130741369 341040253 /nfs/dbraw/zinc/04/02/53/341040253.db2.gz DQKVCLMXUYXEDL-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO C[N@H+](C/C=C\c1ccc(F)cc1F)Cc1cc(C#N)ccc1F ZINC000543628509 341051864 /nfs/dbraw/zinc/05/18/64/341051864.db2.gz SSRBTQYDZVLNCU-IHWYPQMZSA-N 1 1 316.326 4.121 20 30 DIEDMO C[N@@H+](C/C=C\c1ccc(F)cc1F)Cc1cc(C#N)ccc1F ZINC000543628509 341051865 /nfs/dbraw/zinc/05/18/65/341051865.db2.gz SSRBTQYDZVLNCU-IHWYPQMZSA-N 1 1 316.326 4.121 20 30 DIEDMO COc1cc(Cl)c(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC000543781823 341058505 /nfs/dbraw/zinc/05/85/05/341058505.db2.gz UGYHCXNVQPVUHG-UHFFFAOYSA-N 1 1 313.228 4.128 20 30 DIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000544144050 341072067 /nfs/dbraw/zinc/07/20/67/341072067.db2.gz OEUCWQUYZHADCQ-LAUBAEHRSA-N 1 1 304.437 4.206 20 30 DIEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000544365877 341078243 /nfs/dbraw/zinc/07/82/43/341078243.db2.gz LXKMEBWPSIRXAZ-QGZVFWFLSA-N 1 1 300.446 4.237 20 30 DIEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000544365876 341078343 /nfs/dbraw/zinc/07/83/43/341078343.db2.gz LXKMEBWPSIRXAZ-KRWDZBQOSA-N 1 1 300.446 4.237 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367266 341078437 /nfs/dbraw/zinc/07/84/37/341078437.db2.gz UTOGDPKSNQAEQA-ACJLOTCBSA-N 1 1 312.438 4.211 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000131643962 341105643 /nfs/dbraw/zinc/10/56/43/341105643.db2.gz BXGIXRTZUHPRFJ-KRWDZBQOSA-N 1 1 319.452 4.351 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)c(F)c1 ZINC000237709637 341218789 /nfs/dbraw/zinc/21/87/89/341218789.db2.gz LPZWAOJSYPPFDE-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)o1 ZINC000135136835 341232135 /nfs/dbraw/zinc/23/21/35/341232135.db2.gz FDUJENQPQQTDMX-AWEZNQCLSA-N 1 1 304.802 4.131 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000548934732 341281614 /nfs/dbraw/zinc/28/16/14/341281614.db2.gz QBKBGTVTKCJNJN-MRXNPFEDSA-N 1 1 322.374 4.307 20 30 DIEDMO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)ccc1C#N ZINC000549172000 341287968 /nfs/dbraw/zinc/28/79/68/341287968.db2.gz LOPWJGFOGHMJFJ-INIZCTEOSA-N 1 1 322.374 4.421 20 30 DIEDMO CC[C@@H]1C[N@@H+](CCCSCC#N)CC[C@H]1c1ccccc1 ZINC000245408574 341291525 /nfs/dbraw/zinc/29/15/25/341291525.db2.gz HXSWVWLRHMJGRR-SJLPKXTDSA-N 1 1 302.487 4.149 20 30 DIEDMO C[N@@H+](CCCSCC#N)C1c2ccccc2-c2ccccc21 ZINC000081596919 341298335 /nfs/dbraw/zinc/29/83/35/341298335.db2.gz 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341362751 /nfs/dbraw/zinc/36/27/51/341362751.db2.gz DOMAUGUTZBRZQM-YLJYHZDGSA-N 1 1 320.436 4.158 20 30 DIEDMO C=CC[N@H+](CCCCCn1cc(C)cn1)Cc1ccccc1F ZINC000552131480 341371952 /nfs/dbraw/zinc/37/19/52/341371952.db2.gz KNOUILIRPUHTDI-UHFFFAOYSA-N 1 1 315.436 4.189 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000552290908 341384575 /nfs/dbraw/zinc/38/45/75/341384575.db2.gz YVYCTOKYHDJEIP-SJCJKPOMSA-N 1 1 300.402 4.342 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000249409588 341397340 /nfs/dbraw/zinc/39/73/40/341397340.db2.gz XMZJCXKIAFTHLC-YLJYHZDGSA-N 1 1 320.436 4.158 20 30 DIEDMO N#CCCC1CC[NH+](Cc2csc(C3CCCC3)n2)CC1 ZINC000567265559 341592334 /nfs/dbraw/zinc/59/23/34/341592334.db2.gz ZBPUFHNIJOPYMH-UHFFFAOYSA-N 1 1 303.475 4.316 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc(C(C)(C)C)cs1 ZINC000176965431 341908026 /nfs/dbraw/zinc/90/80/26/341908026.db2.gz IZXKPZITWNESPJ-JTQLQIEISA-N 1 1 305.472 4.225 20 30 DIEDMO CC(C)c1nc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566131 519868117 /nfs/dbraw/zinc/86/81/17/519868117.db2.gz WFCZVWQMZIENJA-PBHICJAKSA-N 1 1 324.428 4.005 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccnc(Br)c1 ZINC000815010829 1041902607 /nfs/dbraw/zinc/90/26/07/1041902607.db2.gz PIRFHWNVMLYIFP-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(Br)c1 ZINC000815010829 1041902611 /nfs/dbraw/zinc/90/26/11/1041902611.db2.gz PIRFHWNVMLYIFP-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2cc(Br)cnc12 ZINC001144706992 1050667298 /nfs/dbraw/zinc/66/72/98/1050667298.db2.gz WGKHPQWFGONTCK-UHFFFAOYSA-N 1 1 322.250 4.114 20 30 DIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCCC#N ZINC000185929697 1051789727 /nfs/dbraw/zinc/78/97/27/1051789727.db2.gz LXQYWOCIFRVJFI-AWEZNQCLSA-N 1 1 309.251 4.006 20 30 DIEDMO CC#CC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001617875702 1056894206 /nfs/dbraw/zinc/89/42/06/1056894206.db2.gz VXIYGRVNOFFQIS-UHFFFAOYSA-N 1 1 309.253 4.179 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)cc(C#N)c1 ZINC001139876293 1035503515 /nfs/dbraw/zinc/50/35/15/1035503515.db2.gz QGQBRUVBDATUGM-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000187678981 1035565404 /nfs/dbraw/zinc/56/54/04/1035565404.db2.gz STUZYZXRHDVIAU-MRXNPFEDSA-N 1 1 318.420 4.025 20 30 DIEDMO Cc1ccncc1CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000579763393 1035566684 /nfs/dbraw/zinc/56/66/84/1035566684.db2.gz YBMGNUKUKVEYDQ-UHFFFAOYSA-N 1 1 307.441 4.105 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153948858 1035636098 /nfs/dbraw/zinc/63/60/98/1035636098.db2.gz VZCTWORQIDECBH-LJQANCHMSA-N 1 1 305.425 4.220 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062665 1035681594 /nfs/dbraw/zinc/68/15/94/1035681594.db2.gz MHYCDFSJMSDODH-CJNGLKHVSA-N 1 1 314.256 4.457 20 30 DIEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216083 1035751240 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COc1ccc(CCC[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001167138910 1036175695 /nfs/dbraw/zinc/17/56/95/1036175695.db2.gz SOGSWQDUGFTQEC-UHFFFAOYSA-N 1 1 314.473 4.424 20 30 DIEDMO C=CCCCCCC[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209441056 1036188200 /nfs/dbraw/zinc/18/82/00/1036188200.db2.gz SIOBMZKQUOMAFL-CQSZACIVSA-N 1 1 301.356 4.479 20 30 DIEDMO C=CCCCCCCC[N@H+]1CCC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001209442097 1036188594 /nfs/dbraw/zinc/18/85/94/1036188594.db2.gz TYJCLPNUJIBPIX-HXUWFJFHSA-N 1 1 318.505 4.014 20 30 DIEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108730 1036312420 /nfs/dbraw/zinc/31/24/20/1036312420.db2.gz VFSQKSDOBWXDIX-RDTXWAMCSA-N 1 1 318.848 4.254 20 30 DIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCC1(C)C ZINC001167314942 1036662492 /nfs/dbraw/zinc/66/24/92/1036662492.db2.gz SZWJYIBQHKIAOK-LJQANCHMSA-N 1 1 314.473 4.223 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000610370710 1036915988 /nfs/dbraw/zinc/91/59/88/1036915988.db2.gz 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C[C@@H](NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645504 1037046086 /nfs/dbraw/zinc/04/60/86/1037046086.db2.gz HVWKUCLUFCTNBC-QZTJIDSGSA-N 1 1 321.468 4.119 20 30 DIEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)cn1 ZINC000579609012 1037101762 /nfs/dbraw/zinc/10/17/62/1037101762.db2.gz KXKZEEVRYSKYSM-INIZCTEOSA-N 1 1 319.330 4.045 20 30 DIEDMO COc1cc(C[N@H+](C)[C@@H](C)c2ccccc2Cl)ccc1C#N ZINC000319969992 1037265223 /nfs/dbraw/zinc/26/52/23/1037265223.db2.gz QWYHWHPLEIGYHV-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2Cl)ccc1C#N ZINC000319969992 1037265237 /nfs/dbraw/zinc/26/52/37/1037265237.db2.gz QWYHWHPLEIGYHV-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001167433964 1037293507 /nfs/dbraw/zinc/29/35/07/1037293507.db2.gz QBUNVPVNJAILAS-QAPCUYQASA-N 1 1 311.375 4.194 20 30 DIEDMO C=CCCCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000580874436 1037338727 /nfs/dbraw/zinc/33/87/27/1037338727.db2.gz 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C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598590618 1038129248 /nfs/dbraw/zinc/12/92/48/1038129248.db2.gz RTABSRRSMIPEDR-UKRRQHHQSA-N 1 1 320.864 4.166 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccccc1 ZINC000598587973 1038129465 /nfs/dbraw/zinc/12/94/65/1038129465.db2.gz YFEZAHHMGSBEQD-FUHWJXTLSA-N 1 1 302.462 4.150 20 30 DIEDMO CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](CC)c1ccccc1 ZINC000598587665 1038130004 /nfs/dbraw/zinc/13/00/04/1038130004.db2.gz USNLAQIUVKUUDD-MSOLQXFVSA-N 1 1 302.462 4.150 20 30 DIEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598589734 1038130064 /nfs/dbraw/zinc/13/00/64/1038130064.db2.gz KXTJVVPZVUGIOJ-LJQANCHMSA-N 1 1 322.452 4.086 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(Cl)c1 ZINC000598589628 1038130185 /nfs/dbraw/zinc/13/01/85/1038130185.db2.gz HIWQORMQBRBSAU-UHFFFAOYSA-N 1 1 313.832 4.265 20 30 DIEDMO N#Cc1ccc(C[N@H+](CC[C@H]2CCCC2(F)F)C2CC2)cc1 ZINC001168414324 1038200018 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CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599299665 1038266056 /nfs/dbraw/zinc/26/60/56/1038266056.db2.gz MIXKGGJPWZZCKV-CQSZACIVSA-N 1 1 313.470 4.387 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000276889673 1038267169 /nfs/dbraw/zinc/26/71/69/1038267169.db2.gz BRHQIXXAUSYLIE-RTWAWAEBSA-N 1 1 323.411 4.029 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000599303945 1038269335 /nfs/dbraw/zinc/26/93/35/1038269335.db2.gz IHEDNFVEHUIWHU-NHCUHLMSSA-N 1 1 315.420 4.138 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1C#N ZINC000599303945 1038269349 /nfs/dbraw/zinc/26/93/49/1038269349.db2.gz IHEDNFVEHUIWHU-NHCUHLMSSA-N 1 1 315.420 4.138 20 30 DIEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000599436856 1038285180 /nfs/dbraw/zinc/28/51/80/1038285180.db2.gz AVNZLKGWZOVQFB-MOPGFXCFSA-N 1 1 324.468 4.049 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(C(F)(F)F)cn1 ZINC000341834912 1038288189 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N#Cc1c(C[N@@H+](Cc2ccco2)C2CCCC2)cn2ccccc12 ZINC000603855397 1038303266 /nfs/dbraw/zinc/30/32/66/1038303266.db2.gz PNJHPDWWUIICDF-UHFFFAOYSA-N 1 1 319.408 4.349 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccc(C#N)cc3)cc2)C1 ZINC000603856037 1038303461 /nfs/dbraw/zinc/30/34/61/1038303461.db2.gz SUBMWXYHIMGEHG-KRWDZBQOSA-N 1 1 319.452 4.402 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000603855824 1038303531 /nfs/dbraw/zinc/30/35/31/1038303531.db2.gz VBFQIZPENCRGRS-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000603854744 1038303646 /nfs/dbraw/zinc/30/36/46/1038303646.db2.gz PLRUGFJMQJFGQJ-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cn2ccccc12 ZINC000603868398 1038308362 /nfs/dbraw/zinc/30/83/62/1038308362.db2.gz LDZNGJCZFCGAIR-IBGZPJMESA-N 1 1 319.383 4.287 20 30 DIEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cn2ccccc12 ZINC000603868398 1038308373 /nfs/dbraw/zinc/30/83/73/1038308373.db2.gz 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CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000610991714 1038419756 /nfs/dbraw/zinc/41/97/56/1038419756.db2.gz RXFIGCCBXUMSDT-UHFFFAOYSA-N 1 1 301.393 4.129 20 30 DIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991913 1038421112 /nfs/dbraw/zinc/42/11/12/1038421112.db2.gz WKBKDAQZFLWLQF-LLVKDONJSA-N 1 1 320.223 4.453 20 30 DIEDMO COCc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000610993667 1038421221 /nfs/dbraw/zinc/42/12/21/1038421221.db2.gz AEYZJVQLKRNEOY-RTWAWAEBSA-N 1 1 320.436 4.105 20 30 DIEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1cc2ccccc2o1 ZINC000610991895 1038421291 /nfs/dbraw/zinc/42/12/91/1038421291.db2.gz VQGQCLTVRBRSEO-CQSZACIVSA-N 1 1 305.381 4.283 20 30 DIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991911 1038421970 /nfs/dbraw/zinc/42/19/70/1038421970.db2.gz WGBSZCUFGKIVGL-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994419 1038426380 /nfs/dbraw/zinc/42/63/80/1038426380.db2.gz ZNQXXGNXBWIZJY-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994419 1038426382 /nfs/dbraw/zinc/42/63/82/1038426382.db2.gz ZNQXXGNXBWIZJY-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO C=CC[N@H+](CC)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000061800146 1038456057 /nfs/dbraw/zinc/45/60/57/1038456057.db2.gz DQEAKKUPEDCIAF-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO CC(=[NH+]Nc1ccc(Br)cc1C)c1ccc(N)cc1 ZINC000728433168 1038469642 /nfs/dbraw/zinc/46/96/42/1038469642.db2.gz VLOAAUHCJNADSU-UHFFFAOYSA-N 1 1 318.218 4.176 20 30 DIEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000926347171 1038510841 /nfs/dbraw/zinc/51/08/41/1038510841.db2.gz XJIUXALGLXDJGI-SECBINFHSA-N 1 1 317.742 4.098 20 30 DIEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000342284585 1038518209 /nfs/dbraw/zinc/51/82/09/1038518209.db2.gz RBRWSSANROEZOT-UHFFFAOYSA-N 1 1 315.505 4.064 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157101802 1038522425 /nfs/dbraw/zinc/52/24/25/1038522425.db2.gz QMSNFVQEHKLRRM-HNNXBMFYSA-N 1 1 306.837 4.125 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001167550538 1038590946 /nfs/dbraw/zinc/59/09/46/1038590946.db2.gz WEKQVUMQJPEKBE-LJQANCHMSA-N 1 1 312.457 4.233 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001167550538 1038590948 /nfs/dbraw/zinc/59/09/48/1038590948.db2.gz WEKQVUMQJPEKBE-LJQANCHMSA-N 1 1 312.457 4.233 20 30 DIEDMO CC(C)c1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594032668 1038625969 /nfs/dbraw/zinc/62/59/69/1038625969.db2.gz KVSCHQLSLKWZEC-UHFFFAOYSA-N 1 1 311.454 4.307 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000934462234 1038664062 /nfs/dbraw/zinc/66/40/62/1038664062.db2.gz PYWOFJUPVYEZEU-KRWDZBQOSA-N 1 1 312.388 4.047 20 30 DIEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000625979848 1038687504 /nfs/dbraw/zinc/68/75/04/1038687504.db2.gz HAHWMFCGGUBUSI-GFCCVEGCSA-N 1 1 317.301 4.177 20 30 DIEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000625979848 1038687510 /nfs/dbraw/zinc/68/75/10/1038687510.db2.gz HAHWMFCGGUBUSI-GFCCVEGCSA-N 1 1 317.301 4.177 20 30 DIEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(CC#N)cc1)CCC2 ZINC000342736720 1038751878 /nfs/dbraw/zinc/75/18/78/1038751878.db2.gz QLTWMEVFRJUARN-KRWDZBQOSA-N 1 1 311.454 4.027 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000534329293 1039026758 /nfs/dbraw/zinc/02/67/58/1039026758.db2.gz XTEBBPPTMOMSMP-CYBMUJFWSA-N 1 1 310.844 4.170 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001167640429 1039039969 /nfs/dbraw/zinc/03/99/69/1039039969.db2.gz ASHRQTVZFAVFRJ-SFHVURJKSA-N 1 1 316.489 4.099 20 30 DIEDMO COc1c(C)cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1C ZINC000442690070 1039122814 /nfs/dbraw/zinc/12/28/14/1039122814.db2.gz VDZWNEGFIUJWCD-MRXNPFEDSA-N 1 1 308.425 4.377 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000178791675 1039152692 /nfs/dbraw/zinc/15/26/92/1039152692.db2.gz LBSSLNVNJSHNLH-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO C=CCc1cc(C[N@@H+](Cc2ccco2)C(C)C)cc(OC)c1O ZINC000349836747 1039165107 /nfs/dbraw/zinc/16/51/07/1039165107.db2.gz BVRRITARGMSEFI-UHFFFAOYSA-N 1 1 315.413 4.133 20 30 DIEDMO N#CCCCCNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001168428231 1039222171 /nfs/dbraw/zinc/22/21/71/1039222171.db2.gz ZJUXTHYMWWZSET-UHFFFAOYSA-N 1 1 308.360 4.475 20 30 DIEDMO N#CCCCCNc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2 ZINC001168428824 1039240257 /nfs/dbraw/zinc/24/02/57/1039240257.db2.gz GLHJLDZNFCGLBV-UHFFFAOYSA-N 1 1 311.351 4.475 20 30 DIEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000098068921 1039297201 /nfs/dbraw/zinc/29/72/01/1039297201.db2.gz FPXVOKJAQSKISW-UHFFFAOYSA-N 1 1 322.452 4.114 20 30 DIEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000098068921 1039297213 /nfs/dbraw/zinc/29/72/13/1039297213.db2.gz FPXVOKJAQSKISW-UHFFFAOYSA-N 1 1 322.452 4.114 20 30 DIEDMO C=CCc1cc(C[N@H+](C)[C@H](C)CCSCC)cc(OC)c1O ZINC000539825933 1039351807 /nfs/dbraw/zinc/35/18/07/1039351807.db2.gz XYUOLHNPUFSXCB-CQSZACIVSA-N 1 1 323.502 4.093 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCc4ccccc43)C2)o1 ZINC000539825173 1039354263 /nfs/dbraw/zinc/35/42/63/1039354263.db2.gz NBOJKHMAPYVBDT-HXUWFJFHSA-N 1 1 306.409 4.021 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1c(Cl)ccc2cccnc21 ZINC000052580239 1039456377 /nfs/dbraw/zinc/45/63/77/1039456377.db2.gz JFYVRDVWTGYMFL-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(Cl)ccc2cccnc21 ZINC000052580239 1039456384 /nfs/dbraw/zinc/45/63/84/1039456384.db2.gz JFYVRDVWTGYMFL-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000157839600 1039474757 /nfs/dbraw/zinc/47/47/57/1039474757.db2.gz SUMPFLHVLFDXOJ-HNNXBMFYSA-N 1 1 313.470 4.291 20 30 DIEDMO C=CC[N@H+](Cc1cn(C)nc1-c1cccs1)Cc1ccccc1 ZINC000540507351 1039506425 /nfs/dbraw/zinc/50/64/25/1039506425.db2.gz MLYHPKFUMJUQTF-UHFFFAOYSA-N 1 1 323.465 4.337 20 30 DIEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000540665035 1039540548 /nfs/dbraw/zinc/54/05/48/1039540548.db2.gz FNEFNOHKTDFOFO-KRWDZBQOSA-N 1 1 310.445 4.040 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(OC(F)F)cc1 ZINC000179057907 1039624274 /nfs/dbraw/zinc/62/42/74/1039624274.db2.gz XRZBIEHCNKOAEM-LBPRGKRZSA-N 1 1 302.324 4.010 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000541282834 1039657391 /nfs/dbraw/zinc/65/73/91/1039657391.db2.gz OUKKHNGFFXGFIZ-CYBMUJFWSA-N 1 1 300.352 4.224 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000541282834 1039657400 /nfs/dbraw/zinc/65/74/00/1039657400.db2.gz OUKKHNGFFXGFIZ-CYBMUJFWSA-N 1 1 300.352 4.224 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1 ZINC000541282730 1039658210 /nfs/dbraw/zinc/65/82/10/1039658210.db2.gz RSTSTQQKEZJQNX-OAQYLSRUSA-N 1 1 304.437 4.350 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000135246240 1039666131 /nfs/dbraw/zinc/66/61/31/1039666131.db2.gz RINIHPUKKBHHPD-GOSISDBHSA-N 1 1 313.470 4.359 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000318234338 1039726317 /nfs/dbraw/zinc/72/63/17/1039726317.db2.gz FOOSLSFOFXEGHJ-MRXNPFEDSA-N 1 1 302.462 4.278 20 30 DIEDMO C=CC[N@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000541764967 1039739792 /nfs/dbraw/zinc/73/97/92/1039739792.db2.gz OAIMMVDVKUPQMI-UHFFFAOYSA-N 1 1 321.346 4.042 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000542104312 1039791881 /nfs/dbraw/zinc/79/18/81/1039791881.db2.gz POXLHASYLZYCBQ-RTBURBONSA-N 1 1 310.466 4.452 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000542104210 1039792503 /nfs/dbraw/zinc/79/25/03/1039792503.db2.gz POXLHASYLZYCBQ-OALUTQOASA-N 1 1 310.466 4.452 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000090172343 1039803743 /nfs/dbraw/zinc/80/37/43/1039803743.db2.gz YLPWDZTUPWKQAL-CYBMUJFWSA-N 1 1 306.793 4.189 20 30 DIEDMO CCC[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000179095584 1039832254 /nfs/dbraw/zinc/83/22/54/1039832254.db2.gz LHWMKHLHMRDJOD-SFHVURJKSA-N 1 1 300.352 4.467 20 30 DIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152232 1039873069 /nfs/dbraw/zinc/87/30/69/1039873069.db2.gz KNRLOFUIYRAUQV-IFXJQAMLSA-N 1 1 306.409 4.439 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000030224082 1039874739 /nfs/dbraw/zinc/87/47/39/1039874739.db2.gz AAIZAZPSZHZVTN-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000030224082 1039874766 /nfs/dbraw/zinc/87/47/66/1039874766.db2.gz AAIZAZPSZHZVTN-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)c2cccnc12 ZINC000491875572 1039888537 /nfs/dbraw/zinc/88/85/37/1039888537.db2.gz KOBAPUJMGSXQNY-UHFFFAOYSA-N 1 1 319.246 4.395 20 30 DIEDMO C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(C#N)c(F)c1 ZINC000271916540 1039893583 /nfs/dbraw/zinc/89/35/83/1039893583.db2.gz CIWTZKVVWJQUCQ-NSHDSACASA-N 1 1 317.433 4.302 20 30 DIEDMO CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000271924288 1039901760 /nfs/dbraw/zinc/90/17/60/1039901760.db2.gz GAJAEWQHTWFZAE-GFCCVEGCSA-N 1 1 315.392 4.440 20 30 DIEDMO Cc1cc(CNc2cccc(CC[N@H+](C)C3CC3)c2)ccc1C#N ZINC000443987213 1039998634 /nfs/dbraw/zinc/99/86/34/1039998634.db2.gz KINIZYGDUQHHQN-UHFFFAOYSA-N 1 1 319.452 4.116 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000480579968 1040112446 /nfs/dbraw/zinc/11/24/46/1040112446.db2.gz QGEKHZAXUKURDQ-HZPDHXFCSA-N 1 1 306.862 4.072 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000480579968 1040112453 /nfs/dbraw/zinc/11/24/53/1040112453.db2.gz QGEKHZAXUKURDQ-HZPDHXFCSA-N 1 1 306.862 4.072 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(Cl)ccc2OCC)CC1 ZINC000177907597 1040144372 /nfs/dbraw/zinc/14/43/72/1040144372.db2.gz BNWDOKIVCASPFN-CQSZACIVSA-N 1 1 322.880 4.040 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccco1 ZINC000658105523 1040315335 /nfs/dbraw/zinc/31/53/35/1040315335.db2.gz JOYVQGLPDZLYFA-KRWDZBQOSA-N 1 1 311.429 4.072 20 30 DIEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158743 1040458244 /nfs/dbraw/zinc/45/82/44/1040458244.db2.gz PFLKYFPNBCPPAK-IUODEOHRSA-N 1 1 312.335 4.272 20 30 DIEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158743 1040458253 /nfs/dbraw/zinc/45/82/53/1040458253.db2.gz PFLKYFPNBCPPAK-IUODEOHRSA-N 1 1 312.335 4.272 20 30 DIEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158725 1040459137 /nfs/dbraw/zinc/45/91/37/1040459137.db2.gz PFLKYFPNBCPPAK-DOMZBBRYSA-N 1 1 312.335 4.272 20 30 DIEDMO C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158725 1040459146 /nfs/dbraw/zinc/45/91/46/1040459146.db2.gz PFLKYFPNBCPPAK-DOMZBBRYSA-N 1 1 312.335 4.272 20 30 DIEDMO CC[N@@H+](Cc1cnc2ccc(C)cn12)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464712 1040464992 /nfs/dbraw/zinc/46/49/92/1040464992.db2.gz JVXCMNPSLUHKES-INIZCTEOSA-N 1 1 318.424 4.098 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCc3cn(C4CCCC4)nc32)c1 ZINC000364738260 1040559604 /nfs/dbraw/zinc/55/96/04/1040559604.db2.gz HZZYPNBKAOVFMW-LJQANCHMSA-N 1 1 320.440 4.037 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000612588183 1040649960 /nfs/dbraw/zinc/64/99/60/1040649960.db2.gz RKUFSDPEMLYZRD-UHFFFAOYSA-N 1 1 304.340 4.081 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc3[nH]ccc32)C2CC2)cc1 ZINC000180031055 1040706255 /nfs/dbraw/zinc/70/62/55/1040706255.db2.gz GHVQLOPTGWDUCG-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000580502403 1040816617 /nfs/dbraw/zinc/81/66/17/1040816617.db2.gz UBULGFZSLHKHSZ-KRWDZBQOSA-N 1 1 322.452 4.471 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)Cc1ccccc1 ZINC000174724257 1041003614 /nfs/dbraw/zinc/00/36/14/1041003614.db2.gz HGDIWDLUROISMA-UHFFFAOYSA-N 1 1 308.425 4.012 20 30 DIEDMO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1ccc(C#N)cc1F ZINC000414227541 1041024042 /nfs/dbraw/zinc/02/40/42/1041024042.db2.gz KUIYXTXNGQPPRR-ZDUSSCGKSA-N 1 1 311.404 4.241 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO[C@H]2c2ccccc2)cc1 ZINC000809559308 1041191377 /nfs/dbraw/zinc/19/13/77/1041191377.db2.gz MPRKICAKGNVPED-VXKWHMMOSA-N 1 1 319.448 4.268 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000809594485 1041196926 /nfs/dbraw/zinc/19/69/26/1041196926.db2.gz XNXXDDWIKJFEJH-VQTJNVASSA-N 1 1 323.436 4.129 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](CC)c2ccncc2)cc1 ZINC000809765096 1041250214 /nfs/dbraw/zinc/25/02/14/1041250214.db2.gz KXHDYXYSEOOOED-FQEVSTJZSA-N 1 1 308.425 4.067 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000189347025 1041305610 /nfs/dbraw/zinc/30/56/10/1041305610.db2.gz VTCQCVULDURXGL-ZDUSSCGKSA-N 1 1 316.351 4.353 20 30 DIEDMO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000810148702 1041323885 /nfs/dbraw/zinc/32/38/85/1041323885.db2.gz XNIMOMDGLUIVLN-CQSZACIVSA-N 1 1 305.834 4.299 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000128324728 1041406408 /nfs/dbraw/zinc/40/64/08/1041406408.db2.gz AYHSMYJJVMMQLO-SFHVURJKSA-N 1 1 311.454 4.023 20 30 DIEDMO CCCCCCCCC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001132622670 1041483826 /nfs/dbraw/zinc/48/38/26/1041483826.db2.gz OYQFHZHMBNALTC-SFHVURJKSA-N 1 1 302.462 4.040 20 30 DIEDMO CCCCCCCCC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001132622670 1041483834 /nfs/dbraw/zinc/48/38/34/1041483834.db2.gz OYQFHZHMBNALTC-SFHVURJKSA-N 1 1 302.462 4.040 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000811481747 1041521396 /nfs/dbraw/zinc/52/13/96/1041521396.db2.gz LSPIHNPKQWQRRW-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(Cl)cc1 ZINC000811516577 1041529894 /nfs/dbraw/zinc/52/98/94/1041529894.db2.gz PYOFORKFPWNZJJ-SFHVURJKSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1ccc(Cl)cc1 ZINC000811517496 1041530564 /nfs/dbraw/zinc/53/05/64/1041530564.db2.gz UMWPVOHYROXHJJ-KRWDZBQOSA-N 1 1 316.807 4.009 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccnc2ccccc12)c1ccc(Cl)cc1 ZINC000811516576 1041530896 /nfs/dbraw/zinc/53/08/96/1041530896.db2.gz PYOFORKFPWNZJJ-GOSISDBHSA-N 1 1 306.796 4.352 20 30 DIEDMO CC[N@@H+](Cc1cn2cc(C)ccc2n1)[C@H](C)c1ccc(C#N)cc1 ZINC000120249463 1041560898 /nfs/dbraw/zinc/56/08/98/1041560898.db2.gz BWXNIMXRMJQODT-MRXNPFEDSA-N 1 1 318.424 4.098 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1C(F)(F)F ZINC000190192213 1041580818 /nfs/dbraw/zinc/58/08/18/1041580818.db2.gz WQDSHKKKISXJDH-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1C(F)(F)F ZINC000190192213 1041580825 /nfs/dbraw/zinc/58/08/25/1041580825.db2.gz WQDSHKKKISXJDH-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001170650699 1041583083 /nfs/dbraw/zinc/58/30/83/1041583083.db2.gz PPZNYIPKZOQUME-CLCXKQKWSA-N 1 1 308.400 4.464 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)o2)c(F)c1 ZINC000105642766 1041608756 /nfs/dbraw/zinc/60/87/56/1041608756.db2.gz WEZXRSBBAAVJQC-UHFFFAOYSA-N 1 1 306.340 4.247 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccccc1C(F)(F)F)c1ccc(F)cc1 ZINC000812792555 1041645739 /nfs/dbraw/zinc/64/57/39/1041645739.db2.gz DGMFDLPAIWCMGE-MRXNPFEDSA-N 1 1 307.290 4.309 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2nc(C)sc2c1)c1ccc(F)cc1 ZINC000812794948 1041652205 /nfs/dbraw/zinc/65/22/05/1041652205.db2.gz JMCPMZBKRDQUPU-MRXNPFEDSA-N 1 1 310.397 4.208 20 30 DIEDMO C=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000397998014 1041747431 /nfs/dbraw/zinc/74/74/31/1041747431.db2.gz UJXJUUJYMDHMGL-DENIHFKCSA-N 1 1 320.480 4.200 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624236 1041750834 /nfs/dbraw/zinc/75/08/34/1041750834.db2.gz PNLOWVJCETUCBY-CZUORRHYSA-N 1 1 308.347 4.342 20 30 DIEDMO COc1ccc(Cl)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000747928643 1041800235 /nfs/dbraw/zinc/80/02/35/1041800235.db2.gz IWWAMHQUQCIWSG-QGZVFWFLSA-N 1 1 314.816 4.483 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@H](Nc3ccccc3)C2)CCC1 ZINC001167765562 1041815412 /nfs/dbraw/zinc/81/54/12/1041815412.db2.gz GAPMHZWNDWHZKD-IBGZPJMESA-N 1 1 311.473 4.427 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1cccc2ccccc21 ZINC000815086862 1041913663 /nfs/dbraw/zinc/91/36/63/1041913663.db2.gz WKELJMQDCZYLTF-NRFANRHFSA-N 1 1 321.420 4.197 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000815199926 1041929363 /nfs/dbraw/zinc/92/93/63/1041929363.db2.gz FFMCQNITECEOEI-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000661378217 1041929306 /nfs/dbraw/zinc/92/93/06/1041929306.db2.gz AMJHEVDNQFONEJ-MRXNPFEDSA-N 1 1 314.473 4.038 20 30 DIEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000661379871 1041929341 /nfs/dbraw/zinc/92/93/41/1041929341.db2.gz BSXPSHHFQBFPKT-INIZCTEOSA-N 1 1 309.413 4.057 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3Cl)o2)C1 ZINC000661379083 1041929928 /nfs/dbraw/zinc/92/99/28/1041929928.db2.gz SGFRMOTUCMASNF-ZDUSSCGKSA-N 1 1 317.820 4.178 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)(C)C ZINC000661755629 1041990723 /nfs/dbraw/zinc/99/07/23/1041990723.db2.gz WHSPQIVCSARKIO-UHFFFAOYSA-N 1 1 314.473 4.099 20 30 DIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC000596982900 1041998041 /nfs/dbraw/zinc/99/80/41/1041998041.db2.gz MPYQQBBMZDQDEO-HXUWFJFHSA-N 1 1 302.421 4.361 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456841 1042055053 /nfs/dbraw/zinc/05/50/53/1042055053.db2.gz OVUCRJAGOGRILP-JENIJYKNSA-N 1 1 315.457 4.043 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000816456842 1042055085 /nfs/dbraw/zinc/05/50/85/1042055085.db2.gz OVUCRJAGOGRILP-LNLFQRSKSA-N 1 1 315.457 4.043 20 30 DIEDMO COCc1ccccc1/C=C(\C)C[N@@H+](CCC#N)CC(C)C ZINC000816481187 1042056215 /nfs/dbraw/zinc/05/62/15/1042056215.db2.gz LWEIOAOZQLCIAB-SFQUDFHCSA-N 1 1 300.446 4.108 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081899 1042056918 /nfs/dbraw/zinc/05/69/18/1042056918.db2.gz STSNLVKMBHSATJ-YESZJQIVSA-N 1 1 312.457 4.320 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000662079439 1042057182 /nfs/dbraw/zinc/05/71/82/1042057182.db2.gz GFNZXNOWJFXLRT-BHYGNILZSA-N 1 1 309.413 4.289 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(OC)cc2)n1 ZINC000662081674 1042057768 /nfs/dbraw/zinc/05/77/68/1042057768.db2.gz QTSZYKYMFIFJRY-CALCHBBNSA-N 1 1 310.397 4.033 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662086000 1042059153 /nfs/dbraw/zinc/05/91/53/1042059153.db2.gz NMXQZUDYZRQCTN-SOUVJXGZSA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000662086000 1042059161 /nfs/dbraw/zinc/05/91/61/1042059161.db2.gz NMXQZUDYZRQCTN-SOUVJXGZSA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2ccc(OC)cc2)no1 ZINC000662083031 1042059188 /nfs/dbraw/zinc/05/91/88/1042059188.db2.gz ZHEMDXCFGXPZQU-IYBDPMFKSA-N 1 1 310.397 4.033 20 30 DIEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccsc1 ZINC000817287257 1042100507 /nfs/dbraw/zinc/10/05/07/1042100507.db2.gz LUKYDKWHQQKMEP-RDTXWAMCSA-N 1 1 314.454 4.125 20 30 DIEDMO CC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(C#N)cc1 ZINC000278863238 1042108734 /nfs/dbraw/zinc/10/87/34/1042108734.db2.gz WMLZDXAWOXNSJT-FQEVSTJZSA-N 1 1 311.473 4.006 20 30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@@H](CC)c2ccc(C#N)cc2)o1 ZINC000278871425 1042144885 /nfs/dbraw/zinc/14/48/85/1042144885.db2.gz WZTGVTHOATVFIH-ROUUACIJSA-N 1 1 312.413 4.142 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000568997822 1042201912 /nfs/dbraw/zinc/20/19/12/1042201912.db2.gz ZDVSSFPNYMBIEI-MRXNPFEDSA-N 1 1 305.425 4.459 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](Cc2ccccc2C)c2ccco2)CC1 ZINC000820809412 1042229064 /nfs/dbraw/zinc/22/90/64/1042229064.db2.gz ACEAFVXFZGTTLB-HXUWFJFHSA-N 1 1 324.468 4.112 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173815 1042244271 /nfs/dbraw/zinc/24/42/71/1042244271.db2.gz PIDCREFGVMULIR-KDOFPFPSSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173815 1042244275 /nfs/dbraw/zinc/24/42/75/1042244275.db2.gz PIDCREFGVMULIR-KDOFPFPSSA-N 1 1 309.413 4.082 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822659122 1042295696 /nfs/dbraw/zinc/29/56/96/1042295696.db2.gz LQIVPYWYXAAHQD-XHSDSOJGSA-N 1 1 323.267 4.342 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC000822659122 1042295704 /nfs/dbraw/zinc/29/57/04/1042295704.db2.gz LQIVPYWYXAAHQD-XHSDSOJGSA-N 1 1 323.267 4.342 20 30 DIEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc2ccccc2c1 ZINC000015306349 1042363788 /nfs/dbraw/zinc/36/37/88/1042363788.db2.gz SOGRHYNUJMSWCM-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(F)c(F)c1 ZINC000279945874 1042386431 /nfs/dbraw/zinc/38/64/31/1042386431.db2.gz ONFFMIASYSTZSM-QGZVFWFLSA-N 1 1 305.372 4.149 20 30 DIEDMO C/C(=C/c1ccccc1)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000573645145 1042411742 /nfs/dbraw/zinc/41/17/42/1042411742.db2.gz DBBMNRRYRGFCQQ-JXAWBTAJSA-N 1 1 320.436 4.110 20 30 DIEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000614160736 1042417921 /nfs/dbraw/zinc/41/79/21/1042417921.db2.gz YENGJPYDOZSARC-UHFFFAOYSA-N 1 1 320.436 4.055 20 30 DIEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167543 1042419773 /nfs/dbraw/zinc/41/97/73/1042419773.db2.gz WIPWGKNWMGUDJF-LJQANCHMSA-N 1 1 314.473 4.269 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000614171080 1042420350 /nfs/dbraw/zinc/42/03/50/1042420350.db2.gz DKMFLPMIKRWRJG-MSOLQXFVSA-N 1 1 314.498 4.348 20 30 DIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173968 1042421791 /nfs/dbraw/zinc/42/17/91/1042421791.db2.gz DEEFQNUHRILQIY-OAHLLOKOSA-N 1 1 308.425 4.386 20 30 DIEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176995 1042422751 /nfs/dbraw/zinc/42/27/51/1042422751.db2.gz GROIOVSGCIIWSY-UHFFFAOYSA-N 1 1 313.470 4.009 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399418 1042443651 /nfs/dbraw/zinc/44/36/51/1042443651.db2.gz LGWXNCPJRQLBBE-WDEREUQCSA-N 1 1 317.380 4.034 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000411399416 1042443162 /nfs/dbraw/zinc/44/31/62/1042443162.db2.gz LGWXNCPJRQLBBE-QWRGUYRKSA-N 1 1 317.380 4.034 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000411482073 1042452449 /nfs/dbraw/zinc/45/24/49/1042452449.db2.gz CAZPLNKPGIOGQW-OAHLLOKOSA-N 1 1 323.396 4.121 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000411482073 1042452453 /nfs/dbraw/zinc/45/24/53/1042452453.db2.gz CAZPLNKPGIOGQW-OAHLLOKOSA-N 1 1 323.396 4.121 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2C)c1 ZINC000614397612 1042489885 /nfs/dbraw/zinc/48/98/85/1042489885.db2.gz JDMBDJRNEUEFBW-HXUWFJFHSA-N 1 1 320.436 4.082 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000614403306 1042491625 /nfs/dbraw/zinc/49/16/25/1042491625.db2.gz QMRWMUXYXSXENM-UHFFFAOYSA-N 1 1 308.425 4.286 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000749801579 1042520393 /nfs/dbraw/zinc/52/03/93/1042520393.db2.gz GWRADFOCFKOECG-MRXNPFEDSA-N 1 1 324.424 4.116 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3cc(Cl)ccc3F)CC2)c1 ZINC000513524196 1042549964 /nfs/dbraw/zinc/54/99/64/1042549964.db2.gz FGURHEFIMOQNPS-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO COc1cc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000614493858 1042563598 /nfs/dbraw/zinc/56/35/98/1042563598.db2.gz ZYJWNLGQEQPUCX-INIZCTEOSA-N 1 1 308.425 4.377 20 30 DIEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000421007535 1042619759 /nfs/dbraw/zinc/61/97/59/1042619759.db2.gz HNRFRMRTTUOFNT-HZPDHXFCSA-N 1 1 322.493 4.006 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424312187 1042733366 /nfs/dbraw/zinc/73/33/66/1042733366.db2.gz LZPNAQYKHKJFDO-CQSZACIVSA-N 1 1 322.880 4.040 20 30 DIEDMO C=C(C)C(C)(C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000424750320 1042750971 /nfs/dbraw/zinc/75/09/71/1042750971.db2.gz FYFVMYAPEKWCGP-UHFFFAOYSA-N 1 1 322.537 4.195 20 30 DIEDMO CO[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513969739 1042765728 /nfs/dbraw/zinc/76/57/28/1042765728.db2.gz CAILUXGAFVORNA-GOSISDBHSA-N 1 1 314.816 4.031 20 30 DIEDMO CO[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513969873 1042765994 /nfs/dbraw/zinc/76/59/94/1042765994.db2.gz FPNWROPYCINTQG-SFHVURJKSA-N 1 1 314.816 4.031 20 30 DIEDMO CCOc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1OC ZINC000425363264 1042796619 /nfs/dbraw/zinc/79/66/19/1042796619.db2.gz BDPYCSULUSCSPW-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO C=CC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001269961082 1042802165 /nfs/dbraw/zinc/80/21/65/1042802165.db2.gz UENWJGWMLQFOKR-YRXWBPOGSA-N 1 1 320.521 4.090 20 30 DIEDMO Cc1ccc([C@H](C)[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000515137908 1042810461 /nfs/dbraw/zinc/81/04/61/1042810461.db2.gz JMQYEDWTRLJRKF-INIZCTEOSA-N 1 1 303.409 4.312 20 30 DIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000515137908 1042810469 /nfs/dbraw/zinc/81/04/69/1042810469.db2.gz JMQYEDWTRLJRKF-INIZCTEOSA-N 1 1 303.409 4.312 20 30 DIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000515511859 1042823223 /nfs/dbraw/zinc/82/32/23/1042823223.db2.gz XZKCSQLMKBDVDU-SFHVURJKSA-N 1 1 312.363 4.044 20 30 DIEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC000515540450 1042825072 /nfs/dbraw/zinc/82/50/72/1042825072.db2.gz VVVDHAQZIJJUNY-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO C=C(C)C[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000516859936 1042857631 /nfs/dbraw/zinc/85/76/31/1042857631.db2.gz RWYLGDZHYBDJHH-UHFFFAOYSA-N 1 1 304.846 4.398 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)nc1 ZINC000517244087 1042873025 /nfs/dbraw/zinc/87/30/25/1042873025.db2.gz BUUDSWMNFZVPHW-LJQANCHMSA-N 1 1 303.409 4.071 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)nc1 ZINC000517244087 1042873028 /nfs/dbraw/zinc/87/30/28/1042873028.db2.gz BUUDSWMNFZVPHW-LJQANCHMSA-N 1 1 303.409 4.071 20 30 DIEDMO C=CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000517597668 1042888859 /nfs/dbraw/zinc/88/88/59/1042888859.db2.gz SRNHLWBLOYFJTD-UHFFFAOYSA-N 1 1 301.409 4.046 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](C)c1ccc(F)cc1 ZINC000517624682 1042889230 /nfs/dbraw/zinc/88/92/30/1042889230.db2.gz NUJFRKULXVHXBZ-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000519243836 1042940299 /nfs/dbraw/zinc/94/02/99/1042940299.db2.gz KVOORYVJXNFMSS-NVXWUHKLSA-N 1 1 303.446 4.142 20 30 DIEDMO 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CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476514 1043165395 /nfs/dbraw/zinc/16/53/95/1043165395.db2.gz KAQKZDHPGKBDLN-WMLDXEAASA-N 1 1 324.428 4.009 20 30 DIEDMO C[N@@H+](CCC1CCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441555682 1043215802 /nfs/dbraw/zinc/21/58/02/1043215802.db2.gz YQLSFBTYTMHPLE-UHFFFAOYSA-N 1 1 324.428 4.010 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccccc2F)C2CCCC2)nc1 ZINC000574766865 1043243864 /nfs/dbraw/zinc/24/38/64/1043243864.db2.gz UPBZMUOWMQIOGN-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000121771731 1043261114 /nfs/dbraw/zinc/26/11/14/1043261114.db2.gz TUWFWZLFIGXHKA-RBUKOAKNSA-N 1 1 324.424 4.020 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000121772209 1043261202 /nfs/dbraw/zinc/26/12/02/1043261202.db2.gz TUWFWZLFIGXHKA-MOPGFXCFSA-N 1 1 324.424 4.020 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268399511 1043319682 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C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1OC ZINC000348881480 1043478145 /nfs/dbraw/zinc/47/81/45/1043478145.db2.gz XCUMZBPGBLFQKP-UHFFFAOYSA-N 1 1 313.445 4.051 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccccc1OC ZINC000348881480 1043478151 /nfs/dbraw/zinc/47/81/51/1043478151.db2.gz XCUMZBPGBLFQKP-UHFFFAOYSA-N 1 1 313.445 4.051 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000348935953 1043483690 /nfs/dbraw/zinc/48/36/90/1043483690.db2.gz RFNLSSOPCUPHRJ-HXUWFJFHSA-N 1 1 321.424 4.101 20 30 DIEDMO C#CC[N@H+](Cc1c[nH]c2c1cccc2F)[C@@H]1CCc2ccccc21 ZINC001137057566 1043485607 /nfs/dbraw/zinc/48/56/07/1043485607.db2.gz HSCARTGIVNDREF-HXUWFJFHSA-N 1 1 318.395 4.430 20 30 DIEDMO CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000521823408 1043487447 /nfs/dbraw/zinc/48/74/47/1043487447.db2.gz UDMPTWOMKKELME-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c(Cl)c1 ZINC000872280258 1043489605 /nfs/dbraw/zinc/48/96/05/1043489605.db2.gz 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314.477 4.042 20 30 DIEDMO COCC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000358457468 1044072987 /nfs/dbraw/zinc/07/29/87/1044072987.db2.gz ZBSGQOIPMYQQDM-GUYCJALGSA-N 1 1 316.376 4.027 20 30 DIEDMO CC(C)[N@@H+](CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000475048475 1044079280 /nfs/dbraw/zinc/07/92/80/1044079280.db2.gz PCMIHZRYMSOAAH-UHFFFAOYSA-N 1 1 302.462 4.364 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000562202110 1044083110 /nfs/dbraw/zinc/08/31/10/1044083110.db2.gz KDBQIJFXTMGFKW-VXGBXAGGSA-N 1 1 319.861 4.292 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000358569966 1044084317 /nfs/dbraw/zinc/08/43/17/1044084317.db2.gz MWFMYLMQGJXVEY-APPDUMDISA-N 1 1 314.335 4.011 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cn(C(C)C)nc1C)c1ccc(F)c(F)c1 ZINC000281151828 1044100828 /nfs/dbraw/zinc/10/08/28/1044100828.db2.gz BCDGZBLROMTMMD-GOSISDBHSA-N 1 1 319.399 4.458 20 30 DIEDMO CC(C)c1noc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614432 1044202770 /nfs/dbraw/zinc/20/27/70/1044202770.db2.gz PIFDDFGMYWSOKX-CQSZACIVSA-N 1 1 324.428 4.005 20 30 DIEDMO CC(C)(C)c1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)co1 ZINC000933611413 1044204208 /nfs/dbraw/zinc/20/42/08/1044204208.db2.gz PHIJDQLTOZMLOE-UHFFFAOYSA-N 1 1 323.440 4.223 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714545 1044207420 /nfs/dbraw/zinc/20/74/20/1044207420.db2.gz JAGWGXJBXNAOKB-CYBMUJFWSA-N 1 1 313.367 4.031 20 30 DIEDMO COc1ccc(C2CC2)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000883266392 1044255510 /nfs/dbraw/zinc/25/55/10/1044255510.db2.gz ZGHCLTKRDHKHNF-ZDUSSCGKSA-N 1 1 324.399 4.434 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1cc(COC)on1)c1ccccc1 ZINC000883325126 1044273467 /nfs/dbraw/zinc/27/34/67/1044273467.db2.gz PDPYYTBVOJXOLU-GOSISDBHSA-N 1 1 300.402 4.008 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(C(F)(F)F)c1O ZINC000840787754 1044285795 /nfs/dbraw/zinc/28/57/95/1044285795.db2.gz PHLAWSBXDILMKG-SNVBAGLBSA-N 1 1 300.324 4.001 20 30 DIEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@H]1F)c1ccc(C#N)c(F)c1 ZINC000883377067 1044289540 /nfs/dbraw/zinc/28/95/40/1044289540.db2.gz YUDWTUWWFCYHJQ-OEPMTFCVSA-N 1 1 312.363 4.374 20 30 DIEDMO C[C@H]([NH2+][C@@H]1c2ccccc2CC[C@@H]1F)c1ccc(C#N)c(F)c1 ZINC000883377068 1044290809 /nfs/dbraw/zinc/29/08/09/1044290809.db2.gz YUDWTUWWFCYHJQ-OYYNGEPBSA-N 1 1 312.363 4.374 20 30 DIEDMO CCc1cnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360662184 1044296293 /nfs/dbraw/zinc/29/62/93/1044296293.db2.gz FJETVYHXXIPKNV-QGZVFWFLSA-N 1 1 311.454 4.134 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(=Cc3cccc(F)c3)CC2)s1 ZINC000563751447 1044310973 /nfs/dbraw/zinc/31/09/73/1044310973.db2.gz BTUHGBZIJPSYGS-UHFFFAOYSA-N 1 1 312.413 4.438 20 30 DIEDMO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000475288074 1044345628 /nfs/dbraw/zinc/34/56/28/1044345628.db2.gz QUARZUWJDDXTDG-UXHICEINSA-N 1 1 300.490 4.233 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000564144995 1044348734 /nfs/dbraw/zinc/34/87/34/1044348734.db2.gz YJLRSIHBHAGWMJ-FOIQADDNSA-N 1 1 308.400 4.475 20 30 DIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000361507925 1044412836 /nfs/dbraw/zinc/41/28/36/1044412836.db2.gz HECBCTGBEYJJDG-LBPRGKRZSA-N 1 1 321.346 4.109 20 30 DIEDMO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552273 1044417362 /nfs/dbraw/zinc/41/73/62/1044417362.db2.gz KJPFAMALMIQZIQ-RDTXWAMCSA-N 1 1 311.429 4.025 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1F ZINC000361689553 1044432026 /nfs/dbraw/zinc/43/20/26/1044432026.db2.gz NSRXMBSEQIWHNV-IBGZPJMESA-N 1 1 309.388 4.210 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1F ZINC000361689554 1044432285 /nfs/dbraw/zinc/43/22/85/1044432285.db2.gz NSRXMBSEQIWHNV-LJQANCHMSA-N 1 1 309.388 4.210 20 30 DIEDMO Cc1ccccc1Oc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000565673057 1044450592 /nfs/dbraw/zinc/45/05/92/1044450592.db2.gz CVAYQDGEDLKION-QGZVFWFLSA-N 1 1 319.408 4.320 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cn2ccccc2n1 ZINC000566474654 1044491929 /nfs/dbraw/zinc/49/19/29/1044491929.db2.gz HAJWRZNVSNELGO-WBVHZDCISA-N 1 1 304.397 4.030 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@H+](CCC#N)CC1CC1 ZINC000566650537 1044504964 /nfs/dbraw/zinc/50/49/64/1044504964.db2.gz VCLSCFMRLZICAB-KAMYIIQDSA-N 1 1 320.383 4.317 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](CCC#N)CC1CC1 ZINC000566650537 1044504978 /nfs/dbraw/zinc/50/49/78/1044504978.db2.gz VCLSCFMRLZICAB-KAMYIIQDSA-N 1 1 320.383 4.317 20 30 DIEDMO C/C(=C\c1ccccc1OC(F)F)C[N@H+](CCC#N)CC1CC1 ZINC000566650538 1044507104 /nfs/dbraw/zinc/50/71/04/1044507104.db2.gz VCLSCFMRLZICAB-SDNWHVSQSA-N 1 1 320.383 4.317 20 30 DIEDMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](CCC#N)CC1CC1 ZINC000566650538 1044507116 /nfs/dbraw/zinc/50/71/16/1044507116.db2.gz VCLSCFMRLZICAB-SDNWHVSQSA-N 1 1 320.383 4.317 20 30 DIEDMO C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@@H](c2ccco2)C1 ZINC000362450236 1044511420 /nfs/dbraw/zinc/51/14/20/1044511420.db2.gz JCNFTGGZABJVOM-DNVCBOLYSA-N 1 1 319.408 4.377 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H](c2ccco2)C1 ZINC000362450236 1044511437 /nfs/dbraw/zinc/51/14/37/1044511437.db2.gz JCNFTGGZABJVOM-DNVCBOLYSA-N 1 1 319.408 4.377 20 30 DIEDMO C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)[C@H](c2ccco2)C1 ZINC000362450232 1044512322 /nfs/dbraw/zinc/51/23/22/1044512322.db2.gz JCNFTGGZABJVOM-BEFAXECRSA-N 1 1 319.408 4.377 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](c2ccco2)C1 ZINC000362450232 1044512337 /nfs/dbraw/zinc/51/23/37/1044512337.db2.gz JCNFTGGZABJVOM-BEFAXECRSA-N 1 1 319.408 4.377 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567120986 1044544380 /nfs/dbraw/zinc/54/43/80/1044544380.db2.gz VNVXJWJVTRJBSH-VQTJNVASSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](C)CC(Cc1ccccc1)Cc1ccccc1 ZINC000567205587 1044551459 /nfs/dbraw/zinc/55/14/59/1044551459.db2.gz QMTBZJDTUQYORB-SFHVURJKSA-N 1 1 306.453 4.179 20 30 DIEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000348332747 1044553559 /nfs/dbraw/zinc/55/35/59/1044553559.db2.gz VXLVCXGHOXAFNA-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)CCOc1ccc(Cl)cc1 ZINC000444599629 1044576917 /nfs/dbraw/zinc/57/69/17/1044576917.db2.gz UVYYTSUSYFFIDP-UHFFFAOYSA-N 1 1 308.853 4.371 20 30 DIEDMO CC(C)(C#N)CCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000444630400 1044579378 /nfs/dbraw/zinc/57/93/78/1044579378.db2.gz ZZNWEBHUBPUFEU-IBGZPJMESA-N 1 1 319.537 4.294 20 30 DIEDMO COc1cncc(/C=C\CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000567790202 1044584876 /nfs/dbraw/zinc/58/48/76/1044584876.db2.gz RTKSTOOIAIYZCW-OUOZUETKSA-N 1 1 321.424 4.058 20 30 DIEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCC[C@H]1C ZINC000444673705 1044598765 /nfs/dbraw/zinc/59/87/65/1044598765.db2.gz ITNKBLVSOPQTDN-PBHICJAKSA-N 1 1 324.428 4.009 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccccc2C#N)C(C)(C)C)cc1 ZINC000568321841 1044616482 /nfs/dbraw/zinc/61/64/82/1044616482.db2.gz CRKOMUVARFILCE-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000568418598 1044624263 /nfs/dbraw/zinc/62/42/63/1044624263.db2.gz YLHSEBOOCCGNBY-CYBMUJFWSA-N 1 1 321.355 4.203 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2nnc(-c3ccccc3)n2C)CCCC1(C)C ZINC000444776183 1044625496 /nfs/dbraw/zinc/62/54/96/1044625496.db2.gz BIAFOYVBSOMATP-QGZVFWFLSA-N 1 1 324.472 4.049 20 30 DIEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CCC1 ZINC000886241364 1044629300 /nfs/dbraw/zinc/62/93/00/1044629300.db2.gz WNKXDAYCXXAFNC-OALUTQOASA-N 1 1 324.468 4.049 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2c(C)cccc2C)CCCC1(C)C ZINC000444786384 1044630273 /nfs/dbraw/zinc/63/02/73/1044630273.db2.gz NUGSCLNFWIAVCM-QGZVFWFLSA-N 1 1 314.473 4.309 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCC/C=C\CC)CC2)C1=O ZINC001275844907 1044635172 /nfs/dbraw/zinc/63/51/72/1044635172.db2.gz WUASRMQAHWQALL-PRPIBZDOSA-N 1 1 318.505 4.014 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1C ZINC000568814072 1044652351 /nfs/dbraw/zinc/65/23/51/1044652351.db2.gz QCCHFZNJZIKGOK-UHFFFAOYSA-N 1 1 318.461 4.164 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1C ZINC000568814072 1044652357 /nfs/dbraw/zinc/65/23/57/1044652357.db2.gz QCCHFZNJZIKGOK-UHFFFAOYSA-N 1 1 318.461 4.164 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1ccccc1 ZINC000886542487 1044658605 /nfs/dbraw/zinc/65/86/05/1044658605.db2.gz AWMQWSOJRINYME-IEBWSBKVSA-N 1 1 312.457 4.170 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617742 1044670948 /nfs/dbraw/zinc/67/09/48/1044670948.db2.gz XHFAGBZPOABEMP-ZFWWWQNUSA-N 1 1 302.384 4.371 20 30 DIEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072513323 1044671839 /nfs/dbraw/zinc/67/18/39/1044671839.db2.gz ITDGEASMPILCKC-AWEZNQCLSA-N 1 1 317.483 4.080 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1c(O)cccc1F ZINC000886634831 1044672596 /nfs/dbraw/zinc/67/25/96/1044672596.db2.gz NTLMMAUVBAOAMR-CYBMUJFWSA-N 1 1 310.372 4.133 20 30 DIEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072513324 1044672856 /nfs/dbraw/zinc/67/28/56/1044672856.db2.gz ITDGEASMPILCKC-CQSZACIVSA-N 1 1 317.483 4.080 20 30 DIEDMO CSc1ccc(C[NH2+][C@@H](C)c2cccnc2Cl)cc1C#N ZINC000886687732 1044680785 /nfs/dbraw/zinc/68/07/85/1044680785.db2.gz DIEOFJPFRHJZHS-NSHDSACASA-N 1 1 317.845 4.179 20 30 DIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCCSCC#N)C2CC2)o1 ZINC000074980545 1044686530 /nfs/dbraw/zinc/68/65/30/1044686530.db2.gz POLSTYLQSLFLFO-CZUORRHYSA-N 1 1 304.459 4.014 20 30 DIEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCCSCC#N)C2CC2)o1 ZINC000074980546 1044687473 /nfs/dbraw/zinc/68/74/73/1044687473.db2.gz POLSTYLQSLFLFO-XJKSGUPXSA-N 1 1 304.459 4.014 20 30 DIEDMO C=CCCCC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000569307704 1044693348 /nfs/dbraw/zinc/69/33/48/1044693348.db2.gz OIHWNEYGZGRBQS-UHFFFAOYSA-N 1 1 317.473 4.157 20 30 DIEDMO C=CCC1(O)CC[NH+](Cc2nc(C3CCCCC3)cs2)CC1 ZINC000886778593 1044698719 /nfs/dbraw/zinc/69/87/19/1044698719.db2.gz JBYDKFMLXXXZQC-UHFFFAOYSA-N 1 1 320.502 4.094 20 30 DIEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C[C@@H]21 ZINC000569634801 1044700762 /nfs/dbraw/zinc/70/07/62/1044700762.db2.gz AEQSLZDJGRBARK-BGYRXZFFSA-N 1 1 302.421 4.313 20 30 DIEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCCCC(C)(C)C#N)C1 ZINC000365799358 1044703355 /nfs/dbraw/zinc/70/33/55/1044703355.db2.gz MFYJDGUBPMXCFY-MKXGPGLRSA-N 1 1 320.521 4.358 20 30 DIEDMO CC(C)Oc1cc(C[N@@H+](CCCC(C)(C)C#N)C2CC2)ccn1 ZINC000122373504 1044774208 /nfs/dbraw/zinc/77/42/08/1044774208.db2.gz BGJMJWYCIPUXJX-UHFFFAOYSA-N 1 1 315.461 4.163 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251911 1044779927 /nfs/dbraw/zinc/77/99/27/1044779927.db2.gz RUJWZDHSSCXHQP-PKOBYXMFSA-N 1 1 320.436 4.124 20 30 DIEDMO Cc1nsc(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000570813149 1044784216 /nfs/dbraw/zinc/78/42/16/1044784216.db2.gz MWAPELYQHWGGTK-FUHWJXTLSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nsc(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000570813149 1044784230 /nfs/dbraw/zinc/78/42/30/1044784230.db2.gz MWAPELYQHWGGTK-FUHWJXTLSA-N 1 1 311.454 4.032 20 30 DIEDMO N#CCCCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125305140 1044799546 /nfs/dbraw/zinc/79/95/46/1044799546.db2.gz UVHWAFFWSSLQPQ-UHFFFAOYSA-N 1 1 313.264 4.169 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000571274777 1044805689 /nfs/dbraw/zinc/80/56/89/1044805689.db2.gz AFBFKDMAYOMLAI-GFCCVEGCSA-N 1 1 317.355 4.058 20 30 DIEDMO C[C@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760859 1044829253 /nfs/dbraw/zinc/82/92/53/1044829253.db2.gz GPAHZIKVIIEPNV-CQSZACIVSA-N 1 1 318.342 4.145 20 30 DIEDMO C[C@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000127760859 1044829277 /nfs/dbraw/zinc/82/92/77/1044829277.db2.gz GPAHZIKVIIEPNV-CQSZACIVSA-N 1 1 318.342 4.145 20 30 DIEDMO CC1=C(C)C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000370526407 1044839221 /nfs/dbraw/zinc/83/92/21/1044839221.db2.gz DMRQZQZDQMQJNK-UHFFFAOYSA-N 1 1 320.440 4.006 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1cccc(OC)c1 ZINC000264073478 1044848414 /nfs/dbraw/zinc/84/84/14/1044848414.db2.gz BZVSFCMQLMNLFF-MRXNPFEDSA-N 1 1 324.424 4.181 20 30 DIEDMO C=CCCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445905185 1044849273 /nfs/dbraw/zinc/84/92/73/1044849273.db2.gz WWMXRRYQWWUHMX-AWEZNQCLSA-N 1 1 310.235 4.171 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1Cl ZINC000572921564 1044885502 /nfs/dbraw/zinc/88/55/02/1044885502.db2.gz PIQODDJJPPADRV-GOSISDBHSA-N 1 1 323.864 4.032 20 30 DIEDMO N#CCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000371867802 1044894468 /nfs/dbraw/zinc/89/44/68/1044894468.db2.gz KABQXDJFXAXOTI-MRXNPFEDSA-N 1 1 314.820 4.171 20 30 DIEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000371867802 1044894488 /nfs/dbraw/zinc/89/44/88/1044894488.db2.gz KABQXDJFXAXOTI-MRXNPFEDSA-N 1 1 314.820 4.171 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000283032864 1044998757 /nfs/dbraw/zinc/99/87/57/1044998757.db2.gz NHHJZJXAZIGMPJ-ZDUSSCGKSA-N 1 1 314.376 4.174 20 30 DIEDMO CC(C)[N@@H+](CCc1nccs1)CCC1(C#N)CCCCC1 ZINC000411401831 1045006891 /nfs/dbraw/zinc/00/68/91/1045006891.db2.gz NOFIRIFEUWLUAF-UHFFFAOYSA-N 1 1 305.491 4.260 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000411776932 1045027112 /nfs/dbraw/zinc/02/71/12/1045027112.db2.gz DBSNJHXIPUIUOV-ZFWWWQNUSA-N 1 1 321.262 4.006 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411866111 1045032815 /nfs/dbraw/zinc/03/28/15/1045032815.db2.gz GYOJQTYNHWXXPB-UHFFFAOYSA-N 1 1 314.498 4.349 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411875407 1045034428 /nfs/dbraw/zinc/03/44/28/1045034428.db2.gz MLPLEAXXUHQECI-UHFFFAOYSA-N 1 1 306.862 4.073 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411875407 1045034434 /nfs/dbraw/zinc/03/44/34/1045034434.db2.gz MLPLEAXXUHQECI-UHFFFAOYSA-N 1 1 306.862 4.073 20 30 DIEDMO N#CCC[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000576512207 1045062423 /nfs/dbraw/zinc/06/24/23/1045062423.db2.gz PWXKCUGGAUYMBZ-SFHVURJKSA-N 1 1 314.816 4.101 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000576790515 1045080123 /nfs/dbraw/zinc/08/01/23/1045080123.db2.gz XVVPVAOUKPCVRS-KDOFPFPSSA-N 1 1 310.397 4.133 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000890166008 1045103341 /nfs/dbraw/zinc/10/33/41/1045103341.db2.gz UQVXKVGAXRCWFU-RDJZCZTQSA-N 1 1 314.473 4.207 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cccc(F)c1C#N ZINC000428471976 1045108050 /nfs/dbraw/zinc/10/80/50/1045108050.db2.gz ZWYIIQCHBZXDEK-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428471976 1045108054 /nfs/dbraw/zinc/10/80/54/1045108054.db2.gz ZWYIIQCHBZXDEK-HXUWFJFHSA-N 1 1 324.399 4.215 20 30 DIEDMO CC[N@@H+](CCc1ccc2c(c1)CCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000441222085 1045108137 /nfs/dbraw/zinc/10/81/37/1045108137.db2.gz ASRLVOCNIZIAPI-INIZCTEOSA-N 1 1 320.436 4.119 20 30 DIEDMO CCCCCCC[C@H](C)[NH2+][C@H](CCSC)C(=O)OCC ZINC001258039472 1045118503 /nfs/dbraw/zinc/11/85/03/1045118503.db2.gz RAXTWMZNFQLWHG-LSDHHAIUSA-N 1 1 303.512 4.010 20 30 DIEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000447391507 1045126682 /nfs/dbraw/zinc/12/66/82/1045126682.db2.gz FXNZTMXFWIPBAA-FQEVSTJZSA-N 1 1 314.473 4.269 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258044276 1045159021 /nfs/dbraw/zinc/15/90/21/1045159021.db2.gz KUNSMSAMGGNMNE-QLFBSQMISA-N 1 1 309.416 4.371 20 30 DIEDMO Cc1cc(C)c(C[S@@](=O)CCC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000600935123 1045166926 /nfs/dbraw/zinc/16/69/26/1045166926.db2.gz HFLPCZNUWAORHQ-QFIPXVFZSA-N 1 1 318.486 4.120 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 ZINC000577932647 1045189636 /nfs/dbraw/zinc/18/96/36/1045189636.db2.gz LINDKRYHVVVDKW-IBGZPJMESA-N 1 1 308.429 4.111 20 30 DIEDMO C[C@@H](c1cccs1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000048334926 1045192296 /nfs/dbraw/zinc/19/22/96/1045192296.db2.gz RVWRQADPOPCNEQ-AWEZNQCLSA-N 1 1 300.427 4.082 20 30 DIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000578870415 1045278304 /nfs/dbraw/zinc/27/83/04/1045278304.db2.gz NGHDUWKUYPMHRG-UHFFFAOYSA-N 1 1 318.342 4.403 20 30 DIEDMO CC1(C#N)CCC([NH2+]CC2(N3CCCCC3)CCCCC2)CC1 ZINC000449058336 1045342218 /nfs/dbraw/zinc/34/22/18/1045342218.db2.gz IEDIJBRQUZWILA-UHFFFAOYSA-N 1 1 317.521 4.237 20 30 DIEDMO C=CCC[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449270286 1045369786 /nfs/dbraw/zinc/36/97/86/1045369786.db2.gz PYXPYVLIJYEQRN-UHFFFAOYSA-N 1 1 305.219 4.005 20 30 DIEDMO COc1cccc(C[C@@H]2CCCCC[N@H+]2CCCCC#N)c1 ZINC000528751026 1045410013 /nfs/dbraw/zinc/41/00/13/1045410013.db2.gz TZJPTBAQNNDORW-SFHVURJKSA-N 1 1 300.446 4.176 20 30 DIEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475658144 1045426076 /nfs/dbraw/zinc/42/60/76/1045426076.db2.gz CXHKHSILVZMTDS-IEBWSBKVSA-N 1 1 314.473 4.027 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(CC#N)c2)C1 ZINC000449692617 1045427302 /nfs/dbraw/zinc/42/73/02/1045427302.db2.gz BPTPKVMJAWERLG-UZLBHIALSA-N 1 1 305.425 4.000 20 30 DIEDMO C[C@@H](Nc1cccc(CC#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449695543 1045427570 /nfs/dbraw/zinc/42/75/70/1045427570.db2.gz IQSJMKBZZZVIPW-XLIONFOSSA-N 1 1 319.452 4.075 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc(C#N)cs3)C2)c1 ZINC000449752099 1045434791 /nfs/dbraw/zinc/43/47/91/1045434791.db2.gz AZKKXYXZQBVNDT-WKILWMFISA-N 1 1 312.438 4.006 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(C)=O)cc1 ZINC000450274613 1045480247 /nfs/dbraw/zinc/48/02/47/1045480247.db2.gz BOCKELGKKMAAHX-UHFFFAOYSA-N 1 1 309.409 4.086 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(C)=O)cc1 ZINC000450274613 1045480250 /nfs/dbraw/zinc/48/02/50/1045480250.db2.gz BOCKELGKKMAAHX-UHFFFAOYSA-N 1 1 309.409 4.086 20 30 DIEDMO N#CC1(CCCC[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)CCC1 ZINC001119863613 1045526743 /nfs/dbraw/zinc/52/67/43/1045526743.db2.gz INPPGBXVKMQCHZ-UHFFFAOYSA-N 1 1 310.441 4.104 20 30 DIEDMO N#CC1(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)CCC1 ZINC000450674481 1045546941 /nfs/dbraw/zinc/54/69/41/1045546941.db2.gz MYHGAHIAIYYTFA-GOSISDBHSA-N 1 1 324.399 4.229 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000796619436 1045549141 /nfs/dbraw/zinc/54/91/41/1045549141.db2.gz MZQGNKZLBJHBLU-JXFKEZNVSA-N 1 1 306.409 4.172 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000628405954 1045578420 /nfs/dbraw/zinc/57/84/20/1045578420.db2.gz YLNZGWWAZVSSAJ-KRWDZBQOSA-N 1 1 308.425 4.059 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC(F)(F)C1 ZINC000450984130 1045605640 /nfs/dbraw/zinc/60/56/40/1045605640.db2.gz UFOJVKOQWNTEQY-HNNXBMFYSA-N 1 1 311.420 4.278 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccc(F)c2)cc1 ZINC000751513252 1045608557 /nfs/dbraw/zinc/60/85/57/1045608557.db2.gz LFXBNGZFCWNKGQ-BJMVGYQFSA-N 1 1 306.340 4.216 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000751512332 1045609063 /nfs/dbraw/zinc/60/90/63/1045609063.db2.gz DAZZTHBKKCIRQT-NYYWCZLTSA-N 1 1 306.340 4.216 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(F)cc2F)cc1 ZINC000751518634 1045610945 /nfs/dbraw/zinc/61/09/45/1045610945.db2.gz XUMSEVXHCSMEMB-WEVVVXLNSA-N 1 1 324.330 4.355 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800459371 1045623076 /nfs/dbraw/zinc/62/30/76/1045623076.db2.gz MQKINGVESSIELI-QGZVFWFLSA-N 1 1 317.539 4.026 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cccc(C#N)c1F ZINC000451144735 1045633519 /nfs/dbraw/zinc/63/35/19/1045633519.db2.gz JJNOMRCLIUYEOI-WDMOLILDSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1cc(F)ccc1C#N ZINC000451150455 1045635827 /nfs/dbraw/zinc/63/58/27/1045635827.db2.gz WNRFVOLVRLPTBE-LOWVWBTDSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(F)ccc1C#N ZINC000451150455 1045635833 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COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)cc1 ZINC000191910912 1045765940 /nfs/dbraw/zinc/76/59/40/1045765940.db2.gz MRSZWXKQGIYHOI-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191888224 1045766407 /nfs/dbraw/zinc/76/64/07/1045766407.db2.gz YJFCAFIIURQPKT-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000753586881 1045769720 /nfs/dbraw/zinc/76/97/20/1045769720.db2.gz LLZAPGPOMJLFHK-HXUWFJFHSA-N 1 1 306.409 4.185 20 30 DIEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC(C)(C)C1 ZINC000452109002 1045774082 /nfs/dbraw/zinc/77/40/82/1045774082.db2.gz WWZDIKJKHRRKKA-UHFFFAOYSA-N 1 1 324.428 4.007 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1 ZINC000531209490 1045800346 /nfs/dbraw/zinc/80/03/46/1045800346.db2.gz NUVXPKHWASOQJK-RWAZQRMESA-N 1 1 302.421 4.472 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC000531209490 1045800366 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N#CCC[N@H+](Cc1ccc(Br)s1)C1CCCC1 ZINC001137645977 1045916463 /nfs/dbraw/zinc/91/64/63/1045916463.db2.gz SLCRLDWGPTZGAP-UHFFFAOYSA-N 1 1 313.264 4.169 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC000754720221 1045917818 /nfs/dbraw/zinc/91/78/18/1045917818.db2.gz MYGKFYSURYHYCH-SFHVURJKSA-N 1 1 323.436 4.119 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)cc(C)c1O ZINC000754727022 1045921309 /nfs/dbraw/zinc/92/13/09/1045921309.db2.gz GHHCBFUNYWQRDJ-UHFFFAOYSA-N 1 1 308.425 4.293 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001137707972 1045941586 /nfs/dbraw/zinc/94/15/86/1045941586.db2.gz CBFOMQWRZWUKIW-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c[nH]c3ccc(Cl)cc13)C2 ZINC001137707972 1045941597 /nfs/dbraw/zinc/94/15/97/1045941597.db2.gz CBFOMQWRZWUKIW-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)Cc1ccc(C#N)cc1 ZINC001137713179 1045943289 /nfs/dbraw/zinc/94/32/89/1045943289.db2.gz ZMKUFJAZFFUWLI-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO N#CCC[N@H+](Cc1c[nH]c2ccc(Cl)cc12)C1CCCC1 ZINC001137712391 1045944212 /nfs/dbraw/zinc/94/42/12/1045944212.db2.gz AIHPGLPZXDFZSA-UHFFFAOYSA-N 1 1 301.821 4.480 20 30 DIEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000755196799 1045961671 /nfs/dbraw/zinc/96/16/71/1045961671.db2.gz YSQURZVHPKQUQW-SAPNQHFASA-N 1 1 306.409 4.124 20 30 DIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccc(F)cc2)c2ccccn21 ZINC000755626158 1046003582 /nfs/dbraw/zinc/00/35/82/1046003582.db2.gz KVBMWHZBCIMZOW-KHPPLWFESA-N 1 1 308.356 4.493 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779438 1046006732 /nfs/dbraw/zinc/00/67/32/1046006732.db2.gz USGMOYBCERKTMR-ZIAGYGMSSA-N 1 1 317.383 4.228 20 30 DIEDMO N#Cc1ccccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000756035187 1046041673 /nfs/dbraw/zinc/04/16/73/1046041673.db2.gz AEIYZZLKUMXUGA-SFHVURJKSA-N 1 1 304.393 4.094 20 30 DIEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000756056547 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C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cc2cccc(F)c2o1 ZINC000475692603 1046133972 /nfs/dbraw/zinc/13/39/72/1046133972.db2.gz IIUFFFZNXMUARH-NSHDSACASA-N 1 1 312.319 4.433 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)c(Br)c1)C(C)(C)C ZINC001138297807 1046140129 /nfs/dbraw/zinc/14/01/29/1046140129.db2.gz RBOLKVFJBYTJDY-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc2nccnc12 ZINC001138304173 1046142716 /nfs/dbraw/zinc/14/27/16/1046142716.db2.gz CTSATQAAPITZOX-UHFFFAOYSA-N 1 1 303.409 4.208 20 30 DIEDMO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)CCC1 ZINC000903035137 1046144923 /nfs/dbraw/zinc/14/49/23/1046144923.db2.gz JBLRFYVLUXOQLV-LJQANCHMSA-N 1 1 305.425 4.039 20 30 DIEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1OC ZINC001138345397 1046155532 /nfs/dbraw/zinc/15/55/32/1046155532.db2.gz FGTYVWLGSDNAOF-IBGZPJMESA-N 1 1 321.420 4.044 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cc2cccc(F)c2o1 ZINC000475705874 1046163181 /nfs/dbraw/zinc/16/31/81/1046163181.db2.gz UVPWMYRYUOQOQD-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO Cc1c(C[N@@H+]2CCc3cc(C#N)ccc3C2)[nH]c2ccc(F)cc12 ZINC001138409737 1046170152 /nfs/dbraw/zinc/17/01/52/1046170152.db2.gz FNIWPHDKCMFLRE-UHFFFAOYSA-N 1 1 319.383 4.045 20 30 DIEDMO Cc1c(C[N@H+]2CCc3cc(C#N)ccc3C2)[nH]c2ccc(F)cc12 ZINC001138409737 1046170156 /nfs/dbraw/zinc/17/01/56/1046170156.db2.gz FNIWPHDKCMFLRE-UHFFFAOYSA-N 1 1 319.383 4.045 20 30 DIEDMO Cc1c2cc(F)ccc2[nH]c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001138414804 1046173202 /nfs/dbraw/zinc/17/32/02/1046173202.db2.gz OJBGPAGCNWPALX-UHFFFAOYSA-N 1 1 307.372 4.119 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nccn1CC)c1cccc(Cl)c1 ZINC000903177795 1046184786 /nfs/dbraw/zinc/18/47/86/1046184786.db2.gz BZUHIKZQEQXOSO-INIZCTEOSA-N 1 1 303.837 4.354 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C(C)C ZINC000757732313 1046207404 /nfs/dbraw/zinc/20/74/04/1046207404.db2.gz GWDJWKSLQVWHMO-UHFFFAOYSA-N 1 1 305.315 4.163 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2)cc1 ZINC001138516683 1046209905 /nfs/dbraw/zinc/20/99/05/1046209905.db2.gz PHLWYMAJXNQKSR-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)sc1C ZINC000903262924 1046212715 /nfs/dbraw/zinc/21/27/15/1046212715.db2.gz JKTIKWAIFOOTBX-AWEZNQCLSA-N 1 1 305.472 4.324 20 30 DIEDMO CCCCOc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903262935 1046213759 /nfs/dbraw/zinc/21/37/59/1046213759.db2.gz JOLODAGWVQVONF-ZDUSSCGKSA-N 1 1 315.442 4.044 20 30 DIEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026198178 1046220949 /nfs/dbraw/zinc/22/09/49/1046220949.db2.gz SNWFUEGRJUMSTA-OXQOHEQNSA-N 1 1 320.436 4.225 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC001138559045 1046224798 /nfs/dbraw/zinc/22/47/98/1046224798.db2.gz NAMQOOBIEHAWIX-NRFANRHFSA-N 1 1 321.420 4.044 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001138583955 1046234288 /nfs/dbraw/zinc/23/42/88/1046234288.db2.gz ZRCSRROHFMMXOT-UHFFFAOYSA-N 1 1 318.424 4.151 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001138583955 1046234296 /nfs/dbraw/zinc/23/42/96/1046234296.db2.gz ZRCSRROHFMMXOT-UHFFFAOYSA-N 1 1 318.424 4.151 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000245501448 1046238246 /nfs/dbraw/zinc/23/82/46/1046238246.db2.gz CUCRLNYSVLDOHP-PXNSSMCTSA-N 1 1 320.436 4.185 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)cc1 ZINC000245503528 1046238447 /nfs/dbraw/zinc/23/84/47/1046238447.db2.gz IHAMHONTJXTJRP-HUUCEWRRSA-N 1 1 312.388 4.310 20 30 DIEDMO C=CCc1cccc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)c1O ZINC001138627728 1046247094 /nfs/dbraw/zinc/24/70/94/1046247094.db2.gz FBTVOTWFGFWWLF-HNNXBMFYSA-N 1 1 311.425 4.322 20 30 DIEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccc(N)cc1C ZINC000758119088 1046247370 /nfs/dbraw/zinc/24/73/70/1046247370.db2.gz AORBGRZFKNERHV-UHFFFAOYSA-N 1 1 305.328 4.015 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)Cc2cccc(F)c2F)c1O ZINC001138630651 1046249566 /nfs/dbraw/zinc/24/95/66/1046249566.db2.gz 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C=CCCC[N@H+](C)Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000093533554 1046632980 /nfs/dbraw/zinc/63/29/80/1046632980.db2.gz NOPMQQKIVNTUEZ-UHFFFAOYSA-N 1 1 306.841 4.064 20 30 DIEDMO C#CC[N@H+](Cc1c[nH]c2ccc(F)cc12)[C@@H]1CCc2ccccc21 ZINC001137339879 1046653476 /nfs/dbraw/zinc/65/34/76/1046653476.db2.gz IEWVMCYIYVVROU-OAQYLSRUSA-N 1 1 318.395 4.430 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1-c1cnc(N)nc1)C1CCCCC1 ZINC001140326650 1046656677 /nfs/dbraw/zinc/65/66/77/1046656677.db2.gz VLORIXGTAKMBCL-UHFFFAOYSA-N 1 1 322.456 4.047 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000533138504 1046658538 /nfs/dbraw/zinc/65/85/38/1046658538.db2.gz IVMVHPJMCHJZPR-INIZCTEOSA-N 1 1 315.420 4.349 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000533138504 1046658543 /nfs/dbraw/zinc/65/85/43/1046658543.db2.gz IVMVHPJMCHJZPR-INIZCTEOSA-N 1 1 315.420 4.349 20 30 DIEDMO C[C@@H](C#N)C[N@H+](CCCOc1ccc2ccccc2c1)C1CC1 ZINC000533139282 1046660011 /nfs/dbraw/zinc/66/00/11/1046660011.db2.gz TWOAITIMTAIXTQ-INIZCTEOSA-N 1 1 308.425 4.233 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](CCCOc1ccc2ccccc2c1)C1CC1 ZINC000533139282 1046660015 /nfs/dbraw/zinc/66/00/15/1046660015.db2.gz TWOAITIMTAIXTQ-INIZCTEOSA-N 1 1 308.425 4.233 20 30 DIEDMO C[C@H]1CSCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000533287854 1046686441 /nfs/dbraw/zinc/68/64/41/1046686441.db2.gz BJQCBKSVODQHKI-HNNXBMFYSA-N 1 1 308.450 4.163 20 30 DIEDMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CC=CCC1 ZINC000784386346 1046688481 /nfs/dbraw/zinc/68/84/81/1046688481.db2.gz WNBJWAOUJPCGBE-AWEZNQCLSA-N 1 1 304.821 4.030 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000678715867 1046690889 /nfs/dbraw/zinc/69/08/89/1046690889.db2.gz GSYCQHNAIMEVBZ-GARJFASQSA-N 1 1 303.290 4.404 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000533299961 1046691194 /nfs/dbraw/zinc/69/11/94/1046691194.db2.gz TYDIDAQPCHOJMD-CYBMUJFWSA-N 1 1 303.381 4.143 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784485592 1046691709 /nfs/dbraw/zinc/69/17/09/1046691709.db2.gz RHECYNFQWUISON-CQSZACIVSA-N 1 1 310.363 4.435 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c[nH]c3cccc(Cl)c13)CC2 ZINC001140433125 1046721712 /nfs/dbraw/zinc/72/17/12/1046721712.db2.gz QSXNRDZEFBJXNK-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cccc(Cl)c13)CC2 ZINC001140433125 1046721723 /nfs/dbraw/zinc/72/17/23/1046721723.db2.gz QSXNRDZEFBJXNK-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO C#CC[N@@H+](Cc1nc(Cl)ccc1C)[C@@H]1CCc2ccccc21 ZINC001140443925 1046725198 /nfs/dbraw/zinc/72/51/98/1046725198.db2.gz FFAFPNDKXXLTLC-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO C#CC[N@H+](Cc1nc(Cl)ccc1C)[C@@H]1CCc2ccccc21 ZINC001140443925 1046725210 /nfs/dbraw/zinc/72/52/10/1046725210.db2.gz FFAFPNDKXXLTLC-GOSISDBHSA-N 1 1 310.828 4.166 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC000533443730 1046727179 /nfs/dbraw/zinc/72/71/79/1046727179.db2.gz MBZUUBVORFJEMK-IBGZPJMESA-N 1 1 306.409 4.076 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140568514 1046787832 /nfs/dbraw/zinc/78/78/32/1046787832.db2.gz ISPZVCYBIRLBSN-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2C(F)(F)F)C1 ZINC001140568514 1046787840 /nfs/dbraw/zinc/78/78/40/1046787840.db2.gz ISPZVCYBIRLBSN-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140619182 1046814810 /nfs/dbraw/zinc/81/48/10/1046814810.db2.gz OMKZQOZQNKKCHP-UHFFFAOYSA-N 1 1 322.452 4.013 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC(F)F)c(O)c1)C1CCCCC1 ZINC001140629869 1046817990 /nfs/dbraw/zinc/81/79/90/1046817990.db2.gz DGMYGSQDWDKESD-UHFFFAOYSA-N 1 1 311.372 4.314 20 30 DIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000679544818 1046869297 /nfs/dbraw/zinc/86/92/97/1046869297.db2.gz IFJBWRHNPOQGSE-JSGCOSHPSA-N 1 1 315.766 4.354 20 30 DIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000679544818 1046869316 /nfs/dbraw/zinc/86/93/16/1046869316.db2.gz IFJBWRHNPOQGSE-JSGCOSHPSA-N 1 1 315.766 4.354 20 30 DIEDMO Cc1cc([NH+]2CCCCC2)ccc1Nc1cnc(C#N)c(F)c1 ZINC001203061113 1046870380 /nfs/dbraw/zinc/87/03/80/1046870380.db2.gz YVUZHKCLLYDBFK-UHFFFAOYSA-N 1 1 310.376 4.135 20 30 DIEDMO N#Cc1c(F)cc(C[N@@H+](Cc2ccccc2)C2CCC2)cc1F ZINC001140755843 1046887360 /nfs/dbraw/zinc/88/73/60/1046887360.db2.gz VKBXWGQRWFKBRD-UHFFFAOYSA-N 1 1 312.363 4.391 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+]([C@H]3CCc4ccccc43)CC2)cc1 ZINC000614963411 1046891751 /nfs/dbraw/zinc/89/17/51/1046891751.db2.gz CEVRYTKVNWREIC-NRFANRHFSA-N 1 1 300.405 4.335 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1Cl ZINC001140809996 1046912682 /nfs/dbraw/zinc/91/26/82/1046912682.db2.gz PWHNOHLSEMLYKO-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccncc2)c1 ZINC001137393857 1046918346 /nfs/dbraw/zinc/91/83/46/1046918346.db2.gz LRWCJUBQKWIZCL-IRTIRVBGSA-N 1 1 303.409 4.015 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140832423 1046921073 /nfs/dbraw/zinc/92/10/73/1046921073.db2.gz ZGXBBJGZCCUPEF-UHFFFAOYSA-N 1 1 321.207 4.203 20 30 DIEDMO CN(Cc1ccc(C#N)cc1)Cc1cc(Cl)c([O-])c(Cl)c1 ZINC001140832423 1046921084 /nfs/dbraw/zinc/92/10/84/1046921084.db2.gz ZGXBBJGZCCUPEF-UHFFFAOYSA-N 1 1 321.207 4.203 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001140882984 1046940625 /nfs/dbraw/zinc/94/06/25/1046940625.db2.gz UQPFKYJQPGDJKL-JTQLQIEISA-N 1 1 318.289 4.109 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001140882984 1046940635 /nfs/dbraw/zinc/94/06/35/1046940635.db2.gz UQPFKYJQPGDJKL-JTQLQIEISA-N 1 1 318.289 4.109 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccn2)s1)Cc1ccc(C#N)cc1 ZINC001141001091 1046974321 /nfs/dbraw/zinc/97/43/21/1046974321.db2.gz WNZLYHLCMPVPOV-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344787 1046985280 /nfs/dbraw/zinc/98/52/80/1046985280.db2.gz ZGUSTQVNQPTFFQ-AQNXPRMDSA-N 1 1 300.490 4.056 20 30 DIEDMO Cc1ccc(C2=CC[N@@H+](CCCC3(C#N)CCOCC3)CC2)cc1 ZINC000799105646 1046998522 /nfs/dbraw/zinc/99/85/22/1046998522.db2.gz FNQOGPSFFSAUCB-UHFFFAOYSA-N 1 1 324.468 4.185 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(-c2ccc(F)cc2)c1 ZINC001141118280 1047019486 /nfs/dbraw/zinc/01/94/86/1047019486.db2.gz RQSMSLJCHOHMPZ-OHFIKTQHSA-N 1 1 321.399 4.154 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117876 1047020583 /nfs/dbraw/zinc/02/05/83/1047020583.db2.gz AHJIEXNHMWQLAB-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001141166248 1047034134 /nfs/dbraw/zinc/03/41/34/1047034134.db2.gz AWJHQZGEHZXFEZ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001141166248 1047034148 /nfs/dbraw/zinc/03/41/48/1047034148.db2.gz AWJHQZGEHZXFEZ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183342 1047037160 /nfs/dbraw/zinc/03/71/60/1047037160.db2.gz ARDUGKQLCZRIJS-UHFFFAOYSA-N 1 1 300.446 4.306 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC001141183342 1047037170 /nfs/dbraw/zinc/03/71/70/1047037170.db2.gz ARDUGKQLCZRIJS-UHFFFAOYSA-N 1 1 300.446 4.306 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c(F)c1 ZINC001141198044 1047044109 /nfs/dbraw/zinc/04/41/09/1047044109.db2.gz SSWRDVQEPJCFEK-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@H]([N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1)C(C)(C)C ZINC000536655885 1047046889 /nfs/dbraw/zinc/04/68/89/1047046889.db2.gz MTCWHUDUQIWTBJ-INIZCTEOSA-N 1 1 324.472 4.330 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000536668684 1047049198 /nfs/dbraw/zinc/04/91/98/1047049198.db2.gz NMGZJSQNNOXMLS-FQEVSTJZSA-N 1 1 308.425 4.292 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000536664063 1047057490 /nfs/dbraw/zinc/05/74/90/1047057490.db2.gz DBQLCWIQWKQBGO-PMACEKPBSA-N 1 1 320.436 4.275 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C[C@@H]1F ZINC001141289140 1047077043 /nfs/dbraw/zinc/07/70/43/1047077043.db2.gz BOJHFWVKLPVMRP-KUHUBIRLSA-N 1 1 310.372 4.140 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@@H]4F)cc2)cc1 ZINC001141296027 1047078669 /nfs/dbraw/zinc/07/86/69/1047078669.db2.gz RFDHQBCYSPHWQL-ZWOKBUDYSA-N 1 1 322.383 4.283 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]4C[C@@H]43)cc2)cc1 ZINC001141295412 1047078964 /nfs/dbraw/zinc/07/89/64/1047078964.db2.gz CEPRFKSEROXJKK-XLIONFOSSA-N 1 1 304.393 4.335 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4C[C@H]3C[C@H]4F)cc2)cc1 ZINC001141293993 1047079154 /nfs/dbraw/zinc/07/91/54/1047079154.db2.gz RFDHQBCYSPHWQL-ABSDTBQOSA-N 1 1 322.383 4.283 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H](F)C3)cc2)cc1 ZINC001141293975 1047080341 /nfs/dbraw/zinc/08/03/41/1047080341.db2.gz QQJOFVOHCOJZCB-QGZVFWFLSA-N 1 1 310.372 4.284 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)cc1 ZINC001141293975 1047080355 /nfs/dbraw/zinc/08/03/55/1047080355.db2.gz QQJOFVOHCOJZCB-QGZVFWFLSA-N 1 1 310.372 4.284 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2ncc(C#N)cc2Cl)cc1 ZINC001212968127 1047115514 /nfs/dbraw/zinc/11/55/14/1047115514.db2.gz LEZQERTXNZFFJL-UHFFFAOYSA-N 1 1 300.793 4.196 20 30 DIEDMO C=C(CC)C[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000536893606 1047121241 /nfs/dbraw/zinc/12/12/41/1047121241.db2.gz NFIGNPSOTIXKEV-UHFFFAOYSA-N 1 1 301.409 4.046 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000537039360 1047131654 /nfs/dbraw/zinc/13/16/54/1047131654.db2.gz OMEGAMVWHJTEDH-KRWDZBQOSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000537039360 1047131657 /nfs/dbraw/zinc/13/16/57/1047131657.db2.gz OMEGAMVWHJTEDH-KRWDZBQOSA-N 1 1 310.372 4.043 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000537205152 1047152009 /nfs/dbraw/zinc/15/20/09/1047152009.db2.gz 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CCCCCCCCCN1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001201852977 1048382180 /nfs/dbraw/zinc/38/21/80/1048382180.db2.gz VQHKUCBQDGBBDY-UHFFFAOYSA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201826117 1048382665 /nfs/dbraw/zinc/38/26/65/1048382665.db2.gz NEASHOJNXMEBQL-UHFFFAOYSA-N 1 1 303.372 4.078 20 30 DIEDMO CCCCCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001201826117 1048382675 /nfs/dbraw/zinc/38/26/75/1048382675.db2.gz NEASHOJNXMEBQL-UHFFFAOYSA-N 1 1 303.372 4.078 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001201826451 1048382885 /nfs/dbraw/zinc/38/28/85/1048382885.db2.gz WQOKZUHVZHXPGA-IBGZPJMESA-N 1 1 308.510 4.214 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001201826343 1048383950 /nfs/dbraw/zinc/38/39/50/1048383950.db2.gz SMMDGZQPXRAMGW-RBUKOAKNSA-N 1 1 309.494 4.007 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001201826017 1048384186 /nfs/dbraw/zinc/38/41/86/1048384186.db2.gz KUPYMKFSCHHRJP-MRXNPFEDSA-N 1 1 312.498 4.194 20 30 DIEDMO N#CC1(c2ccccc2)CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000600179671 1048384247 /nfs/dbraw/zinc/38/42/47/1048384247.db2.gz VCHWVXDIFPADOY-UHFFFAOYSA-N 1 1 305.425 4.339 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201838927 1048385077 /nfs/dbraw/zinc/38/50/77/1048385077.db2.gz GNLGWMJLFWOCDG-INIZCTEOSA-N 1 1 307.482 4.157 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201838927 1048385089 /nfs/dbraw/zinc/38/50/89/1048385089.db2.gz GNLGWMJLFWOCDG-INIZCTEOSA-N 1 1 307.482 4.157 20 30 DIEDMO C[C@@H]1C[N@H+](Cc2cccc(OCCCC#N)c2)C[C@H](C)C1(F)F ZINC000600184204 1048385454 /nfs/dbraw/zinc/38/54/54/1048385454.db2.gz OCXHOVSBEHJJSJ-GASCZTMLSA-N 1 1 322.399 4.092 20 30 DIEDMO CCCCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201839054 1048385709 /nfs/dbraw/zinc/38/57/09/1048385709.db2.gz ILEHVFLHPRZSOQ-KGLIPLIRSA-N 1 1 313.379 4.074 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001201839280 1048385757 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CCCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001201846885 1048390268 /nfs/dbraw/zinc/39/02/68/1048390268.db2.gz OQYUCKKMNUFHSV-GOSISDBHSA-N 1 1 321.509 4.102 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001201846817 1048390302 /nfs/dbraw/zinc/39/03/02/1048390302.db2.gz MGRCEOPKIRWNFZ-HXUWFJFHSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001201874757 1048393668 /nfs/dbraw/zinc/39/36/68/1048393668.db2.gz FIWYEZKHPXWKCC-IYBDPMFKSA-N 1 1 303.437 4.341 20 30 DIEDMO CCCCCCCCCC[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001201874912 1048394169 /nfs/dbraw/zinc/39/41/69/1048394169.db2.gz LAOUNDCXXHYKCS-UHFFFAOYSA-N 1 1 306.498 4.358 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001201874912 1048394179 /nfs/dbraw/zinc/39/41/79/1048394179.db2.gz LAOUNDCXXHYKCS-UHFFFAOYSA-N 1 1 306.498 4.358 20 30 DIEDMO C=C(CC)C[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481432551 1048400802 /nfs/dbraw/zinc/40/08/02/1048400802.db2.gz KJAGAIDNXFIZHA-IBGZPJMESA-N 1 1 305.425 4.219 20 30 DIEDMO C=C(CC)C[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000481432552 1048402853 /nfs/dbraw/zinc/40/28/53/1048402853.db2.gz KJAGAIDNXFIZHA-LJQANCHMSA-N 1 1 305.425 4.219 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001175870997 1048487407 /nfs/dbraw/zinc/48/74/07/1048487407.db2.gz HOMCWXUNRISANV-DLBZAZTESA-N 1 1 307.865 4.235 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1(C)C ZINC001175871001 1048487533 /nfs/dbraw/zinc/48/75/33/1048487533.db2.gz HOMCWXUNRISANV-IAGOWNOFSA-N 1 1 307.865 4.235 20 30 DIEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000555975380 1048495799 /nfs/dbraw/zinc/49/57/99/1048495799.db2.gz NMGREJZHCJFHII-MRXNPFEDSA-N 1 1 322.493 4.150 20 30 DIEDMO N#Cc1ncc(Cl)cc1NC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001163847678 1048535621 /nfs/dbraw/zinc/53/56/21/1048535621.db2.gz AEMUOBAUHHQBAJ-UHFFFAOYSA-N 1 1 314.820 4.212 20 30 DIEDMO CCCc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000481980952 1048539445 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C#CC[N@@H+](Cc1cc(Br)ccc1Cl)C(C)(C)C ZINC001176281013 1048617671 /nfs/dbraw/zinc/61/76/71/1048617671.db2.gz HIWUSRLYNKBVMS-UHFFFAOYSA-N 1 1 314.654 4.336 20 30 DIEDMO C=C(C)CN(CC)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001165140860 1048661405 /nfs/dbraw/zinc/66/14/05/1048661405.db2.gz CQWKIQANEXLUMP-UHFFFAOYSA-N 1 1 321.468 4.042 20 30 DIEDMO C#CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)C1CCCCC1 ZINC000109357232 1048664369 /nfs/dbraw/zinc/66/43/69/1048664369.db2.gz FLCBTZGTUXYNNJ-UHFFFAOYSA-N 1 1 324.424 4.118 20 30 DIEDMO C[N@H+]1CCC[C@@H](CCNc2cc(CC#N)cc3ccccc32)C1 ZINC001165301076 1048677868 /nfs/dbraw/zinc/67/78/68/1048677868.db2.gz WYOOQYKSAPVCDA-INIZCTEOSA-N 1 1 307.441 4.050 20 30 DIEDMO C#CC[N@H+](C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCc2ccccc21 ZINC001176453383 1048688042 /nfs/dbraw/zinc/68/80/42/1048688042.db2.gz SVOOQABZCIGARD-CRAIPNDOSA-N 1 1 303.396 4.435 20 30 DIEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCCCC2)cnn1-c1ccccc1 ZINC000850551613 1048689469 /nfs/dbraw/zinc/68/94/69/1048689469.db2.gz 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C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C)c(Cl)n1 ZINC001190642726 1048770210 /nfs/dbraw/zinc/77/02/10/1048770210.db2.gz GOHAKADUWLQAFK-UHFFFAOYSA-N 1 1 311.816 4.103 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)c(Cl)n1 ZINC001190642726 1048770224 /nfs/dbraw/zinc/77/02/24/1048770224.db2.gz GOHAKADUWLQAFK-UHFFFAOYSA-N 1 1 311.816 4.103 20 30 DIEDMO CCC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001176782717 1048787997 /nfs/dbraw/zinc/78/79/97/1048787997.db2.gz MVRDAOWWHRHKTR-CQSZACIVSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC001176797862 1048788713 /nfs/dbraw/zinc/78/87/13/1048788713.db2.gz GHMYMVHPDOYDEX-IAGOWNOFSA-N 1 1 314.473 4.031 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001176814759 1048790633 /nfs/dbraw/zinc/79/06/33/1048790633.db2.gz QJZOTIPBWFSTDI-RISCZKNCSA-N 1 1 303.793 4.101 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC001176814759 1048790646 /nfs/dbraw/zinc/79/06/46/1048790646.db2.gz QJZOTIPBWFSTDI-RISCZKNCSA-N 1 1 303.793 4.101 20 30 DIEDMO C=C(CC)C[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC001190847560 1048794797 /nfs/dbraw/zinc/79/47/97/1048794797.db2.gz PGDHENFPCPOIIO-UHFFFAOYSA-N 1 1 302.245 4.144 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC001176904007 1048808419 /nfs/dbraw/zinc/80/84/19/1048808419.db2.gz MIHYKNWHMNNPPF-MSOLQXFVSA-N 1 1 308.510 4.212 20 30 DIEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC001190985740 1048815295 /nfs/dbraw/zinc/81/52/95/1048815295.db2.gz RKLHEWKTYDSPQR-NRFANRHFSA-N 1 1 307.412 4.193 20 30 DIEDMO C[C@H]1SCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1c1ccccc1 ZINC001191030872 1048827675 /nfs/dbraw/zinc/82/76/75/1048827675.db2.gz SBTQSPXEOCEOHK-JIZBTBOESA-N 1 1 314.498 4.495 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000852329288 1048836387 /nfs/dbraw/zinc/83/63/87/1048836387.db2.gz XRHKRNWTMGXYJL-FPOVZHCZSA-N 1 1 317.436 4.016 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(SC(=O)N(C)C)cc1 ZINC000852685398 1048853502 /nfs/dbraw/zinc/85/35/02/1048853502.db2.gz HDLYZTISVAUJTO-IYBDPMFKSA-N 1 1 316.470 4.143 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(CC)ccc12 ZINC000852685886 1048854115 /nfs/dbraw/zinc/85/41/15/1048854115.db2.gz LZSTZZNIQRNMBQ-CALCHBBNSA-N 1 1 309.409 4.038 20 30 DIEDMO CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 ZINC001191155343 1048865911 /nfs/dbraw/zinc/86/59/11/1048865911.db2.gz FSASQYGXHTUUGZ-CEXWTWQISA-N 1 1 312.457 4.106 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1F ZINC000483955635 1048888195 /nfs/dbraw/zinc/88/81/95/1048888195.db2.gz DESUCNWIFYRMDV-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1F ZINC000483979701 1048889933 /nfs/dbraw/zinc/88/99/33/1048889933.db2.gz MBKIWONTHCRNAA-INIZCTEOSA-N 1 1 314.791 4.340 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](c2ccccc2)CO1 ZINC001191234504 1048906209 /nfs/dbraw/zinc/90/62/09/1048906209.db2.gz VEYXLNRQGRQXAY-HKUYNNGSSA-N 1 1 312.457 4.313 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001191317824 1048924219 /nfs/dbraw/zinc/92/42/19/1048924219.db2.gz NMPOFDHSRXUCPJ-QRWLVFNGSA-N 1 1 308.400 4.323 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@H]1C(F)(F)F ZINC000484358527 1048927961 /nfs/dbraw/zinc/92/79/61/1048927961.db2.gz HBXYQGBPLRKRQB-OAHLLOKOSA-N 1 1 310.363 4.163 20 30 DIEDMO CCc1ccc([C@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355635 1048929497 /nfs/dbraw/zinc/92/94/97/1048929497.db2.gz LLIBEFMFHAGUJK-IIBYNOLFSA-N 1 1 320.436 4.255 20 30 DIEDMO CCc1ccc([C@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355635 1048929510 /nfs/dbraw/zinc/92/95/10/1048929510.db2.gz LLIBEFMFHAGUJK-IIBYNOLFSA-N 1 1 320.436 4.255 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000161492495 1048936466 /nfs/dbraw/zinc/93/64/66/1048936466.db2.gz IHLFGOOALXOSNS-AWEZNQCLSA-N 1 1 315.388 4.250 20 30 DIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001191477587 1048949893 /nfs/dbraw/zinc/94/98/93/1048949893.db2.gz ZBSRKFUWWCYWBR-XLIONFOSSA-N 1 1 307.412 4.130 20 30 DIEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC001191530090 1048958765 /nfs/dbraw/zinc/95/87/65/1048958765.db2.gz JINAKATYWGBAQY-PMACEKPBSA-N 1 1 319.489 4.171 20 30 DIEDMO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)CC1CCCCC1 ZINC000484562339 1048974757 /nfs/dbraw/zinc/97/47/57/1048974757.db2.gz ATUAZBNTTYTSQZ-UHFFFAOYSA-N 1 1 323.484 4.500 20 30 DIEDMO C=CC[N@H+](Cc1nccn1Cc1ccccc1)CC1CCCCC1 ZINC000484562339 1048974768 /nfs/dbraw/zinc/97/47/68/1048974768.db2.gz ATUAZBNTTYTSQZ-UHFFFAOYSA-N 1 1 323.484 4.500 20 30 DIEDMO Fc1ccc(C#CC[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC001191646908 1048975109 /nfs/dbraw/zinc/97/51/09/1048975109.db2.gz WLSLZMWUALGCOS-NRFANRHFSA-N 1 1 305.396 4.329 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001191656450 1048978445 /nfs/dbraw/zinc/97/84/45/1048978445.db2.gz XMLRCLABIFHPGM-LJQANCHMSA-N 1 1 317.473 4.337 20 30 DIEDMO CCCCCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001191656450 1048978457 /nfs/dbraw/zinc/97/84/57/1048978457.db2.gz XMLRCLABIFHPGM-LJQANCHMSA-N 1 1 317.473 4.337 20 30 DIEDMO N#Cc1cn(-c2ccc([NH+]3CCCCC3)cc2)c2cc(N)ccc12 ZINC001203724524 1048982201 /nfs/dbraw/zinc/98/22/01/1048982201.db2.gz PVIMTELQGCKRPG-UHFFFAOYSA-N 1 1 316.408 4.075 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCc2ccc(Cl)cc21 ZINC001203764285 1048992860 /nfs/dbraw/zinc/99/28/60/1048992860.db2.gz JNUGPYAQUAYAFD-AWEZNQCLSA-N 1 1 310.828 4.373 20 30 DIEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001191742224 1048995769 /nfs/dbraw/zinc/99/57/69/1048995769.db2.gz MVRBEYCRBVONAJ-IRXDYDNUSA-N 1 1 320.864 4.237 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC001203905043 1049029410 /nfs/dbraw/zinc/02/94/10/1049029410.db2.gz PIFZTJQSZAYCEH-IBGZPJMESA-N 1 1 308.400 4.152 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC001203962450 1049045401 /nfs/dbraw/zinc/04/54/01/1049045401.db2.gz MURCNYXTEMYZCP-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1 ZINC001203962450 1049045417 /nfs/dbraw/zinc/04/54/17/1049045417.db2.gz MURCNYXTEMYZCP-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252149 1049059262 /nfs/dbraw/zinc/05/92/62/1049059262.db2.gz GMLFXEXQVWYERN-RBUKOAKNSA-N 1 1 300.490 4.328 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[C@@H](C)C1 ZINC000484860592 1049062821 /nfs/dbraw/zinc/06/28/21/1049062821.db2.gz IUCAJAXKULGSOR-SJLPKXTDSA-N 1 1 314.473 4.125 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000484912114 1049078186 /nfs/dbraw/zinc/07/81/86/1049078186.db2.gz RWSLBODTRLEYLO-DZGCQCFKSA-N 1 1 322.474 4.202 20 30 DIEDMO N#CCCOCC[N@@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000338996654 1049095810 /nfs/dbraw/zinc/09/58/10/1049095810.db2.gz GFZFADCOVPMDRK-KRWDZBQOSA-N 1 1 306.837 4.187 20 30 DIEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(Cl)c(Cl)c1 ZINC001192470696 1049102206 /nfs/dbraw/zinc/10/22/06/1049102206.db2.gz GBOWGIOJRDGZJU-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO N#CC1(CCCC[N@H+]2CC[C@@H](COc3ccccc3)C2)CCC1 ZINC001192490672 1049111750 /nfs/dbraw/zinc/11/17/50/1049111750.db2.gz SEVVCKRCVHUHCW-GOSISDBHSA-N 1 1 312.457 4.251 20 30 DIEDMO C=CC[N@@H+](Cc1noc(-c2ccccc2)n1)CC1CCCCC1 ZINC000484971040 1049133580 /nfs/dbraw/zinc/13/35/80/1049133580.db2.gz LUCBYZQCBPSDMV-UHFFFAOYSA-N 1 1 311.429 4.305 20 30 DIEDMO C=CC[N@H+](Cc1noc(-c2ccccc2)n1)CC1CCCCC1 ZINC000484971040 1049133586 /nfs/dbraw/zinc/13/35/86/1049133586.db2.gz LUCBYZQCBPSDMV-UHFFFAOYSA-N 1 1 311.429 4.305 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)cc1 ZINC001204303915 1049134154 /nfs/dbraw/zinc/13/41/54/1049134154.db2.gz SOXUCMOTDFCGSR-HXUWFJFHSA-N 1 1 308.425 4.292 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001204299921 1049134359 /nfs/dbraw/zinc/13/43/59/1049134359.db2.gz FCUYABTZVJIZKK-GOSISDBHSA-N 1 1 308.425 4.026 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC001204300505 1049134857 /nfs/dbraw/zinc/13/48/57/1049134857.db2.gz TUZZMJBCVACSPE-FQEVSTJZSA-N 1 1 308.425 4.374 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)CC/C=C/c2cccnc2)cc1 ZINC001204304023 1049135147 /nfs/dbraw/zinc/13/51/47/1049135147.db2.gz ZGFGTKTUXDAIHW-QPJJXVBHSA-N 1 1 308.425 4.182 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1c(F)cccc1Cl ZINC000775547965 1049137591 /nfs/dbraw/zinc/13/75/91/1049137591.db2.gz GWTHVUNUWPGWMK-LBPRGKRZSA-N 1 1 318.779 4.232 20 30 DIEDMO CCOc1c(Cl)cccc1C[NH2+]CC1(C#N)CCCCC1 ZINC001179173010 1049139284 /nfs/dbraw/zinc/13/92/84/1049139284.db2.gz FRFDXJUKQYMQFQ-UHFFFAOYSA-N 1 1 306.837 4.302 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cc3ccccc3s2)no1 ZINC000904726924 1049141694 /nfs/dbraw/zinc/14/16/94/1049141694.db2.gz DTGGHDCZMFDZFJ-CQSZACIVSA-N 1 1 313.426 4.231 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)cc1 ZINC001204321260 1049142024 /nfs/dbraw/zinc/14/20/24/1049142024.db2.gz IARKVTVLIBHGHJ-UHFFFAOYSA-N 1 1 306.453 4.475 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C(C)(F)F)c2)no1 ZINC000904733602 1049143751 /nfs/dbraw/zinc/14/37/51/1049143751.db2.gz XSXCTIZBOSDGEG-CYBMUJFWSA-N 1 1 307.344 4.204 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)CC1 ZINC001204331576 1049144126 /nfs/dbraw/zinc/14/41/26/1049144126.db2.gz JNGVUSUJCTYFJT-GOSISDBHSA-N 1 1 320.436 4.391 20 30 DIEDMO CCc1cccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001192945871 1049150954 /nfs/dbraw/zinc/15/09/54/1049150954.db2.gz DJXCUMOUUMJEOO-UHFFFAOYSA-N 1 1 302.421 4.410 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCc2ccc(Cl)cc21 ZINC001204372725 1049152845 /nfs/dbraw/zinc/15/28/45/1049152845.db2.gz HQKNIZDDRWRGRV-AWEZNQCLSA-N 1 1 310.828 4.373 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccccc2C#N)c1 ZINC001204370003 1049153832 /nfs/dbraw/zinc/15/38/32/1049153832.db2.gz MXEXZDDKPMDSEM-HXUWFJFHSA-N 1 1 306.409 4.294 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccccc2C#N)c1 ZINC001204370003 1049153838 /nfs/dbraw/zinc/15/38/38/1049153838.db2.gz MXEXZDDKPMDSEM-HXUWFJFHSA-N 1 1 306.409 4.294 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCC[C@@H]2CCO2)C(C)(C)C)cc1 ZINC001204432980 1049162841 /nfs/dbraw/zinc/16/28/41/1049162841.db2.gz YBUDHJCUYMJWMQ-GOSISDBHSA-N 1 1 317.473 4.421 20 30 DIEDMO Cc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N ZINC001204480660 1049172793 /nfs/dbraw/zinc/17/27/93/1049172793.db2.gz VTBUCSKFGRWUGH-BEFAXECRSA-N 1 1 308.400 4.384 20 30 DIEDMO Fc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001204483250 1049172961 /nfs/dbraw/zinc/17/29/61/1049172961.db2.gz PQTBEZSNBWQXGK-VIFPVBQESA-N 1 1 315.232 4.229 20 30 DIEDMO Fc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(C(F)(F)F)c1 ZINC001204483250 1049172967 /nfs/dbraw/zinc/17/29/67/1049172967.db2.gz PQTBEZSNBWQXGK-VIFPVBQESA-N 1 1 315.232 4.229 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCc2ccccc2C1 ZINC001204489261 1049175101 /nfs/dbraw/zinc/17/51/01/1049175101.db2.gz SJZJSNRSLSSKMO-GOSISDBHSA-N 1 1 307.412 4.066 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCCCCC1 ZINC001204493589 1049176086 /nfs/dbraw/zinc/17/60/86/1049176086.db2.gz RNABXQZJVUCNLU-UHFFFAOYSA-N 1 1 312.457 4.450 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)CCC(C)C)cc1F ZINC001204498293 1049176739 /nfs/dbraw/zinc/17/67/39/1049176739.db2.gz YOQPNACIDAEPEL-INIZCTEOSA-N 1 1 320.452 4.275 20 30 DIEDMO COc1ccc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc2c1 ZINC001204518069 1049180685 /nfs/dbraw/zinc/18/06/85/1049180685.db2.gz QHKHEHGZVHQHJA-OHFIKTQHSA-N 1 1 306.409 4.115 20 30 DIEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001193508798 1049219249 /nfs/dbraw/zinc/21/92/49/1049219249.db2.gz SBYIWKDFGJQJET-CQSZACIVSA-N 1 1 310.363 4.445 20 30 DIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC001204721381 1049240270 /nfs/dbraw/zinc/24/02/70/1049240270.db2.gz LKFMXZOHPKPLPU-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(CCCOC)CCC1 ZINC001204736147 1049245816 /nfs/dbraw/zinc/24/58/16/1049245816.db2.gz IFUFIXMUPZHJGC-UHFFFAOYSA-N 1 1 305.437 4.411 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC001179961603 1049253016 /nfs/dbraw/zinc/25/30/16/1049253016.db2.gz GLJJPVGBWLPCKG-UYAOXDASSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(F)c1 ZINC001179961603 1049253026 /nfs/dbraw/zinc/25/30/26/1049253026.db2.gz GLJJPVGBWLPCKG-UYAOXDASSA-N 1 1 308.400 4.406 20 30 DIEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C1CCCCC1 ZINC001180030797 1049259523 /nfs/dbraw/zinc/25/95/23/1049259523.db2.gz PERPOUSTZINRNE-MRXNPFEDSA-N 1 1 317.448 4.281 20 30 DIEDMO CC(C)[N@@H+](Cc1csc(C#N)c1)Cc1ccc(N(C)C)cc1 ZINC001180077567 1049275328 /nfs/dbraw/zinc/27/53/28/1049275328.db2.gz PSUASDPTWLXLII-UHFFFAOYSA-N 1 1 313.470 4.096 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccc(F)cc3)CC2)cc1 ZINC001180133621 1049281449 /nfs/dbraw/zinc/28/14/49/1049281449.db2.gz ZMYFHEFJGYRCLC-UHFFFAOYSA-N 1 1 306.384 4.029 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)N(C(C)C)C2CCCC2)CCCC1(C)C ZINC001193921008 1049284737 /nfs/dbraw/zinc/28/47/37/1049284737.db2.gz SZRLGVIYCUZQAL-GOSISDBHSA-N 1 1 320.521 4.233 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC001180114951 1049289035 /nfs/dbraw/zinc/28/90/35/1049289035.db2.gz PRSVPPYFYZVTOZ-LJQANCHMSA-N 1 1 308.425 4.351 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC001180114951 1049289045 /nfs/dbraw/zinc/28/90/45/1049289045.db2.gz PRSVPPYFYZVTOZ-LJQANCHMSA-N 1 1 308.425 4.351 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2ccoc21 ZINC001204899917 1049305391 /nfs/dbraw/zinc/30/53/91/1049305391.db2.gz VGZQORSGNYVSID-UHFFFAOYSA-N 1 1 302.377 4.493 20 30 DIEDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC001180166324 1049305828 /nfs/dbraw/zinc/30/58/28/1049305828.db2.gz NMYIQRBPARJEDW-INIZCTEOSA-N 1 1 318.420 4.197 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC001180170628 1049307852 /nfs/dbraw/zinc/30/78/52/1049307852.db2.gz PUGVBXFSCJYZSQ-VQTJNVASSA-N 1 1 305.425 4.111 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC001204909020 1049308636 /nfs/dbraw/zinc/30/86/36/1049308636.db2.gz VJZFRNGIAOMSQF-UHFFFAOYSA-N 1 1 308.400 4.500 20 30 DIEDMO CC[N@@H+](CC1Cc2ccccc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC001180199808 1049316426 /nfs/dbraw/zinc/31/64/26/1049316426.db2.gz YSOMXINKQKMNLA-INIZCTEOSA-N 1 1 304.437 4.356 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC001204960841 1049324035 /nfs/dbraw/zinc/32/40/35/1049324035.db2.gz JOCUANSVECFWQC-ZDUSSCGKSA-N 1 1 314.256 4.203 20 30 DIEDMO Cc1ccc(C[NH2+][C@H](C)c2nc3c(s2)CCCC3)cc1C#N ZINC000859262885 1049326416 /nfs/dbraw/zinc/32/64/16/1049326416.db2.gz SITZEXRIHOKCEE-CYBMUJFWSA-N 1 1 311.454 4.053 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)o1 ZINC000485731098 1049329242 /nfs/dbraw/zinc/32/92/42/1049329242.db2.gz TXSXUJSTIGGHDU-XUVXKRRUSA-N 1 1 306.409 4.309 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001180281243 1049334131 /nfs/dbraw/zinc/33/41/31/1049334131.db2.gz ZTZAYJOLDUUKPM-WMLDXEAASA-N 1 1 303.833 4.117 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)cc1O ZINC001180280775 1049334965 /nfs/dbraw/zinc/33/49/65/1049334965.db2.gz MQTMZGBGPOUJOA-UHFFFAOYSA-N 1 1 301.817 4.276 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)CCc1ccc(F)cc1Cl ZINC001180331647 1049347544 /nfs/dbraw/zinc/34/75/44/1049347544.db2.gz IRQCTNIJFYVMMI-UHFFFAOYSA-N 1 1 307.796 4.345 20 30 DIEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000485885977 1049361137 /nfs/dbraw/zinc/36/11/37/1049361137.db2.gz XYAJRHVZZJUIRW-GUDVDZBRSA-N 1 1 314.498 4.291 20 30 DIEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001180412793 1049361517 /nfs/dbraw/zinc/36/15/17/1049361517.db2.gz HLWKUKKOLOJMIY-QGZVFWFLSA-N 1 1 311.454 4.023 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC001205083612 1049369198 /nfs/dbraw/zinc/36/91/98/1049369198.db2.gz YZRAWHDONCGXKH-OAHLLOKOSA-N 1 1 308.400 4.498 20 30 DIEDMO C#CCCCCCC[N@H+](C)Cc1ccc(Br)cc1 ZINC001180531824 1049374158 /nfs/dbraw/zinc/37/41/58/1049374158.db2.gz KUSTUWFTPLOZAG-UHFFFAOYSA-N 1 1 308.263 4.465 20 30 DIEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccccc1OC(F)(F)F ZINC001180539998 1049377890 /nfs/dbraw/zinc/37/78/90/1049377890.db2.gz FBPYBKZIKSHKPH-UHFFFAOYSA-N 1 1 319.326 4.069 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1OC(F)(F)F ZINC001180539998 1049377900 /nfs/dbraw/zinc/37/79/00/1049377900.db2.gz FBPYBKZIKSHKPH-UHFFFAOYSA-N 1 1 319.326 4.069 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC#Cc2ccccc2)c1 ZINC001180834331 1049408403 /nfs/dbraw/zinc/40/84/03/1049408403.db2.gz DQKYQUXOMSAIRS-UTKZUKDTSA-N 1 1 305.421 4.130 20 30 DIEDMO C=CCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br ZINC001194676513 1049411136 /nfs/dbraw/zinc/41/11/36/1049411136.db2.gz YGOXGSHICALGIN-OAHLLOKOSA-N 1 1 308.263 4.422 20 30 DIEDMO C#Cc1ccc(C[N@H+](Cc2ccc(OC)cc2)[C@H](C)C2CC2)cc1 ZINC001205225222 1049412547 /nfs/dbraw/zinc/41/25/47/1049412547.db2.gz SZXXEDWDDSBEID-QGZVFWFLSA-N 1 1 319.448 4.477 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2csc(C#N)c2)cc1 ZINC001205225516 1049412677 /nfs/dbraw/zinc/41/26/77/1049412677.db2.gz XILJMCFGRHBATP-SFHVURJKSA-N 1 1 312.438 4.356 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)cc1F ZINC001205244116 1049416138 /nfs/dbraw/zinc/41/61/38/1049416138.db2.gz TZYPBNJJFFRPAC-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)cc1F ZINC001205251944 1049416874 /nfs/dbraw/zinc/41/68/74/1049416874.db2.gz RVWVKSLVSZAIIX-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000775612654 1049438070 /nfs/dbraw/zinc/43/80/70/1049438070.db2.gz GWNZUSFWOHGINE-HXUWFJFHSA-N 1 1 304.437 4.305 20 30 DIEDMO CCCCCCCCCOC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001194920500 1049449615 /nfs/dbraw/zinc/44/96/15/1049449615.db2.gz IJEARTNPHIYZMU-BCDXTJNWSA-N 1 1 324.509 4.479 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2ccc(O)c(OCC)c2)CCCC1(C)C ZINC001181297171 1049461914 /nfs/dbraw/zinc/46/19/14/1049461914.db2.gz NYRANUYSZHNTJK-GOSISDBHSA-N 1 1 303.446 4.358 20 30 DIEDMO Cc1cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)ccc1C#N ZINC000486800881 1049476224 /nfs/dbraw/zinc/47/62/24/1049476224.db2.gz KUZWZANHQYPVAR-FQEVSTJZSA-N 1 1 305.425 4.379 20 30 DIEDMO Cc1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)ccc1C#N ZINC000486800882 1049477031 /nfs/dbraw/zinc/47/70/31/1049477031.db2.gz KUZWZANHQYPVAR-HXUWFJFHSA-N 1 1 305.425 4.379 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)c1 ZINC000486801530 1049477167 /nfs/dbraw/zinc/47/71/67/1049477167.db2.gz UVNJKKKCCCHZFX-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000486804518 1049478817 /nfs/dbraw/zinc/47/88/17/1049478817.db2.gz RIKZCZVPOFPICQ-LJQANCHMSA-N 1 1 304.437 4.305 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(F)c(C#N)c1 ZINC001205493797 1049486399 /nfs/dbraw/zinc/48/63/99/1049486399.db2.gz 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C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489935 1051143850 /nfs/dbraw/zinc/14/38/50/1051143850.db2.gz KMZWKVCMLGDIOO-KBPBESRZSA-N 1 1 306.247 4.245 20 30 DIEDMO CCOC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CCCCCC1 ZINC001171612681 1051176763 /nfs/dbraw/zinc/17/67/63/1051176763.db2.gz CIKHYGUMEGXZAO-KRWDZBQOSA-N 1 1 322.493 4.198 20 30 DIEDMO N#C[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170388758 1051194772 /nfs/dbraw/zinc/19/47/72/1051194772.db2.gz CRFSPJZVDQLLLQ-KKXNLOMOSA-N 1 1 307.441 4.016 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001170389433 1051195111 /nfs/dbraw/zinc/19/51/11/1051195111.db2.gz SHQXNWSTRCTTDH-ABHNRTSZSA-N 1 1 316.395 4.122 20 30 DIEDMO CC[N@@H+](Cc1ccccn1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170389470 1051196056 /nfs/dbraw/zinc/19/60/56/1051196056.db2.gz UFCCAACGJMHNCU-UHFFFAOYSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001171773788 1051210446 /nfs/dbraw/zinc/21/04/46/1051210446.db2.gz ZOEPGTZDBJTECZ-IBGZPJMESA-N 1 1 312.363 4.000 20 30 DIEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001171773788 1051210461 /nfs/dbraw/zinc/21/04/61/1051210461.db2.gz ZOEPGTZDBJTECZ-IBGZPJMESA-N 1 1 312.363 4.000 20 30 DIEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC001171773317 1051211278 /nfs/dbraw/zinc/21/12/78/1051211278.db2.gz VHMBPLYPSUAVGV-MRXNPFEDSA-N 1 1 310.466 4.365 20 30 DIEDMO COc1ccc(C[C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)cc1 ZINC001171786319 1051220480 /nfs/dbraw/zinc/22/04/80/1051220480.db2.gz SMCNAEKWJQOYKS-HXUWFJFHSA-N 1 1 320.436 4.164 20 30 DIEDMO C[C@@H](NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000793112869 1051249122 /nfs/dbraw/zinc/24/91/22/1051249122.db2.gz XZGFIFYWLWPZMG-VTBWFHPJSA-N 1 1 315.505 4.441 20 30 DIEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171975785 1051264091 /nfs/dbraw/zinc/26/40/91/1051264091.db2.gz ZRCGDFCRAZZXRG-WNOSKKOXSA-N 1 1 322.374 4.403 20 30 DIEDMO CCC(C#N)(CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978732 1051268748 /nfs/dbraw/zinc/26/87/48/1051268748.db2.gz LHTYEBQMUVYBLU-GOSISDBHSA-N 1 1 313.489 4.102 20 30 DIEDMO CCC[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171980158 1051270146 /nfs/dbraw/zinc/27/01/46/1051270146.db2.gz PNPNEEZXMRXPEB-UYAOXDASSA-N 1 1 313.489 4.102 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172187056 1051308021 /nfs/dbraw/zinc/30/80/21/1051308021.db2.gz VJWHTMCSYXPKRC-MSOLQXFVSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172187059 1051309394 /nfs/dbraw/zinc/30/93/94/1051309394.db2.gz VJWHTMCSYXPKRC-ZWKOTPCHSA-N 1 1 308.510 4.212 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000793610329 1051326801 /nfs/dbraw/zinc/32/68/01/1051326801.db2.gz UAUCVJPZXLLQIW-UHFFFAOYSA-N 1 1 321.468 4.404 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172306831 1051334047 /nfs/dbraw/zinc/33/40/47/1051334047.db2.gz LIRTXUGJMCPEDC-UZLBHIALSA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001172306161 1051334267 /nfs/dbraw/zinc/33/42/67/1051334267.db2.gz IWRVLBNZQWXMSK-JXFKEZNVSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc2cccnc21 ZINC001172307287 1051335131 /nfs/dbraw/zinc/33/51/31/1051335131.db2.gz NNNGXPNKXNRDJY-MRXNPFEDSA-N 1 1 315.420 4.169 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172307295 1051335285 /nfs/dbraw/zinc/33/52/85/1051335285.db2.gz NQQLIXYUADAVPS-LAUBAEHRSA-N 1 1 320.436 4.033 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172310548 1051335297 /nfs/dbraw/zinc/33/52/97/1051335297.db2.gz GEJDDIKQXVOVKL-KRWDZBQOSA-N 1 1 322.452 4.062 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311044 1051335941 /nfs/dbraw/zinc/33/59/41/1051335941.db2.gz NSBUPYUQPBNIBM-OXJNMPFZSA-N 1 1 305.425 4.030 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001172307292 1051336301 /nfs/dbraw/zinc/33/63/01/1051336301.db2.gz NQQLIXYUADAVPS-DYESRHJHSA-N 1 1 320.436 4.033 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001172310891 1051336321 /nfs/dbraw/zinc/33/63/21/1051336321.db2.gz LFFVTBAFBBGDAA-VNCLNFNDSA-N 1 1 300.421 4.093 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)c1 ZINC001172318455 1051340227 /nfs/dbraw/zinc/34/02/27/1051340227.db2.gz GEGDYHRFEIDQLD-HRAATJIYSA-N 1 1 320.436 4.335 20 30 DIEDMO C#CC[N@@H+](Cc1oc(CCC)nc1C)[C@@H]1CCc2ccccc21 ZINC000794292158 1051370061 /nfs/dbraw/zinc/37/00/61/1051370061.db2.gz DESFFJVVKPHHRP-GOSISDBHSA-N 1 1 308.425 4.058 20 30 DIEDMO C#CC[N@H+](Cc1oc(CCC)nc1C)[C@@H]1CCc2ccccc21 ZINC000794292158 1051370074 /nfs/dbraw/zinc/37/00/74/1051370074.db2.gz DESFFJVVKPHHRP-GOSISDBHSA-N 1 1 308.425 4.058 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172357211 1051371866 /nfs/dbraw/zinc/37/18/66/1051371866.db2.gz JHNXUOVAUGATFF-MSOLQXFVSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172357650 1051372642 /nfs/dbraw/zinc/37/26/42/1051372642.db2.gz LKDBKRASJWCEJL-MSOLQXFVSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172357650 1051372651 /nfs/dbraw/zinc/37/26/51/1051372651.db2.gz LKDBKRASJWCEJL-MSOLQXFVSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172357214 1051373170 /nfs/dbraw/zinc/37/31/70/1051373170.db2.gz JHNXUOVAUGATFF-ZWKOTPCHSA-N 1 1 321.509 4.105 20 30 DIEDMO CC(C)OCC[C@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172458163 1051411180 /nfs/dbraw/zinc/41/11/80/1051411180.db2.gz ZLMQWLWZGZFAGO-HNNXBMFYSA-N 1 1 308.853 4.259 20 30 DIEDMO CC(C)OCC[C@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172458163 1051411187 /nfs/dbraw/zinc/41/11/87/1051411187.db2.gz ZLMQWLWZGZFAGO-HNNXBMFYSA-N 1 1 308.853 4.259 20 30 DIEDMO C=CC[N@@H+](Cc1cc(OC)ccc1Br)C(C)(C)C ZINC001137910959 1051416485 /nfs/dbraw/zinc/41/64/85/1051416485.db2.gz YJIRYRXLEUWCEE-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO C=CC[N@H+](Cc1cc(OC)ccc1Br)C(C)(C)C ZINC001137910959 1051416490 /nfs/dbraw/zinc/41/64/90/1051416490.db2.gz YJIRYRXLEUWCEE-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172511722 1051428406 /nfs/dbraw/zinc/42/84/06/1051428406.db2.gz VKVAMJAPVKDYNL-INIZCTEOSA-N 1 1 317.539 4.025 20 30 DIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)cc1 ZINC001172498677 1051417805 /nfs/dbraw/zinc/41/78/05/1051417805.db2.gz PUINRLUTJUORGW-FUHWJXTLSA-N 1 1 300.446 4.032 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001172495039 1051418597 /nfs/dbraw/zinc/41/85/97/1051418597.db2.gz MCPJZQDVKZFACK-MISYRCLQSA-N 1 1 312.457 4.107 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000746452393 1051418686 /nfs/dbraw/zinc/41/86/86/1051418686.db2.gz UJNFIXRMPDAPSL-KRWDZBQOSA-N 1 1 306.498 4.399 20 30 DIEDMO COc1ccc(C[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)cc1 ZINC001172498678 1051419013 /nfs/dbraw/zinc/41/90/13/1051419013.db2.gz PUINRLUTJUORGW-SJLPKXTDSA-N 1 1 300.446 4.032 20 30 DIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@@H](C)CCCC#N ZINC001172499094 1051420267 /nfs/dbraw/zinc/42/02/67/1051420267.db2.gz AOZAIJVKFGFETM-ZDUSSCGKSA-N 1 1 309.251 4.353 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCOC2(CCOCC2)C1 ZINC001172500579 1051420296 /nfs/dbraw/zinc/42/02/96/1051420296.db2.gz AORZQGYXVZJNQZ-GOSISDBHSA-N 1 1 311.510 4.397 20 30 DIEDMO CCOC(=O)C[C@H]1CC[C@H](C[N@@H+](CC)[C@H](C)CCCC#N)CC1 ZINC001172499326 1051420357 /nfs/dbraw/zinc/42/03/57/1051420357.db2.gz WEFZPERHISJYNU-KZNAEPCWSA-N 1 1 322.493 4.150 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001172500576 1051420699 /nfs/dbraw/zinc/42/06/99/1051420699.db2.gz AOBWMLOQTPWEAC-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCn2c(CC)nnc2C1 ZINC001172500576 1051420710 /nfs/dbraw/zinc/42/07/10/1051420710.db2.gz AOBWMLOQTPWEAC-INIZCTEOSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172504551 1051422293 /nfs/dbraw/zinc/42/22/93/1051422293.db2.gz GFOJGIJPYHNVSM-IKGGRYGDSA-N 1 1 305.453 4.260 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172504538 1051422536 /nfs/dbraw/zinc/42/25/36/1051422536.db2.gz FZGAFQNCZYGLDY-ZWKOTPCHSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001172504535 1051423195 /nfs/dbraw/zinc/42/31/95/1051423195.db2.gz FZGAFQNCZYGLDY-MSOLQXFVSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001172504545 1051423230 /nfs/dbraw/zinc/42/32/30/1051423230.db2.gz GCIJDZHXAJXKAW-SFHVURJKSA-N 1 1 310.526 4.458 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC001172508366 1051424208 /nfs/dbraw/zinc/42/42/08/1051424208.db2.gz CJRDRGOJICFZEA-TWMKSMIVSA-N 1 1 320.477 4.044 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001172505488 1051425454 /nfs/dbraw/zinc/42/54/54/1051425454.db2.gz NZCOEYGQTIFQKK-SJLPKXTDSA-N 1 1 310.482 4.090 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172509125 1051426841 /nfs/dbraw/zinc/42/68/41/1051426841.db2.gz SZZKEEOZYUMJHP-HKUYNNGSSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172512124 1051429185 /nfs/dbraw/zinc/42/91/85/1051429185.db2.gz ZKMTYUNGEMEFHC-KZNAEPCWSA-N 1 1 308.510 4.211 20 30 DIEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CCCC)C1 ZINC001172650789 1051470222 /nfs/dbraw/zinc/47/02/22/1051470222.db2.gz OBJKWBMWWHKXRG-HZPDHXFCSA-N 1 1 310.482 4.063 20 30 DIEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172650788 1051470940 /nfs/dbraw/zinc/47/09/40/1051470940.db2.gz OBJKWBMWWHKXRG-HOTGVXAUSA-N 1 1 310.482 4.063 20 30 DIEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1C#N ZINC001168982919 1051477286 /nfs/dbraw/zinc/47/72/86/1051477286.db2.gz UKXJRPHIPUIVOM-ZDUSSCGKSA-N 1 1 307.422 4.327 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172676288 1051478519 /nfs/dbraw/zinc/47/85/19/1051478519.db2.gz KZMLXXAOQPJART-IBGZPJMESA-N 1 1 316.489 4.080 20 30 DIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC001168969582 1051480973 /nfs/dbraw/zinc/48/09/73/1051480973.db2.gz WWRSTVKAQCMBKK-QGZVFWFLSA-N 1 1 308.425 4.339 20 30 DIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](Cc3cc(C#N)ccn3)C2)cc1 ZINC001168967800 1051481476 /nfs/dbraw/zinc/48/14/76/1051481476.db2.gz BFVWACWPFAYAOZ-LJQANCHMSA-N 1 1 319.452 4.141 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ncccc2OC)cc1 ZINC001169212007 1051550920 /nfs/dbraw/zinc/55/09/20/1051550920.db2.gz HEZXJLRPMWSXOD-LJQANCHMSA-N 1 1 323.440 4.025 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCc2cc(C)ccn2)cc1 ZINC001169324616 1051577513 /nfs/dbraw/zinc/57/75/13/1051577513.db2.gz RSPHAOIGSKFKJJ-OAQYLSRUSA-N 1 1 321.468 4.368 20 30 DIEDMO CO[C@H]1CCC[C@H]([N@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946486 1051580712 /nfs/dbraw/zinc/58/07/12/1051580712.db2.gz UJUWEQFNHGVMBN-IRXDYDNUSA-N 1 1 306.837 4.013 20 30 DIEDMO CO[C@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001172946486 1051580723 /nfs/dbraw/zinc/58/07/23/1051580723.db2.gz UJUWEQFNHGVMBN-IRXDYDNUSA-N 1 1 306.837 4.013 20 30 DIEDMO CCC1(CC)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001169301841 1051581510 /nfs/dbraw/zinc/58/15/10/1051581510.db2.gz ZMLTWUHDIRWSPT-UHFFFAOYSA-N 1 1 315.417 4.259 20 30 DIEDMO CCCC[N@@H+](CCC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173203685 1051633030 /nfs/dbraw/zinc/63/30/30/1051633030.db2.gz CMEFXVMWDGUDKK-UHFFFAOYSA-N 1 1 300.446 4.392 20 30 DIEDMO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@H](C#N)C1 ZINC001173208494 1051647228 /nfs/dbraw/zinc/64/72/28/1051647228.db2.gz AROCVYXENQQXQM-ZWKOTPCHSA-N 1 1 304.437 4.443 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](CCCC)CC(C)C)C2)C1=O ZINC001173263276 1051663470 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CCCCCCCCC[C@@H](CCC)n1cnc(C[NH3+])cc1=N ZINC001173284921 1051688147 /nfs/dbraw/zinc/68/81/47/1051688147.db2.gz KXUUXOUEFRAHQN-QGZVFWFLSA-N 1 1 306.498 4.303 20 30 DIEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839846 1051689290 /nfs/dbraw/zinc/68/92/90/1051689290.db2.gz UGIOFEJACBSQEK-WBVHZDCISA-N 1 1 300.446 4.236 20 30 DIEDMO C=CCOC1CCC([N@H+](C)[C@@H](C)Cc2ccccc2OC)CC1 ZINC001173322900 1051692918 /nfs/dbraw/zinc/69/29/18/1051692918.db2.gz PFEDPEJFVASFGX-IVMQYODDSA-N 1 1 317.473 4.072 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccccc2OC)CC1 ZINC001173327921 1051694775 /nfs/dbraw/zinc/69/47/75/1051694775.db2.gz VUCANJZQJVFWFE-FAFZWHIHSA-N 1 1 315.457 4.346 20 30 DIEDMO C=CCOC1CCC([N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC001173327519 1051695061 /nfs/dbraw/zinc/69/50/61/1051695061.db2.gz NIRJOHDDDCELIB-UHFFFAOYSA-N 1 1 307.865 4.328 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2cccc(OC)c2)CC1 ZINC001173326760 1051695588 /nfs/dbraw/zinc/69/55/88/1051695588.db2.gz 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1051712106 /nfs/dbraw/zinc/71/21/06/1051712106.db2.gz CJKNQBDYOVHZRB-HNNXBMFYSA-N 1 1 301.459 4.258 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nccn2Cc2ccccc2)CCCC1(C)C ZINC001169843696 1051712393 /nfs/dbraw/zinc/71/23/93/1051712393.db2.gz HYIXEFSJBFKYHI-IBGZPJMESA-N 1 1 323.484 4.498 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001169865052 1051720081 /nfs/dbraw/zinc/72/00/81/1051720081.db2.gz XFDBACITBSUHFZ-SWLSCSKDSA-N 1 1 300.229 4.067 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169952531 1051736942 /nfs/dbraw/zinc/73/69/42/1051736942.db2.gz KPWGGONVSBJPPU-UHFFFAOYSA-N 1 1 314.360 4.312 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169952531 1051736949 /nfs/dbraw/zinc/73/69/49/1051736949.db2.gz KPWGGONVSBJPPU-UHFFFAOYSA-N 1 1 314.360 4.312 20 30 DIEDMO C=C(Cl)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001170499202 1051742761 /nfs/dbraw/zinc/74/27/61/1051742761.db2.gz FBJKVVDWPGZYLB-CYBMUJFWSA-N 1 1 314.654 4.066 20 30 DIEDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC(C)(C#N)CC1 ZINC001173592310 1051755864 /nfs/dbraw/zinc/75/58/64/1051755864.db2.gz MPYIJPQKJNGKSM-VQSBYGRUSA-N 1 1 314.473 4.421 20 30 DIEDMO CC1(C#N)CCC([N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173601702 1051760264 /nfs/dbraw/zinc/76/02/64/1051760264.db2.gz ZZVCTKDIJJLEFN-GMXGEUMGSA-N 1 1 318.848 4.186 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173601702 1051760277 /nfs/dbraw/zinc/76/02/77/1051760277.db2.gz ZZVCTKDIJJLEFN-GMXGEUMGSA-N 1 1 318.848 4.186 20 30 DIEDMO CCCCCCC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000806167003 1051766697 /nfs/dbraw/zinc/76/66/97/1051766697.db2.gz FZYRZCOCSZSCLS-GOSISDBHSA-N 1 1 300.450 4.007 20 30 DIEDMO CCCCCCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000806167004 1051767071 /nfs/dbraw/zinc/76/70/71/1051767071.db2.gz FZYRZCOCSZSCLS-SFHVURJKSA-N 1 1 300.450 4.007 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cncc(F)c1)c1ccc(F)c(F)c1 ZINC000186449377 1051819048 /nfs/dbraw/zinc/81/90/48/1051819048.db2.gz 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C=CCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1Cl ZINC000768872857 1051974143 /nfs/dbraw/zinc/97/41/43/1051974143.db2.gz KVZAZMYYSFMEMH-UHFFFAOYSA-N 1 1 317.816 4.242 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc(Cl)c(C)c1 ZINC000768932150 1051983552 /nfs/dbraw/zinc/98/35/52/1051983552.db2.gz ZRIALTWQVRHQTL-UHFFFAOYSA-N 1 1 316.832 4.240 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc(Cl)c(C)c1 ZINC000768932150 1051983563 /nfs/dbraw/zinc/98/35/63/1051983563.db2.gz ZRIALTWQVRHQTL-UHFFFAOYSA-N 1 1 316.832 4.240 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000191959052 1051990943 /nfs/dbraw/zinc/99/09/43/1051990943.db2.gz KERGTWDWUVLPOZ-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000769106640 1051995571 /nfs/dbraw/zinc/99/55/71/1051995571.db2.gz VTVMJKDYVRULHW-MGPUTAFESA-N 1 1 322.408 4.020 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccnc2ccccc12 ZINC000769146287 1052002057 /nfs/dbraw/zinc/00/20/57/1052002057.db2.gz RQOUQZOEXWCOFI-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769228448 1052010289 /nfs/dbraw/zinc/01/02/89/1052010289.db2.gz ANLZKTZCQLCWPI-UHFFFAOYSA-N 1 1 311.510 4.399 20 30 DIEDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000769234538 1052011118 /nfs/dbraw/zinc/01/11/18/1052011118.db2.gz UKAKFIJEUIFXHE-IEBWSBKVSA-N 1 1 320.436 4.275 20 30 DIEDMO N#CCOc1ccccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001212597285 1052017089 /nfs/dbraw/zinc/01/70/89/1052017089.db2.gz MJYHROGIRTXDQZ-UHFFFAOYSA-N 1 1 301.349 4.395 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170005557 1052019743 /nfs/dbraw/zinc/01/97/43/1052019743.db2.gz RIIQLWNJWGLCCS-UHFFFAOYSA-N 1 1 302.462 4.085 20 30 DIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769403284 1052042796 /nfs/dbraw/zinc/04/27/96/1052042796.db2.gz BTLVCHJEWRKEDB-POAQFYNOSA-N 1 1 311.473 4.189 20 30 DIEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769426902 1052044808 /nfs/dbraw/zinc/04/48/08/1052044808.db2.gz KDQDGHPEPKVAIT-SJLPKXTDSA-N 1 1 300.446 4.236 20 30 DIEDMO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000769463202 1052060711 /nfs/dbraw/zinc/06/07/11/1052060711.db2.gz OIUCTPSCVLRVJK-QZTJIDSGSA-N 1 1 322.452 4.349 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC23CCCCC3)cc1 ZINC000769506556 1052071372 /nfs/dbraw/zinc/07/13/72/1052071372.db2.gz WYGFEJYBZQLTDI-UHFFFAOYSA-N 1 1 311.473 4.335 20 30 DIEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769538857 1052077303 /nfs/dbraw/zinc/07/73/03/1052077303.db2.gz YKWXIYGQNJYFKX-TXPKVOOTSA-N 1 1 300.446 4.378 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]1c1ccccc1 ZINC000769539767 1052079061 /nfs/dbraw/zinc/07/90/61/1052079061.db2.gz MQDOJRILNLXHTF-UTKZUKDTSA-N 1 1 319.452 4.229 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nnc(Cc2ccccc2)o1 ZINC001217737750 1052131210 /nfs/dbraw/zinc/13/12/10/1052131210.db2.gz FVXZGAZYOLTPGM-INIZCTEOSA-N 1 1 301.434 4.411 20 30 DIEDMO C=CC[C@@H](C(=O)Nc1ccc2nc(C)[nH]c2c1)c1ccccc1 ZINC000494892507 1052159760 /nfs/dbraw/zinc/15/97/60/1052159760.db2.gz SWIJUIXOZYFQSB-MRXNPFEDSA-N 1 1 305.381 4.170 20 30 DIEDMO CCCCCCCC[C@H](CC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217899015 1052168045 /nfs/dbraw/zinc/16/80/45/1052168045.db2.gz ZUZIYOPHGBZVJU-DLBZAZTESA-N 1 1 315.498 4.203 20 30 DIEDMO Cc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)c(F)c3)CC2)c1 ZINC001168475681 1052201186 /nfs/dbraw/zinc/20/11/86/1052201186.db2.gz OVAOUGSNEKZLNS-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)Cc1ccsc1 ZINC000495262268 1052279011 /nfs/dbraw/zinc/27/90/11/1052279011.db2.gz OPOPSORLZPMXTL-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000495421924 1052343668 /nfs/dbraw/zinc/34/36/68/1052343668.db2.gz WNEIFARQINTUSU-RLLQIKCJSA-N 1 1 300.490 4.231 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000495421924 1052343671 /nfs/dbraw/zinc/34/36/71/1052343671.db2.gz WNEIFARQINTUSU-RLLQIKCJSA-N 1 1 300.490 4.231 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)cc1 ZINC000762420900 1052379618 /nfs/dbraw/zinc/37/96/18/1052379618.db2.gz NXSNLFBKOSRAIF-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000762791861 1052423653 /nfs/dbraw/zinc/42/36/53/1052423653.db2.gz YVMOFDNNNFSVMA-KRWDZBQOSA-N 1 1 312.388 4.187 20 30 DIEDMO C=CCc1cc(C[N@@H+]2Cc3ccccc3[C@H](C)C2)c(O)c(OC)c1 ZINC000915838553 1052501317 /nfs/dbraw/zinc/50/13/17/1052501317.db2.gz GJPRGULGAIWDEU-OAHLLOKOSA-N 1 1 323.436 4.249 20 30 DIEDMO Cc1cc(C#N)cc(C)c1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001222648487 1052523438 /nfs/dbraw/zinc/52/34/38/1052523438.db2.gz GEGKMGQPCQNJJS-IBGZPJMESA-N 1 1 305.425 4.394 20 30 DIEDMO C=C[C@H](O[C@H]1CCCN(c2ccc(C)c[nH+]2)C1)c1ccccc1 ZINC001223311258 1052587072 /nfs/dbraw/zinc/58/70/72/1052587072.db2.gz ZPJDDGKBQWCZMQ-OALUTQOASA-N 1 1 308.425 4.303 20 30 DIEDMO Cc1cc(C)c(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)c(C)c1 ZINC000916339886 1052603457 /nfs/dbraw/zinc/60/34/57/1052603457.db2.gz XTGAUIVSFVWTAN-UHFFFAOYSA-N 1 1 320.440 4.408 20 30 DIEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N(C)CCC#N)cc2)c1 ZINC000916346496 1052605065 /nfs/dbraw/zinc/60/50/65/1052605065.db2.gz DXDDCIBMFPMSRI-UHFFFAOYSA-N 1 1 306.413 4.099 20 30 DIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000763406222 1052624222 /nfs/dbraw/zinc/62/42/22/1052624222.db2.gz HCKDAPPMRDFHSG-WOJBJXKFSA-N 1 1 312.457 4.026 20 30 DIEDMO CCC1CCC([N@@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)CC1 ZINC000763396013 1052624252 /nfs/dbraw/zinc/62/42/52/1052624252.db2.gz NZHXTQQQFZEDKU-UPQHMETBSA-N 1 1 312.457 4.025 20 30 DIEDMO C=CC[C@H](C)[NH2+][C@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000124229643 1052638835 /nfs/dbraw/zinc/63/88/35/1052638835.db2.gz JWKYPQQCWAODIB-YJBOKZPZSA-N 1 1 319.408 4.380 20 30 DIEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000916838309 1052658435 /nfs/dbraw/zinc/65/84/35/1052658435.db2.gz VKYWHJZWCLUPLR-UHFFFAOYSA-N 1 1 317.388 4.248 20 30 DIEDMO N#CCCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000126394408 1052668978 /nfs/dbraw/zinc/66/89/78/1052668978.db2.gz UMYLPSFCSRKFNX-ZDUSSCGKSA-N 1 1 313.228 4.140 20 30 DIEDMO C=CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000917010612 1052679414 /nfs/dbraw/zinc/67/94/14/1052679414.db2.gz IHKRLFLHCMTEDQ-UHFFFAOYSA-N 1 1 306.409 4.015 20 30 DIEDMO N#CCCCCCCO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224377061 1052692930 /nfs/dbraw/zinc/69/29/30/1052692930.db2.gz XEVDALPUDNDVEJ-GOSISDBHSA-N 1 1 318.436 4.281 20 30 DIEDMO C=CCCCCCO[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224427968 1052696268 /nfs/dbraw/zinc/69/62/68/1052696268.db2.gz OBSZZDXPRBCKOO-AZUAARDMSA-N 1 1 317.473 4.039 20 30 DIEDMO C=CCCCCCO[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224427968 1052696273 /nfs/dbraw/zinc/69/62/73/1052696273.db2.gz OBSZZDXPRBCKOO-AZUAARDMSA-N 1 1 317.473 4.039 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCCC2(C#N)CCC2)C1 ZINC000929963969 1052701279 /nfs/dbraw/zinc/70/12/79/1052701279.db2.gz AKMADTOBTNRNLM-OTWHNJEPSA-N 1 1 317.521 4.188 20 30 DIEDMO CCCCCC[C@@H](CCCC)CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224626325 1052710690 /nfs/dbraw/zinc/71/06/90/1052710690.db2.gz WLUIDJHDFBJFBI-CPPNMTBBSA-N 1 1 323.521 4.392 20 30 DIEDMO CCCCCC[C@@H](CCCC)CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224626325 1052710694 /nfs/dbraw/zinc/71/06/94/1052710694.db2.gz WLUIDJHDFBJFBI-CPPNMTBBSA-N 1 1 323.521 4.392 20 30 DIEDMO C[N@H+]1CCCC[C@H]1CO[C@@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705247 1052718014 /nfs/dbraw/zinc/71/80/14/1052718014.db2.gz DRZZHKNTLVINKM-VXKWHMMOSA-N 1 1 319.448 4.280 20 30 DIEDMO C=C(CO[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738379 1052721034 /nfs/dbraw/zinc/72/10/34/1052721034.db2.gz DSKSLEQSCPWPKJ-UYAOXDASSA-N 1 1 322.452 4.337 20 30 DIEDMO C=C(CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1)c1ccccc1 ZINC001224738375 1052721453 /nfs/dbraw/zinc/72/14/53/1052721453.db2.gz DSKSLEQSCPWPKJ-AZUAARDMSA-N 1 1 322.452 4.337 20 30 DIEDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000154382880 1052723619 /nfs/dbraw/zinc/72/36/19/1052723619.db2.gz RNYLBGDLBYKSSB-UHFFFAOYSA-N 1 1 324.424 4.073 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)c(C)cc1O)[C@@H]1CCc2ccccc21 ZINC000917455908 1052729314 /nfs/dbraw/zinc/72/93/14/1052729314.db2.gz CFKUSEFNXASLKZ-HXUWFJFHSA-N 1 1 305.421 4.132 20 30 DIEDMO N#C[C@H](OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224829054 1052729255 /nfs/dbraw/zinc/72/92/55/1052729255.db2.gz HLTDSJBCOSOBKD-FPOVZHCZSA-N 1 1 320.436 4.180 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000918023825 1052773211 /nfs/dbraw/zinc/77/32/11/1052773211.db2.gz JGAVNTFMHVOTAZ-QGZVFWFLSA-N 1 1 308.425 4.329 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)s1 ZINC000556092533 1052797370 /nfs/dbraw/zinc/79/73/70/1052797370.db2.gz ZLJGREYCKVUTON-UHFFFAOYSA-N 1 1 312.369 4.309 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000609280615 1052809087 /nfs/dbraw/zinc/80/90/87/1052809087.db2.gz GMYJJNRGUQRENI-KRWDZBQOSA-N 1 1 308.400 4.152 20 30 DIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000615230204 1052872363 /nfs/dbraw/zinc/87/23/63/1052872363.db2.gz LWRWHVRIKQKULI-GXFFZTMASA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000615230204 1052872365 /nfs/dbraw/zinc/87/23/65/1052872365.db2.gz LWRWHVRIKQKULI-GXFFZTMASA-N 1 1 316.754 4.374 20 30 DIEDMO C=C(Br)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000919647689 1052879516 /nfs/dbraw/zinc/87/95/16/1052879516.db2.gz DTYOPFQAWNUAQT-UHFFFAOYSA-N 1 1 319.246 4.256 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000155068733 1052883372 /nfs/dbraw/zinc/88/33/72/1052883372.db2.gz LRDPGDTXWPGWBI-FQEVSTJZSA-N 1 1 319.452 4.026 20 30 DIEDMO CC[C@H](C#Cc1ccccc1)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423619 1052894844 /nfs/dbraw/zinc/89/48/44/1052894844.db2.gz ZDJYEGJHFLGFAW-MRXNPFEDSA-N 1 1 302.377 4.026 20 30 DIEDMO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H]3CF)c2)c1 ZINC000556949679 1052903626 /nfs/dbraw/zinc/90/36/26/1052903626.db2.gz AGTYOWMCPODXPQ-IBGZPJMESA-N 1 1 324.399 4.071 20 30 DIEDMO C=CCc1cc(OCC)cc(C[N@@H+](CC)C2CCCC2)c1O ZINC000919938925 1052905711 /nfs/dbraw/zinc/90/57/11/1052905711.db2.gz CYDRINKMKYGKBQ-UHFFFAOYSA-N 1 1 303.446 4.284 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000920207020 1052926760 /nfs/dbraw/zinc/92/67/60/1052926760.db2.gz UXPGSIQKARJMDM-ZDUSSCGKSA-N 1 1 314.654 4.256 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000920207020 1052926763 /nfs/dbraw/zinc/92/67/63/1052926763.db2.gz UXPGSIQKARJMDM-ZDUSSCGKSA-N 1 1 314.654 4.256 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000920207019 1052927060 /nfs/dbraw/zinc/92/70/60/1052927060.db2.gz UXPGSIQKARJMDM-CYBMUJFWSA-N 1 1 314.654 4.256 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000920207019 1052927064 /nfs/dbraw/zinc/92/70/64/1052927064.db2.gz UXPGSIQKARJMDM-CYBMUJFWSA-N 1 1 314.654 4.256 20 30 DIEDMO Cc1ccc(C#N)c(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001226756723 1052927999 /nfs/dbraw/zinc/92/79/99/1052927999.db2.gz SDMZKNBFVWKUBR-XLIONFOSSA-N 1 1 320.436 4.156 20 30 DIEDMO Cc1[nH+]ccn1CCCCSc1cccc(C#N)c1Cl ZINC000920282171 1052932045 /nfs/dbraw/zinc/93/20/45/1052932045.db2.gz KXPHPTDLZMDSGQ-UHFFFAOYSA-N 1 1 305.834 4.289 20 30 DIEDMO C#CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000920415817 1052938705 /nfs/dbraw/zinc/93/87/05/1052938705.db2.gz OGLIHWMEGQNJPX-UHFFFAOYSA-N 1 1 321.449 4.056 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC3 ZINC000609823454 1052994295 /nfs/dbraw/zinc/99/42/95/1052994295.db2.gz GXJOIKOHNPKCBU-HNNXBMFYSA-N 1 1 315.420 4.467 20 30 DIEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+]([C@@H](C)c1ccc(C#N)cc1)CC3 ZINC000609823454 1052994298 /nfs/dbraw/zinc/99/42/98/1052994298.db2.gz GXJOIKOHNPKCBU-HNNXBMFYSA-N 1 1 315.420 4.467 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000609916464 1052999251 /nfs/dbraw/zinc/99/92/51/1052999251.db2.gz QAKPIMICWRKIKG-QAPCUYQASA-N 1 1 308.400 4.323 20 30 DIEDMO Cc1cc(C#N)cc(O[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1 ZINC001227838410 1053020533 /nfs/dbraw/zinc/02/05/33/1053020533.db2.gz MPTFXWGWMZZFTI-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1cc(F)ccc1F ZINC000179779246 1053026577 /nfs/dbraw/zinc/02/65/77/1053026577.db2.gz IKHSUPRECHWIKK-KRWDZBQOSA-N 1 1 316.351 4.086 20 30 DIEDMO C=CCCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCC1 ZINC000617417727 1053133444 /nfs/dbraw/zinc/13/34/44/1053133444.db2.gz DARGKTQXFFMDSC-MRXNPFEDSA-N 1 1 317.477 4.039 20 30 DIEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001212325657 1053166779 /nfs/dbraw/zinc/16/67/79/1053166779.db2.gz ZKWZDASSXGFDEM-KRWDZBQOSA-N 1 1 305.381 4.002 20 30 DIEDMO C=CCCCCCC[C@@H](C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081109 1053241268 /nfs/dbraw/zinc/24/12/68/1053241268.db2.gz NUXVFAMLZSWOFI-CYBMUJFWSA-N 1 1 308.397 4.424 20 30 DIEDMO C=C(C)c1ccc(OC2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC001229079059 1053241681 /nfs/dbraw/zinc/24/16/81/1053241681.db2.gz OVZMAZUFKRPENG-UHFFFAOYSA-N 1 1 308.425 4.471 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001360675122 1053259685 /nfs/dbraw/zinc/25/96/85/1053259685.db2.gz WFHDTWJPMOUUJA-BZSNNMDCSA-N 1 1 310.526 4.314 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001319715455 1053266729 /nfs/dbraw/zinc/26/67/29/1053266729.db2.gz AVXQBLQJQKYROV-UHFFFAOYSA-N 1 1 318.420 4.202 20 30 DIEDMO Cc1cccc(C#N)c1O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001229180660 1053269272 /nfs/dbraw/zinc/26/92/72/1053269272.db2.gz AJVLMOWGNHLVKF-PXNSSMCTSA-N 1 1 320.436 4.156 20 30 DIEDMO CC(C)COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181644160 1053271426 /nfs/dbraw/zinc/27/14/26/1053271426.db2.gz UUNVXFOPQMGNDJ-MAUKXSAKSA-N 1 1 312.413 4.216 20 30 DIEDMO C[C@@H](NC(C)(C)C[NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181749135 1053286652 /nfs/dbraw/zinc/28/66/52/1053286652.db2.gz VUOHOSFKCXPRGI-DLBZAZTESA-N 1 1 321.468 4.338 20 30 DIEDMO COc1ccccc1C1([NH2+][C@@H](C)c2ccc(C#N)cc2F)CCC1 ZINC001319963230 1053288838 /nfs/dbraw/zinc/28/88/38/1053288838.db2.gz XJNYZHCCQCAFSX-AWEZNQCLSA-N 1 1 324.399 4.436 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000618280087 1053293271 /nfs/dbraw/zinc/29/32/71/1053293271.db2.gz UGNHSURUDFBDCM-SFHVURJKSA-N 1 1 300.446 4.170 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC001320087276 1053302703 /nfs/dbraw/zinc/30/27/03/1053302703.db2.gz XDKKRPIZAVHSFT-CYBMUJFWSA-N 1 1 317.376 4.075 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229427921 1053317243 /nfs/dbraw/zinc/31/72/43/1053317243.db2.gz DZPAFIJHEXIBOA-PCLFDXGNSA-N 1 1 321.420 4.056 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229427920 1053318848 /nfs/dbraw/zinc/31/88/48/1053318848.db2.gz DZPAFIJHEXIBOA-KRBJHKROSA-N 1 1 321.420 4.056 20 30 DIEDMO CC[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc(C#N)cc1 ZINC000618571868 1053323353 /nfs/dbraw/zinc/32/33/53/1053323353.db2.gz IRMYUGWVHNQPGF-OAHLLOKOSA-N 1 1 322.305 4.356 20 30 DIEDMO Cc1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)ccc1C#N ZINC000618594401 1053329072 /nfs/dbraw/zinc/32/90/72/1053329072.db2.gz SILMPHFTQZLPOU-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO CC[N@@H+](CCC(=O)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000182076513 1053340580 /nfs/dbraw/zinc/34/05/80/1053340580.db2.gz UCEWOHHGONOZBS-MRXNPFEDSA-N 1 1 306.409 4.214 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000093772207 1053449840 /nfs/dbraw/zinc/44/98/40/1053449840.db2.gz BTHSJCAZEOJWQZ-INIZCTEOSA-N 1 1 302.462 4.136 20 30 DIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000619620318 1053520485 /nfs/dbraw/zinc/52/04/85/1053520485.db2.gz SGXLZQKWNFVFRF-UHFFFAOYSA-N 1 1 318.436 4.138 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000619784518 1053559135 /nfs/dbraw/zinc/55/91/35/1053559135.db2.gz OGYHRFYZCXEIIB-MRXNPFEDSA-N 1 1 322.374 4.421 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2SCC)CC1 ZINC000152980385 1053563291 /nfs/dbraw/zinc/56/32/91/1053563291.db2.gz PBCMARGOTQMSOC-INIZCTEOSA-N 1 1 318.530 4.490 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cc3ccccc3[nH]2)cc1 ZINC001323320671 1053575280 /nfs/dbraw/zinc/57/52/80/1053575280.db2.gz CWUJLGTXGJTCKZ-HNNXBMFYSA-N 1 1 319.408 4.091 20 30 DIEDMO Clc1ccccc1CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC001324258072 1053638676 /nfs/dbraw/zinc/63/86/76/1053638676.db2.gz GWRQVRRXKSPAII-ZDUSSCGKSA-N 1 1 311.816 4.137 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001324301000 1053642236 /nfs/dbraw/zinc/64/22/36/1053642236.db2.gz DARFTHOMTIBKHX-UHFFFAOYSA-N 1 1 322.493 4.066 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001353712564 1053650843 /nfs/dbraw/zinc/65/08/43/1053650843.db2.gz KRBKOVNNNZPCRC-GOSISDBHSA-N 1 1 316.489 4.080 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001353712564 1053650854 /nfs/dbraw/zinc/65/08/54/1053650854.db2.gz KRBKOVNNNZPCRC-GOSISDBHSA-N 1 1 316.489 4.080 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccn1C1CC1 ZINC001324424287 1053653049 /nfs/dbraw/zinc/65/30/49/1053653049.db2.gz JGGSFVZIJHIMLA-PMACEKPBSA-N 1 1 305.425 4.095 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccn1C1CC1 ZINC001324424287 1053653052 /nfs/dbraw/zinc/65/30/52/1053653052.db2.gz JGGSFVZIJHIMLA-PMACEKPBSA-N 1 1 305.425 4.095 20 30 DIEDMO Nc1ccc(C=[NH+]Nc2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC001326233716 1053766310 /nfs/dbraw/zinc/76/63/10/1053766310.db2.gz CAYGCZSIJDFIJT-UHFFFAOYSA-N 1 1 313.710 4.387 20 30 DIEDMO O=C1C=C2C[N@H+](Cc3cccc(-c4ccccc4)c3)CC[C@@H]2S1 ZINC001231507618 1053774142 /nfs/dbraw/zinc/77/41/42/1053774142.db2.gz CADIJECTUAASMK-IBGZPJMESA-N 1 1 321.445 4.128 20 30 DIEDMO O=C1C=C2C[N@@H+](Cc3cccc(-c4ccccc4)c3)CCC2S1 ZINC001231507618 1053774148 /nfs/dbraw/zinc/77/41/48/1053774148.db2.gz CADIJECTUAASMK-IBGZPJMESA-N 1 1 321.445 4.128 20 30 DIEDMO O=C1C=C2C[N@H+](Cc3cccc(-c4ccccc4)c3)CCC2S1 ZINC001231507618 1053774155 /nfs/dbraw/zinc/77/41/55/1053774155.db2.gz CADIJECTUAASMK-IBGZPJMESA-N 1 1 321.445 4.128 20 30 DIEDMO Cn1c2ccccc2c(C[N@H+]2CC[C@@H](C#N)C2)c1-c1ccccc1 ZINC001231574766 1053785927 /nfs/dbraw/zinc/78/59/27/1053785927.db2.gz ZZAWVVYZXIFCPD-INIZCTEOSA-N 1 1 315.420 4.191 20 30 DIEDMO C=CCC[N@H+](Cc1cc(Br)c[nH]1)Cc1ccccc1 ZINC001231576874 1053786122 /nfs/dbraw/zinc/78/61/22/1053786122.db2.gz OUMHXDUTVBKUTA-UHFFFAOYSA-N 1 1 319.246 4.356 20 30 DIEDMO FC1(F)CC2(C[NH+](Cc3ccccc3C#Cc3ccccc3)C2)C1 ZINC001231577394 1053788603 /nfs/dbraw/zinc/78/86/03/1053788603.db2.gz UJIBMTJAJLCVMG-UHFFFAOYSA-N 1 1 323.386 4.318 20 30 DIEDMO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001326770073 1053802088 /nfs/dbraw/zinc/80/20/88/1053802088.db2.gz JOIGHBFSBHCVHZ-WCQYABFASA-N 1 1 300.229 4.331 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(Cl)c(Cl)c2)C1 ZINC001326770073 1053802100 /nfs/dbraw/zinc/80/21/00/1053802100.db2.gz JOIGHBFSBHCVHZ-WCQYABFASA-N 1 1 300.229 4.331 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC001231620938 1053804155 /nfs/dbraw/zinc/80/41/55/1053804155.db2.gz PMXFVGNNLUZGLH-IBGZPJMESA-N 1 1 306.409 4.076 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001231619619 1053804525 /nfs/dbraw/zinc/80/45/25/1053804525.db2.gz FMJDZFPTZONKAL-LJQANCHMSA-N 1 1 320.436 4.337 20 30 DIEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc(F)cc2F)c1 ZINC001231623904 1053805287 /nfs/dbraw/zinc/80/52/87/1053805287.db2.gz ANWGSAAYPQGFCW-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(F)cc2F)c1 ZINC001231623904 1053805294 /nfs/dbraw/zinc/80/52/94/1053805294.db2.gz ANWGSAAYPQGFCW-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001231623674 1053806484 /nfs/dbraw/zinc/80/64/84/1053806484.db2.gz 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/nfs/dbraw/zinc/91/74/07/1053917407.db2.gz KUJLWRASGHXMMO-UHFFFAOYSA-N 1 1 303.425 4.358 20 30 DIEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001328381739 1053926558 /nfs/dbraw/zinc/92/65/58/1053926558.db2.gz RYRYIIYDDZEEPD-GFCCVEGCSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001328381739 1053926570 /nfs/dbraw/zinc/92/65/70/1053926570.db2.gz RYRYIIYDDZEEPD-GFCCVEGCSA-N 1 1 319.754 4.136 20 30 DIEDMO N#CCC[N@H+](Cc1cc2ccncc2[nH]1)C1CCCCCCC1 ZINC001232092780 1053959973 /nfs/dbraw/zinc/95/99/73/1053959973.db2.gz RMSXRXRYAQQAQG-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@@H+](Cc1cc2ccncc2[nH]1)C1CCCCCCC1 ZINC001232092780 1053959980 /nfs/dbraw/zinc/95/99/80/1053959980.db2.gz RMSXRXRYAQQAQG-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232116895 1053964300 /nfs/dbraw/zinc/96/43/00/1053964300.db2.gz QWCNDBUOISATRU-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1Cl ZINC001232115590 1053965476 /nfs/dbraw/zinc/96/54/76/1053965476.db2.gz VPPVUMITCWLQLK-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232116911 1053966043 /nfs/dbraw/zinc/96/60/43/1053966043.db2.gz ROJJPQIHCZNORL-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232119437 1053968014 /nfs/dbraw/zinc/96/80/14/1053968014.db2.gz YSLUSTURKBDUOK-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1Cl ZINC001232120076 1053968708 /nfs/dbraw/zinc/96/87/08/1053968708.db2.gz LZSMXKWLJXSWDY-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccc1Cl ZINC001232120076 1053968716 /nfs/dbraw/zinc/96/87/16/1053968716.db2.gz LZSMXKWLJXSWDY-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@H+](CC#Cc1ccccc1Cl)Cc1cc2ccccc2[nH]1 ZINC001329137058 1053969967 /nfs/dbraw/zinc/96/99/67/1053969967.db2.gz HAAFXKHVYMGRDM-UHFFFAOYSA-N 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ZINC001232839626 1054128432 /nfs/dbraw/zinc/12/84/32/1054128432.db2.gz ROJVNSRFGAXXBJ-UHFFFAOYSA-N 1 1 310.441 4.037 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001232844100 1054129859 /nfs/dbraw/zinc/12/98/59/1054129859.db2.gz PBNPLOIKADZIIZ-GOSISDBHSA-N 1 1 312.438 4.356 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC001232844823 1054130952 /nfs/dbraw/zinc/13/09/52/1054130952.db2.gz FJCPBQBVHACSCC-HNNXBMFYSA-N 1 1 312.438 4.008 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1Br ZINC001232899723 1054143765 /nfs/dbraw/zinc/14/37/65/1054143765.db2.gz UOAKZWGJBMHJQB-CZUORRHYSA-N 1 1 319.246 4.085 20 30 DIEDMO CCC[N@H+](Cc1ccc(Br)c(C#N)c1)CC(C)C ZINC001232898533 1054145049 /nfs/dbraw/zinc/14/50/49/1054145049.db2.gz XHLNYLKIMBWBEN-UHFFFAOYSA-N 1 1 309.251 4.189 20 30 DIEDMO N#Cc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC001232924582 1054150367 /nfs/dbraw/zinc/15/03/67/1054150367.db2.gz LWQJVXGADKZUAQ-UHFFFAOYSA-N 1 1 313.404 4.156 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cccc(SC(F)(F)F)c1 ZINC001232948544 1054155364 /nfs/dbraw/zinc/15/53/64/1054155364.db2.gz YGEKKKRMAVLGRJ-UHFFFAOYSA-N 1 1 302.365 4.424 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cccc(SC(F)(F)F)c1 ZINC001232948544 1054155369 /nfs/dbraw/zinc/15/53/69/1054155369.db2.gz YGEKKKRMAVLGRJ-UHFFFAOYSA-N 1 1 302.365 4.424 20 30 DIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C)cc3C#N)CC2)cc1 ZINC001232965856 1054159873 /nfs/dbraw/zinc/15/98/73/1054159873.db2.gz AHEQJJGAAXJPBV-UHFFFAOYSA-N 1 1 320.436 4.219 20 30 DIEDMO CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000848626908 1054170340 /nfs/dbraw/zinc/17/03/40/1054170340.db2.gz FAWZPRWEWGSKRC-HNNXBMFYSA-N 1 1 312.417 4.118 20 30 DIEDMO CC(C)(c1noc([C@@H]([NH3+])CCCCC#N)n1)C1CCCCC1 ZINC000848628111 1054170469 /nfs/dbraw/zinc/17/04/69/1054170469.db2.gz MUCPOLRKXKVMLT-AWEZNQCLSA-N 1 1 304.438 4.011 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001233082404 1054183228 /nfs/dbraw/zinc/18/32/28/1054183228.db2.gz 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DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(COc2ccccc2)cc1 ZINC001237926692 1055561392 /nfs/dbraw/zinc/56/13/92/1055561392.db2.gz RHLVAPSKABOPMG-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO N#CCC1CC[NH+](Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC001237973798 1055569401 /nfs/dbraw/zinc/56/94/01/1055569401.db2.gz XZPJNWUAVDDOPX-UHFFFAOYSA-N 1 1 315.417 4.075 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1csc(-c2ccc(O)cc2)n1 ZINC001237983303 1055574747 /nfs/dbraw/zinc/57/47/47/1055574747.db2.gz OSYFYVDMTBEGCY-UHFFFAOYSA-N 1 1 302.443 4.304 20 30 DIEDMO SC1CC[NH+](Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC001237989323 1055575835 /nfs/dbraw/zinc/57/58/35/1055575835.db2.gz STUXMXXETRJNSQ-UHFFFAOYSA-N 1 1 324.902 4.358 20 30 DIEDMO C=CC[N@H+](Cc1cc(C2CC2)cnc1OC)C1CCCCC1 ZINC001238036938 1055589788 /nfs/dbraw/zinc/58/97/88/1055589788.db2.gz UDNGHTYAQUDSAD-UHFFFAOYSA-N 1 1 300.446 4.288 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)Cc1cccc2cccnc21 ZINC001238086144 1055604088 /nfs/dbraw/zinc/60/40/88/1055604088.db2.gz XABURQQDDFPVNS-UHFFFAOYSA-N 1 1 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COC(=O)C(C)(C)C[N@@H+](CCCCC1(C#N)CCC1)CC(C)C ZINC001620539188 1055963937 /nfs/dbraw/zinc/96/39/37/1055963937.db2.gz XNXOUADCUCWMOH-UHFFFAOYSA-N 1 1 322.493 4.008 20 30 DIEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC001620573845 1055968808 /nfs/dbraw/zinc/96/88/08/1055968808.db2.gz YSBMYBBQPXNBPT-QGZVFWFLSA-N 1 1 323.411 4.250 20 30 DIEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001620591503 1055971967 /nfs/dbraw/zinc/97/19/67/1055971967.db2.gz HAQQQTXYFQXUJN-CHWSQXEVSA-N 1 1 310.363 4.445 20 30 DIEDMO CC(C)COc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC001621008540 1055975845 /nfs/dbraw/zinc/97/58/45/1055975845.db2.gz XMAZLUPVMCDAPN-UHFFFAOYSA-N 1 1 300.446 4.285 20 30 DIEDMO C[C@@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC001621051325 1056010757 /nfs/dbraw/zinc/01/07/57/1056010757.db2.gz ZSZJIUCBGYJLPV-INIZCTEOSA-N 1 1 303.409 4.081 20 30 DIEDMO C=CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001168605059 1056053367 /nfs/dbraw/zinc/05/33/67/1056053367.db2.gz 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COC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000112985748 1056671424 /nfs/dbraw/zinc/67/14/24/1056671424.db2.gz OPULZZSBCRFXQU-GOSISDBHSA-N 1 1 320.436 4.084 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001616569577 1056679586 /nfs/dbraw/zinc/67/95/86/1056679586.db2.gz MOBWNZYXQIMPNG-GOSISDBHSA-N 1 1 320.436 4.076 20 30 DIEDMO C=CCCCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC001616779449 1056715070 /nfs/dbraw/zinc/71/50/70/1056715070.db2.gz ZYIANNNXBCFOAK-KRWDZBQOSA-N 1 1 316.493 4.388 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC001616779449 1056715082 /nfs/dbraw/zinc/71/50/82/1056715082.db2.gz ZYIANNNXBCFOAK-KRWDZBQOSA-N 1 1 316.493 4.388 20 30 DIEDMO C=CCCCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC001616779449 1056715089 /nfs/dbraw/zinc/71/50/89/1056715089.db2.gz ZYIANNNXBCFOAK-KRWDZBQOSA-N 1 1 316.493 4.388 20 30 DIEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001616888525 1056732931 /nfs/dbraw/zinc/73/29/31/1056732931.db2.gz XWOPSCAGEMKHCJ-NRFANRHFSA-N 1 1 320.436 4.226 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nc2c(s1)CCCC2 ZINC000091731406 1056779256 /nfs/dbraw/zinc/77/92/56/1056779256.db2.gz SHKUYKBSWMEXIY-STQMWFEESA-N 1 1 311.454 4.305 20 30 DIEDMO CCC#C[C@H](C)[NH+]1CCC(c2ccccc2Br)CC1 ZINC001617316886 1056811832 /nfs/dbraw/zinc/81/18/32/1056811832.db2.gz IQMIIWMTMGVQCQ-AWEZNQCLSA-N 1 1 320.274 4.430 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC001617610679 1056858113 /nfs/dbraw/zinc/85/81/13/1056858113.db2.gz LCXQUZIXNRGHKC-VQIMIIECSA-N 1 1 320.436 4.253 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCOc3cccc(C#N)c3)C2)cc1 ZINC001617610963 1056858399 /nfs/dbraw/zinc/85/83/99/1056858399.db2.gz NJORAWZUOLPWSD-FXAWDEMLSA-N 1 1 320.436 4.124 20 30 DIEDMO CCCCCCCCC(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001617679612 1056867764 /nfs/dbraw/zinc/86/77/64/1056867764.db2.gz WMDVOWLHPCLNJS-BGYRXZFFSA-N 1 1 320.521 4.071 20 30 DIEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001617678529 1056867858 /nfs/dbraw/zinc/86/78/58/1056867858.db2.gz CDXVYAVCLYICBW-INIZCTEOSA-N 1 1 300.446 4.228 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC001617741967 1056876370 /nfs/dbraw/zinc/87/63/70/1056876370.db2.gz IMXMGVHGDYYHTK-HXUWFJFHSA-N 1 1 324.424 4.029 20 30 DIEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1OCCc2ccccc21 ZINC001618034694 1056917336 /nfs/dbraw/zinc/91/73/36/1056917336.db2.gz LZRJRDWOCDSFNA-LJQANCHMSA-N 1 1 312.457 4.096 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001618070538 1056920876 /nfs/dbraw/zinc/92/08/76/1056920876.db2.gz QXWFWFNABWFEHL-HXUWFJFHSA-N 1 1 320.436 4.207 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1Cc2cc(C)ccc2CC1(C)C ZINC001618140113 1056927274 /nfs/dbraw/zinc/92/72/74/1056927274.db2.gz PBGYLMIQEAUQQU-UHFFFAOYSA-N 1 1 320.436 4.212 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC001618195964 1056933116 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CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C#N)ccc1OC ZINC000532984146 1057004907 /nfs/dbraw/zinc/00/49/07/1057004907.db2.gz IGKRRBNIVPKXPJ-UHFFFAOYSA-N 1 1 320.845 4.304 20 30 DIEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000118395879 1057018214 /nfs/dbraw/zinc/01/82/14/1057018214.db2.gz SGHOWRDPHDWRJH-BEFAXECRSA-N 1 1 306.409 4.117 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000092850766 1057030591 /nfs/dbraw/zinc/03/05/91/1057030591.db2.gz VEHSTJSPXMKVHV-INIZCTEOSA-N 1 1 322.305 4.481 20 30 DIEDMO COc1cc(C#N)ccc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001241394792 1057037908 /nfs/dbraw/zinc/03/79/08/1057037908.db2.gz DILMCIPLGBTOQG-OAHLLOKOSA-N 1 1 321.424 4.003 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)OCCN3)cc1 ZINC001241466746 1057057227 /nfs/dbraw/zinc/05/72/27/1057057227.db2.gz OOYIDNHFIDZPIW-FQEVSTJZSA-N 1 1 320.436 4.481 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)NCCO3)cc1 ZINC001241494445 1057068475 /nfs/dbraw/zinc/06/84/75/1057068475.db2.gz IUESRJTUJRSXLY-HXUWFJFHSA-N 1 1 320.436 4.481 20 30 DIEDMO N#Cc1c(F)cc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001241504620 1057075074 /nfs/dbraw/zinc/07/50/74/1057075074.db2.gz WUVRURQGLKTBCV-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO CC(C)(C#N)c1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001241504361 1057075877 /nfs/dbraw/zinc/07/58/77/1057075877.db2.gz FTFLXRTXOWSEFB-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241654943 1057123333 /nfs/dbraw/zinc/12/33/33/1057123333.db2.gz IOCLCAMMRJIBJY-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(OC)ncc2F)cc1 ZINC001241665793 1057128076 /nfs/dbraw/zinc/12/80/76/1057128076.db2.gz MQMFEVCQCFAUNN-SFHVURJKSA-N 1 1 312.388 4.219 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc3[nH]nc(N)c3c2)cc1 ZINC001241735640 1057151345 /nfs/dbraw/zinc/15/13/45/1057151345.db2.gz VSLRPVQIMDLSTH-LJQANCHMSA-N 1 1 318.424 4.135 20 30 DIEDMO COc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccccc1C#N ZINC000163037933 1057156198 /nfs/dbraw/zinc/15/61/98/1057156198.db2.gz FHPKEKYVQVSQNC-IBGZPJMESA-N 1 1 308.425 4.444 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1)C(C)C ZINC000132910847 1057160853 /nfs/dbraw/zinc/16/08/53/1057160853.db2.gz WFONYXCIVWTQJT-UHFFFAOYSA-N 1 1 321.424 4.041 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000625700507 1057192398 /nfs/dbraw/zinc/19/23/98/1057192398.db2.gz JFEXRXBZDXPJSP-QGZVFWFLSA-N 1 1 308.425 4.059 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000625703116 1057192864 /nfs/dbraw/zinc/19/28/64/1057192864.db2.gz QJMURWLGFAJSDU-QGZVFWFLSA-N 1 1 308.425 4.059 20 30 DIEDMO COc1cccc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c1C#N ZINC001242298206 1057325779 /nfs/dbraw/zinc/32/57/79/1057325779.db2.gz HPZUYICFYASYKN-OAHLLOKOSA-N 1 1 321.424 4.003 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(C2=CC(=O)CC(C)(C)C2)nc1 ZINC001242316654 1057332901 /nfs/dbraw/zinc/33/29/01/1057332901.db2.gz JTCMTKKTMZEOIZ-LJQANCHMSA-N 1 1 312.457 4.401 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766111754 1057346305 /nfs/dbraw/zinc/34/63/05/1057346305.db2.gz ZCVSTXSHIGQGQA-ROUUACIJSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000766111757 1057346671 /nfs/dbraw/zinc/34/66/71/1057346671.db2.gz ZCVSTXSHIGQGQA-ZWKOTPCHSA-N 1 1 308.510 4.070 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C)c(CO)c2)cc1 ZINC001242388171 1057357395 /nfs/dbraw/zinc/35/73/95/1057357395.db2.gz LJKGNRLVHMBRES-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO CC([NH2+]Cc1ccc(C#N)o1)(c1ccccc1)c1ccccc1 ZINC000174347309 1057358618 /nfs/dbraw/zinc/35/86/18/1057358618.db2.gz ULJLRFYRCZBTRZ-UHFFFAOYSA-N 1 1 302.377 4.205 20 30 DIEDMO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1cccc(C#N)c1 ZINC000174430226 1057361771 /nfs/dbraw/zinc/36/17/71/1057361771.db2.gz NZLGSHNQNCXBSU-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO Cc1cc(C#N)ccc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001242472391 1057376435 /nfs/dbraw/zinc/37/64/35/1057376435.db2.gz YENMTTYBUUXIBO-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246573493 1057376801 /nfs/dbraw/zinc/37/68/01/1057376801.db2.gz FBFWRDSYJHRTJH-SIFCLUCFSA-N 1 1 324.399 4.220 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000246573493 1057376812 /nfs/dbraw/zinc/37/68/12/1057376812.db2.gz FBFWRDSYJHRTJH-SIFCLUCFSA-N 1 1 324.399 4.220 20 30 DIEDMO C[N@H+]1CCc2c(F)cc(-c3cc(Cl)cc(C#N)c3)cc2C1 ZINC001242571466 1057409357 /nfs/dbraw/zinc/40/93/57/1057409357.db2.gz QWRPYNCMTTUSEC-UHFFFAOYSA-N 1 1 300.764 4.006 20 30 DIEDMO C=C(CNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000675782637 1057413373 /nfs/dbraw/zinc/41/33/73/1057413373.db2.gz WHDNJTCTXWZBAP-UTKZUKDTSA-N 1 1 312.501 4.333 20 30 DIEDMO C=C(CNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000675782634 1057413562 /nfs/dbraw/zinc/41/35/62/1057413562.db2.gz WHDNJTCTXWZBAP-DYESRHJHSA-N 1 1 312.501 4.333 20 30 DIEDMO C=C(CNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000675783472 1057414053 /nfs/dbraw/zinc/41/40/53/1057414053.db2.gz ICMCFJCYZPZECR-LAUBAEHRSA-N 1 1 312.501 4.333 20 30 DIEDMO N#CCC[NH2+]Cc1ccc(-c2cccc(Br)c2)s1 ZINC000506330367 1057501513 /nfs/dbraw/zinc/50/15/13/1057501513.db2.gz DGVLZKSJDUBBNI-UHFFFAOYSA-N 1 1 321.243 4.181 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncc(C#CC)c2)cc1 ZINC001242943258 1057525267 /nfs/dbraw/zinc/52/52/67/1057525267.db2.gz XYBAUNXPGCPJIZ-NRFANRHFSA-N 1 1 302.421 4.443 20 30 DIEDMO Cc1[nH+]c(NCc2ccc(C#N)cc2F)ccc1-c1ccccc1 ZINC000567485219 1057546969 /nfs/dbraw/zinc/54/69/69/1057546969.db2.gz YHSUYYBJHWKINZ-UHFFFAOYSA-N 1 1 317.367 4.680 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2CCCc2ccccc2)ccn1 ZINC000611039102 1057580658 /nfs/dbraw/zinc/58/06/58/1057580658.db2.gz LPOKZGSCUVMDQZ-NRFANRHFSA-N 1 1 319.452 4.331 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)oc3ccccc32)c(F)c1 ZINC000611182989 1057584493 /nfs/dbraw/zinc/58/44/93/1057584493.db2.gz WEBQMTBKTFPZNX-UHFFFAOYSA-N 1 1 314.747 4.387 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259286 1057587783 /nfs/dbraw/zinc/58/77/83/1057587783.db2.gz USPFKCLZUVZBSK-HNNXBMFYSA-N 1 1 305.381 4.012 20 30 DIEDMO C[C@@H](CC#N)[N@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268535 1057587799 /nfs/dbraw/zinc/58/77/99/1057587799.db2.gz HHSBSDISXNHEEW-KRWDZBQOSA-N 1 1 317.436 4.424 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000611268535 1057587803 /nfs/dbraw/zinc/58/78/03/1057587803.db2.gz HHSBSDISXNHEEW-KRWDZBQOSA-N 1 1 317.436 4.424 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(C)c2)cc1 ZINC001243193199 1057599229 /nfs/dbraw/zinc/59/92/29/1057599229.db2.gz OASZFTUSHZKIIV-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO CCC[N@H+]1Cc2cccc(N=Cc3cc(OCC)ccc3O)c2C1 ZINC000727265629 1057645057 /nfs/dbraw/zinc/64/50/57/1057645057.db2.gz VUJOCROVSAMVRA-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000727806423 1057675684 /nfs/dbraw/zinc/67/56/84/1057675684.db2.gz XSIOODFDRGXJCM-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO CCOc1ccc(/C=[NH+]\CCCc2c[nH]c3ccccc23)c(O)c1 ZINC000730732731 1057722671 /nfs/dbraw/zinc/72/26/71/1057722671.db2.gz OSMIHKJUMHPCMT-BKUYFWCQSA-N 1 1 322.408 4.324 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731211991 1057737520 /nfs/dbraw/zinc/73/75/20/1057737520.db2.gz MNTFNDBSSCEHGY-MRXNPFEDSA-N 1 1 306.409 4.315 20 30 DIEDMO C[N@@H+](CCCCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211266 1057737828 /nfs/dbraw/zinc/73/78/28/1057737828.db2.gz DHRIXEKTIRWGJI-UHFFFAOYSA-N 1 1 308.425 4.044 20 30 DIEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(OCC#N)cc2)c(C)c1 ZINC000731211633 1057737879 /nfs/dbraw/zinc/73/78/79/1057737879.db2.gz RROZFCONSJHZAC-QGZVFWFLSA-N 1 1 308.425 4.399 20 30 DIEDMO N#CCOc1ccc(C[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC000731212222 1057737922 /nfs/dbraw/zinc/73/79/22/1057737922.db2.gz ZTNWCCSWIWJHLA-UHFFFAOYSA-N 1 1 320.436 4.391 20 30 DIEDMO CC(C)C[N@@H+](CCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211765 1057738412 /nfs/dbraw/zinc/73/84/12/1057738412.db2.gz AEGHPHLKHYLFFR-UHFFFAOYSA-N 1 1 322.452 4.290 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(OC)cc2C#N)nc1 ZINC001243726718 1057763994 /nfs/dbraw/zinc/76/39/94/1057763994.db2.gz LURCLQQYKONJGA-FQEVSTJZSA-N 1 1 321.424 4.176 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1 ZINC000733325136 1057812754 /nfs/dbraw/zinc/81/27/54/1057812754.db2.gz ZYXJVPNYDIPWEK-AWEZNQCLSA-N 1 1 315.363 4.218 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cnc3nccnc3c2)cc1 ZINC001244043082 1057846699 /nfs/dbraw/zinc/84/66/99/1057846699.db2.gz LJMJUKBVBMLOSC-LJQANCHMSA-N 1 1 316.408 4.015 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(OC)c(C#N)c2)nc1 ZINC001244708566 1058032678 /nfs/dbraw/zinc/03/26/78/1058032678.db2.gz WVHJMFPAWJORTD-LJQANCHMSA-N 1 1 321.424 4.176 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)cc2F)cc1 ZINC001244914999 1058070715 /nfs/dbraw/zinc/07/07/15/1058070715.db2.gz MNTQYKGVRJQWAG-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(O)c2OC)cc1 ZINC001244993683 1058088699 /nfs/dbraw/zinc/08/86/99/1058088699.db2.gz WDSUJLBPDQEQDA-SFHVURJKSA-N 1 1 309.409 4.391 20 30 DIEDMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(-c3ccc(C#N)cc3)cc12 ZINC001245496421 1058183924 /nfs/dbraw/zinc/18/39/24/1058183924.db2.gz VWASXWIXCJMJGM-LJQANCHMSA-N 1 1 315.420 4.343 20 30 DIEDMO CCCCCCCCCC[C@@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246022728 1058655090 /nfs/dbraw/zinc/65/50/90/1058655090.db2.gz BAXVCYFNQYZCRM-LJQANCHMSA-N 1 1 324.553 4.096 20 30 DIEDMO CCCCCCCCCCCC[C@@H](O)CN1CCC([NH3+])CC1 ZINC001246013575 1058656346 /nfs/dbraw/zinc/65/63/46/1058656346.db2.gz HLMNBWNQZJHUTL-LJQANCHMSA-N 1 1 312.542 4.081 20 30 DIEDMO CCCCCCCC[C@H](CCC)[NH2+]Cc1noc2c1CNCC2 ZINC001246132583 1058689459 /nfs/dbraw/zinc/68/94/59/1058689459.db2.gz FGAGRRZZOPDIIE-INIZCTEOSA-N 1 1 321.509 4.329 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001557975389 1058823710 /nfs/dbraw/zinc/82/37/10/1058823710.db2.gz CGHMPHATPLZFBL-DBBWNDPISA-N 1 1 320.521 4.236 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246781095 1059078026 /nfs/dbraw/zinc/07/80/26/1059078026.db2.gz XJUQOHBIARQTQZ-PMACEKPBSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@H+](C)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246781095 1059078050 /nfs/dbraw/zinc/07/80/50/1059078050.db2.gz XJUQOHBIARQTQZ-PMACEKPBSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246781095 1059078070 /nfs/dbraw/zinc/07/80/70/1059078070.db2.gz XJUQOHBIARQTQZ-PMACEKPBSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+](CCCOC)C1CCNCC1 ZINC001246837214 1059114473 /nfs/dbraw/zinc/11/44/73/1059114473.db2.gz RKBJAJVUQRFIIF-SFHVURJKSA-N 1 1 312.542 4.216 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](CCCOC)C1CCNCC1 ZINC001246837214 1059114485 /nfs/dbraw/zinc/11/44/85/1059114485.db2.gz RKBJAJVUQRFIIF-SFHVURJKSA-N 1 1 312.542 4.216 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246868651 1059142450 /nfs/dbraw/zinc/14/24/50/1059142450.db2.gz CONIMIAPBPWGMV-MJGOQNOKSA-N 1 1 304.453 4.215 20 30 DIEDMO CCCCCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC001530893367 1059177644 /nfs/dbraw/zinc/17/76/44/1059177644.db2.gz XRUNSTYHUDQKMT-KZNAEPCWSA-N 1 1 310.526 4.457 20 30 DIEDMO CCC[N@@H+](CCCc1ccccc1OC)Cc1ccc(C#N)cc1 ZINC001559484552 1059257318 /nfs/dbraw/zinc/25/73/18/1059257318.db2.gz YVZKTCWGZCPLGX-UHFFFAOYSA-N 1 1 322.452 4.412 20 30 DIEDMO C#CC[N@H+](C[C@H](OC)C1CCCCC1)[C@@H]1CCc2ccccc21 ZINC001559499208 1059285076 /nfs/dbraw/zinc/28/50/76/1059285076.db2.gz LTWFDHGXPKSIFM-RTWAWAEBSA-N 1 1 311.469 4.204 20 30 DIEDMO CC(C)[N@@H+](CC#Cc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC001559507836 1059297447 /nfs/dbraw/zinc/29/74/47/1059297447.db2.gz ZBBTWGPZADLWSU-UHFFFAOYSA-N 1 1 322.839 4.474 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCN(C(=O)OCC)CC1 ZINC001559510814 1059302011 /nfs/dbraw/zinc/30/20/11/1059302011.db2.gz XCMMNHAQAPTRKV-UHFFFAOYSA-N 1 1 312.498 4.291 20 30 DIEDMO C#CC[N@H+](Cc1cc(C)ccc1OC(F)F)C1CCCCC1 ZINC001559513863 1059309672 /nfs/dbraw/zinc/30/96/72/1059309672.db2.gz JBDMDKNMIMDJSJ-UHFFFAOYSA-N 1 1 307.384 4.364 20 30 DIEDMO C#CC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CCCCC1 ZINC001559514143 1059312962 /nfs/dbraw/zinc/31/29/62/1059312962.db2.gz SJTWYLYJKZXHDH-QFIPXVFZSA-N 1 1 321.464 4.011 20 30 DIEDMO CCC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)O ZINC001559527264 1059325624 /nfs/dbraw/zinc/32/56/24/1059325624.db2.gz ZPBHEFUEUJKTQR-UHFFFAOYSA-N 1 1 322.452 4.208 20 30 DIEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530979 1059330810 /nfs/dbraw/zinc/33/08/10/1059330810.db2.gz IQQHVRXIMFDBPF-JKSUJKDBSA-N 1 1 300.446 4.226 20 30 DIEDMO C=CC[N@H+](Cc1cccc2c1OCCO2)CC1CCCCC1 ZINC001559537622 1059337690 /nfs/dbraw/zinc/33/76/90/1059337690.db2.gz BJMBMKKCLXKCPF-UHFFFAOYSA-N 1 1 301.430 4.026 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001559566768 1059389578 /nfs/dbraw/zinc/38/95/78/1059389578.db2.gz NFRHULACKOQOOM-MGPUTAFESA-N 1 1 311.375 4.399 20 30 DIEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574397 1059404358 /nfs/dbraw/zinc/40/43/58/1059404358.db2.gz YOUZLYMECGBEQG-DLBZAZTESA-N 1 1 304.478 4.130 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001559577223 1059411453 /nfs/dbraw/zinc/41/14/53/1059411453.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 1 1 312.501 4.331 20 30 DIEDMO C=CCCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC001559577223 1059411463 /nfs/dbraw/zinc/41/14/63/1059411463.db2.gz ARFDXCPDVJJCPA-OAQYLSRUSA-N 1 1 312.501 4.331 20 30 DIEDMO Cc1ccccc1SC[C@H](C)C[N@@H+](CCC#N)CC1CC1 ZINC001559578865 1059412310 /nfs/dbraw/zinc/41/23/10/1059412310.db2.gz VKMPBSGVSFLKDL-OAHLLOKOSA-N 1 1 302.487 4.349 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC001559584546 1059418970 /nfs/dbraw/zinc/41/89/70/1059418970.db2.gz PLESDZRNKUGCDP-UHFFFAOYSA-N 1 1 316.754 4.376 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597197 1059432493 /nfs/dbraw/zinc/43/24/93/1059432493.db2.gz CNWICDQUTYWXCP-SJORKVTESA-N 1 1 304.478 4.130 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619041 1059448374 /nfs/dbraw/zinc/44/83/74/1059448374.db2.gz SRQYNLFHIXRYRI-MSOLQXFVSA-N 1 1 318.436 4.113 20 30 DIEDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559627448 1059455731 /nfs/dbraw/zinc/45/57/31/1059455731.db2.gz YNEDMIZOFQCUME-KRWDZBQOSA-N 1 1 315.417 4.257 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)c1 ZINC001559661871 1059492250 /nfs/dbraw/zinc/49/22/50/1059492250.db2.gz IQDWFSYQGKBJCR-LJQANCHMSA-N 1 1 319.452 4.188 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc(C(C)(C)[NH3+])n2)cc1 ZINC001247491413 1059501284 /nfs/dbraw/zinc/50/12/84/1059501284.db2.gz MQGAKUGDBVMZGU-UHFFFAOYSA-N 1 1 317.433 4.280 20 30 DIEDMO CC#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CCCC[C@@H]1C ZINC001559687964 1059515189 /nfs/dbraw/zinc/51/51/89/1059515189.db2.gz CHQLQWMUKVCLDG-FUHWJXTLSA-N 1 1 315.457 4.108 20 30 DIEDMO CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001559691941 1059521310 /nfs/dbraw/zinc/52/13/10/1059521310.db2.gz VWFNVALEEJEMMP-HZPDHXFCSA-N 1 1 312.498 4.287 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001559713409 1059543200 /nfs/dbraw/zinc/54/32/00/1059543200.db2.gz OSCRKMXYFQRBPI-ZDUSSCGKSA-N 1 1 314.458 4.035 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001559713409 1059543219 /nfs/dbraw/zinc/54/32/19/1059543219.db2.gz OSCRKMXYFQRBPI-ZDUSSCGKSA-N 1 1 314.458 4.035 20 30 DIEDMO C[C@@H]1CCC[C@H](CC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC001559717283 1059544856 /nfs/dbraw/zinc/54/48/56/1059544856.db2.gz IHGXRCBKGUOKPP-MBOZVWFJSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC001559717283 1059544879 /nfs/dbraw/zinc/54/48/79/1059544879.db2.gz IHGXRCBKGUOKPP-MBOZVWFJSA-N 1 1 312.457 4.148 20 30 DIEDMO CC(C)c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001559717622 1059548030 /nfs/dbraw/zinc/54/80/30/1059548030.db2.gz SOEZHLZVOSTGPD-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO CC(C)c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001559717622 1059548047 /nfs/dbraw/zinc/54/80/47/1059548047.db2.gz SOEZHLZVOSTGPD-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO C=CCCC[N@@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001559723334 1059556438 /nfs/dbraw/zinc/55/64/38/1059556438.db2.gz SKTVYLAZGBOJPF-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=CCCC[N@H+]1CCc2c(Br)ccc(Cl)c2C1 ZINC001559723334 1059556458 /nfs/dbraw/zinc/55/64/58/1059556458.db2.gz SKTVYLAZGBOJPF-UHFFFAOYSA-N 1 1 314.654 4.427 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001247622073 1059573357 /nfs/dbraw/zinc/57/33/57/1059573357.db2.gz FBNKYNARTRHKQO-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001247622072 1059574084 /nfs/dbraw/zinc/57/40/84/1059574084.db2.gz FBNKYNARTRHKQO-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001247622693 1059574379 /nfs/dbraw/zinc/57/43/79/1059574379.db2.gz QRXOODVJZPKNGU-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001247623080 1059574627 /nfs/dbraw/zinc/57/46/27/1059574627.db2.gz WZIBOXRAAXPWNI-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC001247622004 1059574720 /nfs/dbraw/zinc/57/47/20/1059574720.db2.gz CQAWHZCSYVMDGA-KRWDZBQOSA-N 1 1 321.380 4.495 20 30 DIEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001559740963 1059576413 /nfs/dbraw/zinc/57/64/13/1059576413.db2.gz UTUFXMLDHQILGD-QGZVFWFLSA-N 1 1 324.509 4.454 20 30 DIEDMO Cc1cccc([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC001559743996 1059578284 /nfs/dbraw/zinc/57/82/84/1059578284.db2.gz YTRLKJFRACVRQU-LJQANCHMSA-N 1 1 309.840 4.489 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc3cnccc3c2)no1 ZINC001247639799 1059582525 /nfs/dbraw/zinc/58/25/25/1059582525.db2.gz MWTRLZVPULUTSG-KRWDZBQOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC001247640293 1059585278 /nfs/dbraw/zinc/58/52/78/1059585278.db2.gz ZNBIGMDDIPHINA-AWEZNQCLSA-N 1 1 307.344 4.151 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc3cccnc32)no1 ZINC001247640533 1059585450 /nfs/dbraw/zinc/58/54/50/1059585450.db2.gz SZKCYKIAHAUNOY-INIZCTEOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(OC)c(Cl)c2)CCCC1(C)C ZINC001559797625 1059632175 /nfs/dbraw/zinc/63/21/75/1059632175.db2.gz VCRGNDPQTPKGRJ-HNNXBMFYSA-N 1 1 308.853 4.310 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559799306 1059636789 /nfs/dbraw/zinc/63/67/89/1059636789.db2.gz SZMGKWDACAEVTR-QGZVFWFLSA-N 1 1 301.430 4.182 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1COC2(CCCCC2)O1 ZINC001559807509 1059642332 /nfs/dbraw/zinc/64/23/32/1059642332.db2.gz GJRLGOTZGVKOTB-LJQANCHMSA-N 1 1 315.457 4.141 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001559819652 1059651752 /nfs/dbraw/zinc/65/17/52/1059651752.db2.gz BJAXRZZDZMZNPL-FQEVSTJZSA-N 1 1 311.469 4.394 20 30 DIEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2Oc2ccccc2)no1 ZINC001247963933 1059656817 /nfs/dbraw/zinc/65/68/17/1059656817.db2.gz YBTRDUWPAXUMBS-HNNXBMFYSA-N 1 1 307.353 4.105 20 30 DIEDMO C=CCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC001559926258 1059740210 /nfs/dbraw/zinc/74/02/10/1059740210.db2.gz MQJAKGYKBWNLMV-IKGGRYGDSA-N 1 1 324.509 4.214 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001559947145 1059759935 /nfs/dbraw/zinc/75/99/35/1059759935.db2.gz LYMSERRWTSHMTR-GFCCVEGCSA-N 1 1 319.235 4.387 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001559947145 1059759952 /nfs/dbraw/zinc/75/99/52/1059759952.db2.gz LYMSERRWTSHMTR-GFCCVEGCSA-N 1 1 319.235 4.387 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCc2ccccc21 ZINC001559969862 1059777470 /nfs/dbraw/zinc/77/74/70/1059777470.db2.gz SOFPYJJQBWYMOF-AWEZNQCLSA-N 1 1 310.828 4.373 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)c(OC(F)F)c1 ZINC001559970127 1059778267 /nfs/dbraw/zinc/77/82/67/1059778267.db2.gz CVQLLNBZIUIDPR-MRXNPFEDSA-N 1 1 320.383 4.314 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCc2ccccc21 ZINC001559969863 1059778402 /nfs/dbraw/zinc/77/84/02/1059778402.db2.gz SOFPYJJQBWYMOF-CQSZACIVSA-N 1 1 310.828 4.373 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)(C)C)cc2)C1 ZINC001559983068 1059790470 /nfs/dbraw/zinc/79/04/70/1059790470.db2.gz FSPHQXZQRODUCL-INIZCTEOSA-N 1 1 314.473 4.211 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC001559983476 1059790959 /nfs/dbraw/zinc/79/09/59/1059790959.db2.gz SDSGORAZZBYMTQ-OAHLLOKOSA-N 1 1 312.413 4.138 20 30 DIEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1OC ZINC001559997168 1059803050 /nfs/dbraw/zinc/80/30/50/1059803050.db2.gz PHXXAONWDPLOSP-AWEZNQCLSA-N 1 1 310.235 4.171 20 30 DIEDMO CCC[N@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1OC ZINC001560003350 1059811286 /nfs/dbraw/zinc/81/12/86/1059811286.db2.gz PNUKQGKWPXZBBL-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1OC ZINC001560003350 1059811305 /nfs/dbraw/zinc/81/13/05/1059811305.db2.gz PNUKQGKWPXZBBL-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO C=CC[N@H+](Cc1ncc(Br)cc1Cl)C(C)(C)C ZINC001560005195 1059813373 /nfs/dbraw/zinc/81/33/73/1059813373.db2.gz GNPCGDFINHLNKI-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO C=CC[N@@H+](Cc1ncc(Br)cc1Cl)C(C)(C)C ZINC001560005195 1059813395 /nfs/dbraw/zinc/81/33/95/1059813395.db2.gz GNPCGDFINHLNKI-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO C=CC[N@H+](Cc1cc(Cl)cn2ccnc12)C1CCCCC1 ZINC001248455608 1059838021 /nfs/dbraw/zinc/83/80/21/1059838021.db2.gz AKTTUTXUOOFIIS-UHFFFAOYSA-N 1 1 303.837 4.308 20 30 DIEDMO CCCCCCCC[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC001560041160 1059857296 /nfs/dbraw/zinc/85/72/96/1059857296.db2.gz IUFRAAFWPZGMSS-HNNXBMFYSA-N 1 1 300.487 4.192 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cc3)n2)C1 ZINC001248520316 1059861492 /nfs/dbraw/zinc/86/14/92/1059861492.db2.gz QCOVBCBAJNRDEG-OAHLLOKOSA-N 1 1 310.828 4.247 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCC[C@@H]1C#N ZINC001560060581 1059872544 /nfs/dbraw/zinc/87/25/44/1059872544.db2.gz QMECYVOYXBIOSP-VQIMIIECSA-N 1 1 314.473 4.377 20 30 DIEDMO Clc1ccccc1C#CC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001560065443 1059877634 /nfs/dbraw/zinc/87/76/34/1059877634.db2.gz OHCFGRFDSDFLRN-AQNXPRMDSA-N 1 1 321.851 4.427 20 30 DIEDMO Cc1ccc2c(C[N@H+](CCC#N)Cc3ccccc3)cccc2n1 ZINC001248545552 1059878300 /nfs/dbraw/zinc/87/83/00/1059878300.db2.gz GTBWXXABXZMHSA-UHFFFAOYSA-N 1 1 315.420 4.459 20 30 DIEDMO Cc1ccc2c(C[N@@H+](CCC#N)Cc3ccccc3)cccc2n1 ZINC001248545552 1059878326 /nfs/dbraw/zinc/87/83/26/1059878326.db2.gz GTBWXXABXZMHSA-UHFFFAOYSA-N 1 1 315.420 4.459 20 30 DIEDMO C=CC[C@@H](C(=O)OC)[N@@H+](CCc1ccccc1)CCC(C)(C)C ZINC001560099181 1059906915 /nfs/dbraw/zinc/90/69/15/1059906915.db2.gz DECFKJSOTNRNOK-SFHVURJKSA-N 1 1 317.473 4.085 20 30 DIEDMO N#CC(CC[N@@H+]1CC[C@@H](CF)C1)(c1ccccc1)c1ccccc1 ZINC001560103113 1059909429 /nfs/dbraw/zinc/90/94/29/1059909429.db2.gz HBABQPLZAXMDOQ-SFHVURJKSA-N 1 1 322.427 4.178 20 30 DIEDMO C[C@]1(Cc2cc(F)c(F)c(F)c2)CCC[N@H+]1CCCCC#N ZINC001560109217 1059913841 /nfs/dbraw/zinc/91/38/41/1059913841.db2.gz WLGJESPSSQHWNL-QGZVFWFLSA-N 1 1 310.363 4.195 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1Br)C(C)(C)C ZINC001560127752 1059932441 /nfs/dbraw/zinc/93/24/41/1059932441.db2.gz VNOKMRHENVACQO-GFCCVEGCSA-N 1 1 323.278 4.435 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001560133409 1059933670 /nfs/dbraw/zinc/93/36/70/1059933670.db2.gz XKKLWICUCSVZNN-MGPUTAFESA-N 1 1 306.409 4.150 20 30 DIEDMO CC#CC[N@@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001560153548 1059946812 /nfs/dbraw/zinc/94/68/12/1059946812.db2.gz JQZIFIWGHICZBR-UHFFFAOYSA-N 1 1 309.409 4.251 20 30 DIEDMO CC#CC[N@H+](C)Cc1ccccc1Oc1ccc(C)cc1OC ZINC001560153548 1059946835 /nfs/dbraw/zinc/94/68/35/1059946835.db2.gz JQZIFIWGHICZBR-UHFFFAOYSA-N 1 1 309.409 4.251 20 30 DIEDMO C=CCC1(O)CC[NH+]([C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC001560155212 1059948123 /nfs/dbraw/zinc/94/81/23/1059948123.db2.gz FOJZHSIBCHBVRV-GFCCVEGCSA-N 1 1 314.256 4.457 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(SC(F)(F)F)c1 ZINC001560154457 1059949963 /nfs/dbraw/zinc/94/99/63/1059949963.db2.gz KMBWDJHRETXEJS-SNVBAGLBSA-N 1 1 300.349 4.253 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC001248751247 1059964419 /nfs/dbraw/zinc/96/44/19/1059964419.db2.gz PHWKOKCDCQYKLP-FQEVSTJZSA-N 1 1 320.436 4.466 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001248748509 1059964564 /nfs/dbraw/zinc/96/45/64/1059964564.db2.gz LYJKPDPYKHEOJE-IBGZPJMESA-N 1 1 320.436 4.119 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC001248751622 1059965299 /nfs/dbraw/zinc/96/52/99/1059965299.db2.gz DAVUBPNDCYYNGG-OAHLLOKOSA-N 1 1 308.425 4.322 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001248751695 1059965934 /nfs/dbraw/zinc/96/59/34/1059965934.db2.gz GUAFGKJUGNXPGW-FQEVSTJZSA-N 1 1 322.477 4.411 20 30 DIEDMO C#CC[N@@H+](CCOCC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC001560171999 1059967977 /nfs/dbraw/zinc/96/79/77/1059967977.db2.gz LMIPGVHEUGYMKB-OAQYLSRUSA-N 1 1 311.469 4.206 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001248752634 1059968386 /nfs/dbraw/zinc/96/83/86/1059968386.db2.gz UIDRIKJYDUSIOJ-QPJJXVBHSA-N 1 1 305.425 4.051 20 30 DIEDMO C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC001560200187 1059981172 /nfs/dbraw/zinc/98/11/72/1059981172.db2.gz PASZMELBWAGWBG-SFHVURJKSA-N 1 1 323.436 4.212 20 30 DIEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc2ccccc21 ZINC001560204515 1059986709 /nfs/dbraw/zinc/98/67/09/1059986709.db2.gz NZZCONGLBDBQFM-UHFFFAOYSA-N 1 1 310.441 4.457 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC001560208073 1059989654 /nfs/dbraw/zinc/98/96/54/1059989654.db2.gz WKJPEUSCXDXZPV-CQSZACIVSA-N 1 1 317.816 4.159 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(CC)c(Cl)cc12 ZINC001560208073 1059989672 /nfs/dbraw/zinc/98/96/72/1059989672.db2.gz WKJPEUSCXDXZPV-CQSZACIVSA-N 1 1 317.816 4.159 20 30 DIEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001560216947 1059991359 /nfs/dbraw/zinc/99/13/59/1059991359.db2.gz DGWKZNNUMAFKGN-MOPGFXCFSA-N 1 1 317.521 4.045 20 30 DIEDMO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC1(C#N)CCCCC1 ZINC001560216947 1059991377 /nfs/dbraw/zinc/99/13/77/1059991377.db2.gz DGWKZNNUMAFKGN-MOPGFXCFSA-N 1 1 317.521 4.045 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H](CNCc1nccc2ccccc21)C(C)C ZINC001560261686 1060031433 /nfs/dbraw/zinc/03/14/33/1060031433.db2.gz DESNXDXNCSHESA-NRFANRHFSA-N 1 1 323.484 4.023 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC001525866756 1060059597 /nfs/dbraw/zinc/05/95/97/1060059597.db2.gz SOMHEBARUDJGGB-QZTJIDSGSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001526026383 1060110029 /nfs/dbraw/zinc/11/00/29/1060110029.db2.gz LYUPFFPIZCAFLI-KRWDZBQOSA-N 1 1 324.896 4.419 20 30 DIEDMO CCCC[N@H+](C)c1ccc(NCc2ccc(C#N)c(OC)c2)cc1 ZINC001560375588 1060163172 /nfs/dbraw/zinc/16/31/72/1060163172.db2.gz MQLJPEWVMKUYFK-UHFFFAOYSA-N 1 1 323.440 4.415 20 30 DIEDMO CCCC[N@@H+](C)c1ccc(NCc2ccc(C#N)c(OC)c2)cc1 ZINC001560375588 1060163181 /nfs/dbraw/zinc/16/31/81/1060163181.db2.gz MQLJPEWVMKUYFK-UHFFFAOYSA-N 1 1 323.440 4.415 20 30 DIEDMO C=C[C@@H](COC)[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC001560448120 1060239965 /nfs/dbraw/zinc/23/99/65/1060239965.db2.gz SJAXYBFCDKVVTC-LBPRGKRZSA-N 1 1 318.244 4.071 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cc1 ZINC001249429503 1060245632 /nfs/dbraw/zinc/24/56/32/1060245632.db2.gz DTCKHEWSCUZGIM-CQSZACIVSA-N 1 1 319.408 4.241 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)Cc2ccccc21 ZINC001249426477 1060246028 /nfs/dbraw/zinc/24/60/28/1060246028.db2.gz SQMJILWGWDJWGY-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc3ccc(C#N)cc3[nH]2)cn1 ZINC001249430244 1060246991 /nfs/dbraw/zinc/24/69/91/1060246991.db2.gz JEHKJEGCDWFGSL-HXUWFJFHSA-N 1 1 316.408 4.080 20 30 DIEDMO C=CC[N@H+](Cc1cccc2cnc(SCC)n21)C(C)(C)C ZINC001249501433 1060264929 /nfs/dbraw/zinc/26/49/29/1060264929.db2.gz VLYPMXXIOQDSKZ-UHFFFAOYSA-N 1 1 303.475 4.233 20 30 DIEDMO N#Cc1ccc(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)cc1 ZINC001249529911 1060276186 /nfs/dbraw/zinc/27/61/86/1060276186.db2.gz MXUBABSGVMGQLZ-UHFFFAOYSA-N 1 1 323.465 4.272 20 30 DIEDMO N#Cc1cccc(C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)c1 ZINC001249528880 1060276500 /nfs/dbraw/zinc/27/65/00/1060276500.db2.gz FNRMWWNQVJZEKO-UHFFFAOYSA-N 1 1 323.465 4.272 20 30 DIEDMO Cc1[nH+]cc(CNc2ccc(Oc3ccccc3)c(C#N)c2)n1C ZINC001560498491 1060293517 /nfs/dbraw/zinc/29/35/17/1060293517.db2.gz KVPNLQWYVQGPFA-UHFFFAOYSA-N 1 1 318.380 4.005 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)c1F ZINC001249687563 1060346629 /nfs/dbraw/zinc/34/66/29/1060346629.db2.gz ITFKGWDSOGIDEL-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO C=CCOc1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2F)c1 ZINC001560568702 1060377842 /nfs/dbraw/zinc/37/78/42/1060377842.db2.gz XNBBUSBVXZBIRL-UXHICEINSA-N 1 1 311.400 4.367 20 30 DIEDMO Cc1cc(Nc2sc(Cc3ccccc3)cc2C#N)c[nH+]c1N ZINC001249778483 1060396401 /nfs/dbraw/zinc/39/64/01/1060396401.db2.gz HPNFNKGCBLKPSD-UHFFFAOYSA-N 1 1 320.421 4.240 20 30 DIEDMO Cc1ccc2[nH]c(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc2c1 ZINC001249839860 1060415185 /nfs/dbraw/zinc/41/51/85/1060415185.db2.gz GPSZEKODJXUSSM-UHFFFAOYSA-N 1 1 322.437 4.141 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)ccc1C#N ZINC001560631892 1060445101 /nfs/dbraw/zinc/44/51/01/1060445101.db2.gz LGBWUSYPAWAXDE-OXJNMPFZSA-N 1 1 320.436 4.192 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+](C)CCC2CC2)cc1OC ZINC001560640435 1060457746 /nfs/dbraw/zinc/45/77/46/1060457746.db2.gz QBKGUHWEIWLBJS-UHFFFAOYSA-N 1 1 309.837 4.145 20 30 DIEDMO COc1ccc(C[N@H+](CCC#N)C2CCCCCCC2)nc1C ZINC001249902152 1060466671 /nfs/dbraw/zinc/46/66/71/1060466671.db2.gz MREAKKDVOBXVQU-UHFFFAOYSA-N 1 1 315.461 4.227 20 30 DIEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCCCCC2)nc1C ZINC001249902152 1060466679 /nfs/dbraw/zinc/46/66/79/1060466679.db2.gz MREAKKDVOBXVQU-UHFFFAOYSA-N 1 1 315.461 4.227 20 30 DIEDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)ccc1C#N ZINC001560658856 1060483200 /nfs/dbraw/zinc/48/32/00/1060483200.db2.gz NSHPACGDCXWJRP-IBGZPJMESA-N 1 1 306.409 4.150 20 30 DIEDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2ccccc2)ccc1C#N ZINC001560658856 1060483213 /nfs/dbraw/zinc/48/32/13/1060483213.db2.gz NSHPACGDCXWJRP-IBGZPJMESA-N 1 1 306.409 4.150 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+](C(C)C)C2CC2)cc1OC ZINC001560684085 1060527214 /nfs/dbraw/zinc/52/72/14/1060527214.db2.gz 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N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c(F)c1 ZINC001560818606 1060677495 /nfs/dbraw/zinc/67/74/95/1060677495.db2.gz PLMNFCBTFUGDQJ-SFHLNBCPSA-N 1 1 320.411 4.465 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2c(OC)c1)c1ccc(F)cc1 ZINC001560852240 1060710862 /nfs/dbraw/zinc/71/08/62/1060710862.db2.gz DCWSXXYMUSBCQC-FQEVSTJZSA-N 1 1 319.379 4.452 20 30 DIEDMO CC(C)Oc1c(F)cc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001250297984 1060762197 /nfs/dbraw/zinc/76/21/97/1060762197.db2.gz WZIPZNGYNNHZRK-UHFFFAOYSA-N 1 1 317.857 4.161 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(C)Cc2ccc(F)cc2)cc1 ZINC001560893317 1060758095 /nfs/dbraw/zinc/75/80/95/1060758095.db2.gz LIAKRSZUGNLGLJ-NRFANRHFSA-N 1 1 307.412 4.404 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC001560911512 1060772291 /nfs/dbraw/zinc/77/22/91/1060772291.db2.gz FJISQMWGJDAJLS-YPAWHYETSA-N 1 1 317.432 4.163 20 30 DIEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCc2ccc(Cl)cc21 ZINC001560916642 1060780319 /nfs/dbraw/zinc/78/03/19/1060780319.db2.gz SJKOFVPJSRPBQU-MRXNPFEDSA-N 1 1 309.840 4.353 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](CC=C)C1 ZINC001560922943 1060788530 /nfs/dbraw/zinc/78/85/30/1060788530.db2.gz MLXYPELKJMZUPW-HNNXBMFYSA-N 1 1 303.833 4.140 20 30 DIEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1Br ZINC001473203621 1060971304 /nfs/dbraw/zinc/97/13/04/1060971304.db2.gz HDDAHZHGCBQZOP-GFCCVEGCSA-N 1 1 309.251 4.189 20 30 DIEDMO C=C(C)C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC001473208547 1060975379 /nfs/dbraw/zinc/97/53/79/1060975379.db2.gz QYZDGEHFATUPDU-ZDUSSCGKSA-N 1 1 300.229 4.413 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C(C)C)[C@@H]1C(C)C ZINC001462237183 1061048514 /nfs/dbraw/zinc/04/85/14/1061048514.db2.gz ZXWVIRCPVWRSGP-KXBFYZLASA-N 1 1 319.876 4.464 20 30 DIEDMO C=CCC[C@@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)OCC ZINC001462246827 1061053047 /nfs/dbraw/zinc/05/30/47/1061053047.db2.gz HBHVQHBFCFKZGG-OFLPRAFFSA-N 1 1 309.494 4.469 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286782 1061058537 /nfs/dbraw/zinc/05/85/37/1061058537.db2.gz HMJSOGZDSWTAKC-QWHCGFSZSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286782 1061058550 /nfs/dbraw/zinc/05/85/50/1061058550.db2.gz HMJSOGZDSWTAKC-QWHCGFSZSA-N 1 1 312.363 4.344 20 30 DIEDMO CC(C)CSCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001473304776 1061068713 /nfs/dbraw/zinc/06/87/13/1061068713.db2.gz SDWDRBITFJHGCC-UHFFFAOYSA-N 1 1 302.487 4.302 20 30 DIEDMO C[C@@H](CCO)[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccc1 ZINC001473307058 1061072938 /nfs/dbraw/zinc/07/29/38/1061072938.db2.gz FJVZMOPWTRCBAA-SFHVURJKSA-N 1 1 314.473 4.124 20 30 DIEDMO C=CC[N@@H+](CCCOc1cccc(Cl)c1)CCc1ccco1 ZINC001473318123 1061082403 /nfs/dbraw/zinc/08/24/03/1061082403.db2.gz OFARPQIHHSVOLC-UHFFFAOYSA-N 1 1 319.832 4.433 20 30 DIEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@H]1CC(C)(C)OC1(C)C ZINC001473336773 1061098066 /nfs/dbraw/zinc/09/80/66/1061098066.db2.gz YWHZDCCVUHHJDO-SFHVURJKSA-N 1 1 317.473 4.037 20 30 DIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001462337028 1061112593 /nfs/dbraw/zinc/11/25/93/1061112593.db2.gz XMNDIMTXSAOXHB-XLIONFOSSA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374539 1061118384 /nfs/dbraw/zinc/11/83/84/1061118384.db2.gz KUYRFHGPMBDMKC-GWCFXTLKSA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374539 1061118391 /nfs/dbraw/zinc/11/83/91/1061118391.db2.gz KUYRFHGPMBDMKC-GWCFXTLKSA-N 1 1 316.754 4.374 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C ZINC001473382900 1061124588 /nfs/dbraw/zinc/12/45/88/1061124588.db2.gz DGBSHOQXQUVNBT-QFBILLFUSA-N 1 1 300.446 4.228 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C ZINC001473382901 1061125404 /nfs/dbraw/zinc/12/54/04/1061125404.db2.gz DGBSHOQXQUVNBT-VQIMIIECSA-N 1 1 300.446 4.228 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366082 1061129863 /nfs/dbraw/zinc/12/98/63/1061129863.db2.gz VSAXZMNMUFINBP-LSDHHAIUSA-N 1 1 306.409 4.075 20 30 DIEDMO C=CCC[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC001473391832 1061131748 /nfs/dbraw/zinc/13/17/48/1061131748.db2.gz VSWJPYILCMLYHC-UHFFFAOYSA-N 1 1 301.352 4.372 20 30 DIEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422149 1061151436 /nfs/dbraw/zinc/15/14/36/1061151436.db2.gz MHGRAWUUMMOXSS-OAHLLOKOSA-N 1 1 322.399 4.418 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)s2)C1 ZINC001462413139 1061157501 /nfs/dbraw/zinc/15/75/01/1061157501.db2.gz JKINNXPSAHHVRA-AWEZNQCLSA-N 1 1 321.486 4.492 20 30 DIEDMO C=C(Br)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001473452104 1061168327 /nfs/dbraw/zinc/16/83/27/1061168327.db2.gz KIBHDEYULXGYOJ-ARFHVFGLSA-N 1 1 306.247 4.163 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC001473454941 1061170690 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DIEDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC001473524362 1061222998 /nfs/dbraw/zinc/22/29/98/1061222998.db2.gz RRWRKIMVPIOQFK-ZDUSSCGKSA-N 1 1 321.852 4.051 20 30 DIEDMO Cc1cc(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)ccc1C#N ZINC001462518646 1061227982 /nfs/dbraw/zinc/22/79/82/1061227982.db2.gz DHGNOYMWJIJOTA-UHFFFAOYSA-N 1 1 310.828 4.387 20 30 DIEDMO Cc1cc(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)ccc1C#N ZINC001462518646 1061228003 /nfs/dbraw/zinc/22/80/03/1061228003.db2.gz DHGNOYMWJIJOTA-UHFFFAOYSA-N 1 1 310.828 4.387 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001473573353 1061263701 /nfs/dbraw/zinc/26/37/01/1061263701.db2.gz NDRBACZKYVNULT-VQIMIIECSA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC001473582364 1061272197 /nfs/dbraw/zinc/27/21/97/1061272197.db2.gz UZZHDQWIEVEZDA-OAQYLSRUSA-N 1 1 322.427 4.489 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCC[C@H]3O[C@@H](c4ccccc4)C[C@H]32)CC1 ZINC001473603413 1061279418 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C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(Cl)cc1Cl ZINC001473661900 1061324137 /nfs/dbraw/zinc/32/41/37/1061324137.db2.gz DMRUIXVNFNVBFI-DVOMOZLQSA-N 1 1 312.240 4.210 20 30 DIEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675711 1061335845 /nfs/dbraw/zinc/33/58/45/1061335845.db2.gz WMKYLAKRLCHRHJ-QFBILLFUSA-N 1 1 324.509 4.336 20 30 DIEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001473673840 1061336864 /nfs/dbraw/zinc/33/68/64/1061336864.db2.gz KAFGXYHMRCHPAN-UHFFFAOYSA-N 1 1 315.461 4.003 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676126 1061338161 /nfs/dbraw/zinc/33/81/61/1061338161.db2.gz KOVABPCZFVQMDA-VQIMIIECSA-N 1 1 322.493 4.112 20 30 DIEDMO CCC#C[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC001473682004 1061340361 /nfs/dbraw/zinc/34/03/61/1061340361.db2.gz VTVSDWJFTIUPGV-NXEZZACHSA-N 1 1 304.743 4.206 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001473732213 1061378717 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322.493 4.066 20 30 DIEDMO CC(C)c1ccc(O)c(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001474675634 1062405911 /nfs/dbraw/zinc/40/59/11/1062405911.db2.gz ZWCKJCMZZXFMNQ-UHFFFAOYSA-N 1 1 308.425 4.062 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001459798502 1062407128 /nfs/dbraw/zinc/40/71/28/1062407128.db2.gz SRPPWTMASDUPCV-VQTJNVASSA-N 1 1 301.474 4.191 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]2CCCC[C@@H]21 ZINC001459805578 1062412714 /nfs/dbraw/zinc/41/27/14/1062412714.db2.gz GZRNOMMIQYJYIL-DAXOMENPSA-N 1 1 320.383 4.170 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC2CCC(C#N)CC2)c1 ZINC001459812260 1062415105 /nfs/dbraw/zinc/41/51/05/1062415105.db2.gz DEJYHERWKHNQGL-QVUWHDNHSA-N 1 1 312.457 4.408 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](C1CCC(C(F)(F)F)CC1)CC2 ZINC001255514056 1062470313 /nfs/dbraw/zinc/47/03/13/1062470313.db2.gz FHLGNGVPMRKNDC-UHFFFAOYSA-N 1 1 308.347 4.037 20 30 DIEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001459892924 1062478086 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C=CCCCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001459943113 1062511521 /nfs/dbraw/zinc/51/15/21/1062511521.db2.gz BWIPMAGMWXXSFC-QGZVFWFLSA-N 1 1 322.880 4.195 20 30 DIEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC001459997444 1062556681 /nfs/dbraw/zinc/55/66/81/1062556681.db2.gz MHSLQCJWPBUUQV-INIZCTEOSA-N 1 1 313.363 4.435 20 30 DIEDMO CCC#C[C@H](C)[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001460002182 1062559727 /nfs/dbraw/zinc/55/97/27/1062559727.db2.gz KZBHNIAOXYPAEC-XJKSGUPXSA-N 1 1 313.338 4.378 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC001460002182 1062559743 /nfs/dbraw/zinc/55/97/43/1062559743.db2.gz KZBHNIAOXYPAEC-XJKSGUPXSA-N 1 1 313.338 4.378 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC001460081434 1062622503 /nfs/dbraw/zinc/62/25/03/1062622503.db2.gz ZDWDAMLXLFLRKJ-KRWDZBQOSA-N 1 1 303.446 4.285 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCCC1(C)C ZINC001460085675 1062623736 /nfs/dbraw/zinc/62/37/36/1062623736.db2.gz IHPNAUQBBIDAPX-INIZCTEOSA-N 1 1 305.462 4.366 20 30 DIEDMO C=C(Br)C[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC001460086729 1062628628 /nfs/dbraw/zinc/62/86/28/1062628628.db2.gz WIDIRUDPYKZIDC-WFASDCNBSA-N 1 1 324.262 4.377 20 30 DIEDMO C=C(Br)C[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC001460086729 1062628637 /nfs/dbraw/zinc/62/86/37/1062628637.db2.gz WIDIRUDPYKZIDC-WFASDCNBSA-N 1 1 324.262 4.377 20 30 DIEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC001460135149 1062654574 /nfs/dbraw/zinc/65/45/74/1062654574.db2.gz MPGAQDNXBQVXLN-FQEVSTJZSA-N 1 1 320.436 4.207 20 30 DIEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCOc1ccccc1C#N)C2 ZINC001460139391 1062658091 /nfs/dbraw/zinc/65/80/91/1062658091.db2.gz LJHWCSTXZYCLDA-UHFFFAOYSA-N 1 1 320.436 4.082 20 30 DIEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC001460140730 1062658644 /nfs/dbraw/zinc/65/86/44/1062658644.db2.gz CVCDCKNSXQPOOV-QGZVFWFLSA-N 1 1 320.864 4.169 20 30 DIEDMO C=CCC[N@@H+]1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460146723 1062663879 /nfs/dbraw/zinc/66/38/79/1062663879.db2.gz VNBLFIVRPWQALC-OAQYLSRUSA-N 1 1 314.517 4.228 20 30 DIEDMO C=CCCN1CC[N@@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460146723 1062663893 /nfs/dbraw/zinc/66/38/93/1062663893.db2.gz VNBLFIVRPWQALC-OAQYLSRUSA-N 1 1 314.517 4.228 20 30 DIEDMO C=CCCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC001460146723 1062663905 /nfs/dbraw/zinc/66/39/05/1062663905.db2.gz VNBLFIVRPWQALC-OAQYLSRUSA-N 1 1 314.517 4.228 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC)C2)cc1 ZINC001460169966 1062675850 /nfs/dbraw/zinc/67/58/50/1062675850.db2.gz ZUJMOUOYVDTCTL-IBGZPJMESA-N 1 1 320.436 4.119 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1c(F)cccc1F ZINC001460276985 1062749189 /nfs/dbraw/zinc/74/91/89/1062749189.db2.gz HGRYBGRSOSARKV-CYBMUJFWSA-N 1 1 300.352 4.072 20 30 DIEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCc2ccc(F)cc21 ZINC001460331950 1062785154 /nfs/dbraw/zinc/78/51/54/1062785154.db2.gz HQBKRRQLUGMUST-FHERZECASA-N 1 1 300.421 4.117 20 30 DIEDMO 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313.470 4.180 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000497262217 333228808 /nfs/dbraw/zinc/22/88/08/333228808.db2.gz ONVBLWHZUUDEDB-UHFFFAOYSA-N 1 1 310.441 4.285 20 30 DIEDMO CC[N@@H+](CCOc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593555 333267367 /nfs/dbraw/zinc/26/73/67/333267367.db2.gz DTYMVPGYMKFVGY-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497617466 333270128 /nfs/dbraw/zinc/27/01/28/333270128.db2.gz DRPVFRDCSLVHKC-MRXNPFEDSA-N 1 1 308.425 4.192 20 30 DIEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357988 333298462 /nfs/dbraw/zinc/29/84/62/333298462.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 1 1 319.537 4.293 20 30 DIEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357988 333298463 /nfs/dbraw/zinc/29/84/63/333298463.db2.gz WUPBEYNSTWGVLW-RBUKOAKNSA-N 1 1 319.537 4.293 20 30 DIEDMO CC[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000365489981 333407798 /nfs/dbraw/zinc/40/77/98/333407798.db2.gz GTAUFUDSBBDPTJ-SFHVURJKSA-N 1 1 317.392 4.454 20 30 DIEDMO COc1cccc([C@H](Cc2cc(C)cc(C)c2)[NH2+]CCC#N)c1 ZINC000411468950 333677619 /nfs/dbraw/zinc/67/76/19/333677619.db2.gz DSRXKOMNKIKEGN-FQEVSTJZSA-N 1 1 308.425 4.099 20 30 DIEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000414141971 333902166 /nfs/dbraw/zinc/90/21/66/333902166.db2.gz IPQSMPNCMTWYPJ-UONOGXRCSA-N 1 1 312.388 4.426 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)c(F)c1)c1nc2c(s1)CCC2 ZINC000414157119 333914233 /nfs/dbraw/zinc/91/42/33/333914233.db2.gz RFGLMGQOYYTBJA-GHMZBOCLSA-N 1 1 315.417 4.054 20 30 DIEDMO N#CCCCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)c[nH]1 ZINC000276412373 334077432 /nfs/dbraw/zinc/07/74/32/334077432.db2.gz HDYZCLHMOGUEMY-SFHVURJKSA-N 1 1 308.429 4.298 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000281942578 334129827 /nfs/dbraw/zinc/12/98/27/334129827.db2.gz IWZXSPXGRRXCMZ-MRXNPFEDSA-N 1 1 318.486 4.158 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCCC[C@@H]2c2ccco2)CCOCC1 ZINC000281962036 334129908 /nfs/dbraw/zinc/12/99/08/334129908.db2.gz KMLVHDFSQUEDLG-QGZVFWFLSA-N 1 1 316.445 4.297 20 30 DIEDMO CC(C)(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282090835 334131176 /nfs/dbraw/zinc/13/11/76/334131176.db2.gz VGEXARDXZUHYQI-UHFFFAOYSA-N 1 1 314.473 4.388 20 30 DIEDMO N#CCCCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292758555 334191893 /nfs/dbraw/zinc/19/18/93/334191893.db2.gz SEOXEJBRUKXETN-OAHLLOKOSA-N 1 1 321.262 4.007 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562540 334199188 /nfs/dbraw/zinc/19/91/88/334199188.db2.gz MGGZYVUIHDSKOP-IVMMDQJWSA-N 1 1 306.862 4.199 20 30 DIEDMO Cc1nc(-c2cc3c(s2)CC[N@H+]([C@@H](C)CCC#N)C3)cs1 ZINC000299713563 334257638 /nfs/dbraw/zinc/25/76/38/334257638.db2.gz QVVWHFWAIUUDSF-NSHDSACASA-N 1 1 317.483 4.230 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000187699468 334268642 /nfs/dbraw/zinc/26/86/42/334268642.db2.gz MTXDWKHPARRRJG-QEEYODRMSA-N 1 1 324.399 4.220 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000187699468 334268644 /nfs/dbraw/zinc/26/86/44/334268644.db2.gz MTXDWKHPARRRJG-QEEYODRMSA-N 1 1 324.399 4.220 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809324 334328094 /nfs/dbraw/zinc/32/80/94/334328094.db2.gz YOXMEDPHJQNQFN-RDJZCZTQSA-N 1 1 308.400 4.384 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(COC)cc1 ZINC000535076243 334365249 /nfs/dbraw/zinc/36/52/49/334365249.db2.gz YNRPACFSVABMQJ-UHFFFAOYSA-N 1 1 308.425 4.117 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1OCCCC#N ZINC000535085115 334366965 /nfs/dbraw/zinc/36/69/65/334366965.db2.gz RRLYRYSKPIVIKN-HNNXBMFYSA-N 1 1 318.461 4.244 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1OCCCC#N ZINC000535085116 334366985 /nfs/dbraw/zinc/36/69/85/334366985.db2.gz RRLYRYSKPIVIKN-OAHLLOKOSA-N 1 1 318.461 4.244 20 30 DIEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1 ZINC000128586614 334898098 /nfs/dbraw/zinc/89/80/98/334898098.db2.gz VGYSIUDWEBTVKM-AWEZNQCLSA-N 1 1 314.454 4.129 20 30 DIEDMO COc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)ccc1C#N ZINC000366928784 335374207 /nfs/dbraw/zinc/37/42/07/335374207.db2.gz WDUCMLZVRKMYLA-FQEVSTJZSA-N 1 1 318.376 4.039 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccn1-c1ccccc1 ZINC000346956943 335453417 /nfs/dbraw/zinc/45/34/17/335453417.db2.gz HJNAZXDFVPVGRF-JKSUJKDBSA-N 1 1 316.408 4.156 20 30 DIEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)Cc1ccccc1 ZINC000351584001 336047237 /nfs/dbraw/zinc/04/72/37/336047237.db2.gz RXRZPDPXYGCGMN-UHFFFAOYSA-N 1 1 307.397 4.166 20 30 DIEDMO CCc1nc2cc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)ccc2o1 ZINC000330309175 336146405 /nfs/dbraw/zinc/14/64/05/336146405.db2.gz UAHQHTFKRGXOTO-AWEZNQCLSA-N 1 1 315.417 4.243 20 30 DIEDMO CCc1nc2cc(NC(=O)CC[C@H]3CCCC[N@H+]3C)ccc2o1 ZINC000330309176 336146550 /nfs/dbraw/zinc/14/65/50/336146550.db2.gz UAHQHTFKRGXOTO-CQSZACIVSA-N 1 1 315.417 4.243 20 30 DIEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)on1 ZINC000331822903 336149878 /nfs/dbraw/zinc/14/98/78/336149878.db2.gz MMPYRTHVDQUGRV-KRWDZBQOSA-N 1 1 309.413 4.121 20 30 DIEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180168 336161870 /nfs/dbraw/zinc/16/18/70/336161870.db2.gz VJWSXVRDQFLQLA-MRXNPFEDSA-N 1 1 324.428 4.009 20 30 DIEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000532553504 336255296 /nfs/dbraw/zinc/25/52/96/336255296.db2.gz GEQKZAVILHHFRF-IAGOWNOFSA-N 1 1 322.452 4.058 20 30 DIEDMO CC1(C)CC[C@@H]2C[C@H]([NH2+]Cc3nc(C#N)cs3)c3cccc1c32 ZINC000352820408 336255575 /nfs/dbraw/zinc/25/55/75/336255575.db2.gz AJOQOMOTKVBJIJ-WBMJQRKESA-N 1 1 323.465 4.404 20 30 DIEDMO CN(C)c1ccccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000532590380 336256720 /nfs/dbraw/zinc/25/67/20/336256720.db2.gz WETVWRSXSNDXOH-FPOVZHCZSA-N 1 1 319.452 4.024 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000532574401 336256855 /nfs/dbraw/zinc/25/68/55/336256855.db2.gz GMJNTXYEHZLMGI-LJQANCHMSA-N 1 1 308.425 4.264 20 30 DIEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(F)cc1C#N ZINC000301349938 336301962 /nfs/dbraw/zinc/30/19/62/336301962.db2.gz IMVGOJOWRIFSIZ-UHFFFAOYSA-N 1 1 311.404 4.150 20 30 DIEDMO CC[C@@H](C#N)Oc1cccc(CNc2cc[nH+]cc2Cl)c1 ZINC000301542394 336313568 /nfs/dbraw/zinc/31/35/68/336313568.db2.gz VSMZZYOMYOYVKJ-ZDUSSCGKSA-N 1 1 301.777 4.028 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000301998742 336342286 /nfs/dbraw/zinc/34/22/86/336342286.db2.gz QVWBEQXQCCOIQE-OAHLLOKOSA-N 1 1 306.413 4.071 20 30 DIEDMO C=CCO[C@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000302183917 336352890 /nfs/dbraw/zinc/35/28/90/336352890.db2.gz SQIYSIFKVKUZKC-ZDUSSCGKSA-N 1 1 322.330 4.035 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCC(F)(F)C3)CC2)cc1 ZINC000514129702 336374858 /nfs/dbraw/zinc/37/48/58/336374858.db2.gz AHFAWTDPXGLNBC-INIZCTEOSA-N 1 1 316.395 4.473 20 30 DIEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000514638490 336387286 /nfs/dbraw/zinc/38/72/86/336387286.db2.gz ARDSQZYKKSRPOL-ZDUSSCGKSA-N 1 1 316.392 4.150 20 30 DIEDMO N#Cc1c(F)ccc(CNc2cc(C3CC3)cc[nH+]2)c1Cl ZINC000353077193 336396166 /nfs/dbraw/zinc/39/61/66/336396166.db2.gz DPOKWJCCGYCFQW-UHFFFAOYSA-N 1 1 301.752 4.235 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(F)c(F)c1 ZINC000359968295 336695865 /nfs/dbraw/zinc/69/58/65/336695865.db2.gz AZOIPBXLNPKQEH-KZULUSFZSA-N 1 1 317.383 4.340 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000375404373 337010534 /nfs/dbraw/zinc/01/05/34/337010534.db2.gz MCYMVKOIEPYDTN-RTBURBONSA-N 1 1 309.457 4.478 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000375404364 337010582 /nfs/dbraw/zinc/01/05/82/337010582.db2.gz MCYMVKOIEPYDTN-MOPGFXCFSA-N 1 1 309.457 4.478 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000123120015 337038090 /nfs/dbraw/zinc/03/80/90/337038090.db2.gz GXCJVCUHBCECNT-CYBMUJFWSA-N 1 1 310.228 4.259 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C#N)CCC#N ZINC000123120015 337038091 /nfs/dbraw/zinc/03/80/91/337038091.db2.gz GXCJVCUHBCECNT-CYBMUJFWSA-N 1 1 310.228 4.259 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000377717258 337059554 /nfs/dbraw/zinc/05/95/54/337059554.db2.gz NVNQIXPQVGFZCE-QFIPXVFZSA-N 1 1 312.416 4.251 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)s1 ZINC000378002278 337064944 /nfs/dbraw/zinc/06/49/44/337064944.db2.gz LBYRGQBQQDYOBO-GOSISDBHSA-N 1 1 323.396 4.033 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)c1 ZINC000378125959 337066764 /nfs/dbraw/zinc/06/67/64/337066764.db2.gz GVUZUNZLIFKKOU-UHFFFAOYSA-N 1 1 323.396 4.111 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000177857437 337160755 /nfs/dbraw/zinc/16/07/55/337160755.db2.gz LOSJZJASUABRND-QGZVFWFLSA-N 1 1 304.315 4.216 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000185148035 337202327 /nfs/dbraw/zinc/20/23/27/337202327.db2.gz NFTPRZVHXZUZEV-JXFKEZNVSA-N 1 1 305.425 4.000 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000583010171 337228594 /nfs/dbraw/zinc/22/85/94/337228594.db2.gz OJSHRCPLHDQELG-CQSZACIVSA-N 1 1 305.384 4.024 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)NCC[N@H+](C)C(C)C ZINC000191514641 337298713 /nfs/dbraw/zinc/29/87/13/337298713.db2.gz PLIRYQKZBVIMSM-UHFFFAOYSA-N 1 1 317.477 4.000 20 30 DIEDMO C[C@@H](Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1cccc(C#N)c1 ZINC000525952172 337307614 /nfs/dbraw/zinc/30/76/14/337307614.db2.gz IYSJZYZBFFPHBN-MRXNPFEDSA-N 1 1 319.452 4.368 20 30 DIEDMO C=CCCCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445297403 337389331 /nfs/dbraw/zinc/38/93/31/337389331.db2.gz VULRWLRWEGXFDL-UHFFFAOYSA-N 1 1 306.416 4.081 20 30 DIEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000120903466 337396136 /nfs/dbraw/zinc/39/61/36/337396136.db2.gz CZFUPAPNCBDTNI-RDJZCZTQSA-N 1 1 324.428 4.009 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1c(C)nsc1C)c1ccc(F)c(F)c1 ZINC000564096742 337453955 /nfs/dbraw/zinc/45/39/55/337453955.db2.gz PSDHPSLUOKORBG-INIZCTEOSA-N 1 1 308.397 4.445 20 30 DIEDMO CC(C)COC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000572447295 337649477 /nfs/dbraw/zinc/64/94/77/337649477.db2.gz DFOUQLCGSTZKKO-OALUTQOASA-N 1 1 324.424 4.142 20 30 DIEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1F ZINC000527971286 337781586 /nfs/dbraw/zinc/78/15/86/337781586.db2.gz ZOYYBFLLNFECKH-BFUOFWGJSA-N 1 1 309.388 4.284 20 30 DIEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1F ZINC000527971287 337781605 /nfs/dbraw/zinc/78/16/05/337781605.db2.gz ZOYYBFLLNFECKH-DJJJIMSYSA-N 1 1 309.388 4.284 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ncccc1F ZINC000528036484 337782593 /nfs/dbraw/zinc/78/25/93/337782593.db2.gz UHZHWFUODICREA-SCLBCKFNSA-N 1 1 309.388 4.211 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000426423149 338031890 /nfs/dbraw/zinc/03/18/90/338031890.db2.gz XOERKVIDSNUGKC-QGZVFWFLSA-N 1 1 318.342 4.222 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)Cc1ccsc1 ZINC000426459516 338032872 /nfs/dbraw/zinc/03/28/72/338032872.db2.gz KTTSKCYGAJMHQY-OAHLLOKOSA-N 1 1 301.430 4.192 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000426506771 338033764 /nfs/dbraw/zinc/03/37/64/338033764.db2.gz HMHFHBLAUNARNV-MRXNPFEDSA-N 1 1 320.845 4.093 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000426506771 338033765 /nfs/dbraw/zinc/03/37/65/338033765.db2.gz HMHFHBLAUNARNV-MRXNPFEDSA-N 1 1 320.845 4.093 20 30 DIEDMO COc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1OCCCC#N ZINC000426511162 338033846 /nfs/dbraw/zinc/03/38/46/338033846.db2.gz YLHMNTJYCYVCJZ-UHFFFAOYSA-N 1 1 316.445 4.142 20 30 DIEDMO Cc1cc([C@@H]([NH2+]Cc2cccc(F)c2C#N)C2CC2)ccc1F ZINC000428355416 338048508 /nfs/dbraw/zinc/04/85/08/338048508.db2.gz PHCYCMAJCMQLKP-IBGZPJMESA-N 1 1 312.363 4.386 20 30 DIEDMO C=CC[N@H+](Cc1oc(C(C)C)nc1C)Cc1ccc(OC)cc1 ZINC000428471628 338054265 /nfs/dbraw/zinc/05/42/65/338054265.db2.gz BJYDSWSIMVSGKU-UHFFFAOYSA-N 1 1 314.429 4.303 20 30 DIEDMO C=CC[N@@H+](Cc1oc(C(C)C)nc1C)Cc1ccc(OC)cc1 ZINC000428471628 338054266 /nfs/dbraw/zinc/05/42/66/338054266.db2.gz BJYDSWSIMVSGKU-UHFFFAOYSA-N 1 1 314.429 4.303 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1cccc(F)c1C#N ZINC000428954404 338066349 /nfs/dbraw/zinc/06/63/49/338066349.db2.gz RFYCPTHKLJHBPE-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428954404 338066350 /nfs/dbraw/zinc/06/63/50/338066350.db2.gz RFYCPTHKLJHBPE-LJQANCHMSA-N 1 1 312.388 4.289 20 30 DIEDMO N#C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@H]1c1ccccc1 ZINC000429015742 338068912 /nfs/dbraw/zinc/06/89/12/338068912.db2.gz ZWAHUBXCXRKYMN-AABGKKOBSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCCC3)O2)C[C@H]1c1ccccc1 ZINC000429015742 338068913 /nfs/dbraw/zinc/06/89/13/338068913.db2.gz ZWAHUBXCXRKYMN-AABGKKOBSA-N 1 1 324.468 4.107 20 30 DIEDMO C=CCCCCC[N@@H+](C)Cc1nc(Cc2ccccc2C)no1 ZINC000429811204 338090494 /nfs/dbraw/zinc/09/04/94/338090494.db2.gz DBMLNOZHZHUMFC-UHFFFAOYSA-N 1 1 313.445 4.147 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nc(Cc2ccccc2C)no1 ZINC000429811204 338090495 /nfs/dbraw/zinc/09/04/95/338090495.db2.gz DBMLNOZHZHUMFC-UHFFFAOYSA-N 1 1 313.445 4.147 20 30 DIEDMO CC[C@H]1CC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000430196490 338100758 /nfs/dbraw/zinc/10/07/58/338100758.db2.gz RMEBODOECNIWJU-IBGZPJMESA-N 1 1 306.409 4.122 20 30 DIEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000432019883 338143772 /nfs/dbraw/zinc/14/37/72/338143772.db2.gz NJGGHMYMKFANBU-MRXNPFEDSA-N 1 1 310.413 4.139 20 30 DIEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052426 338178846 /nfs/dbraw/zinc/17/88/46/338178846.db2.gz MGTQRYIIFRIJGD-APWZRJJASA-N 1 1 322.456 4.084 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)cc1F ZINC000433296788 338189898 /nfs/dbraw/zinc/18/98/98/338189898.db2.gz JJCXSVJMAXDWKQ-MRXNPFEDSA-N 1 1 314.791 4.340 20 30 DIEDMO C[N@@H+](CC/C=C\c1ccc(Br)cc1)CC(C)(C)C#N ZINC000433325684 338191994 /nfs/dbraw/zinc/19/19/94/338191994.db2.gz KFKGADVXGXPSQB-XQRVVYSFSA-N 1 1 321.262 4.334 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOc2c(F)cccc2C1 ZINC000434616008 338221183 /nfs/dbraw/zinc/22/11/83/338221183.db2.gz PBXOFUZWGGMLNM-UHFFFAOYSA-N 1 1 324.399 4.021 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2c(F)cccc2C1 ZINC000434616008 338221184 /nfs/dbraw/zinc/22/11/84/338221184.db2.gz PBXOFUZWGGMLNM-UHFFFAOYSA-N 1 1 324.399 4.021 20 30 DIEDMO N#CCSCCC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000434907997 338227913 /nfs/dbraw/zinc/22/79/13/338227913.db2.gz VPRMWFDKAPOOAO-UHFFFAOYSA-N 1 1 324.440 4.356 20 30 DIEDMO CCCOc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434988526 338229222 /nfs/dbraw/zinc/22/92/22/338229222.db2.gz TVLVUYOATMOTJT-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO CCCOc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434988526 338229223 /nfs/dbraw/zinc/22/92/23/338229223.db2.gz TVLVUYOATMOTJT-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO C[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283221 338265743 /nfs/dbraw/zinc/26/57/43/338265743.db2.gz LEFRERIHFLYPOS-OXJNMPFZSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283221 338265744 /nfs/dbraw/zinc/26/57/44/338265744.db2.gz LEFRERIHFLYPOS-OXJNMPFZSA-N 1 1 311.473 4.006 20 30 DIEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1OC(F)F ZINC000437435033 338310060 /nfs/dbraw/zinc/31/00/60/338310060.db2.gz OGZOLMNYABKGFZ-UHFFFAOYSA-N 1 1 322.380 4.243 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000437511763 338312212 /nfs/dbraw/zinc/31/22/12/338312212.db2.gz CYBPEDBRPWXTCU-CQSZACIVSA-N 1 1 318.486 4.024 20 30 DIEDMO C[N@@H+](CCCCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000437576338 338314060 /nfs/dbraw/zinc/31/40/60/338314060.db2.gz HVXUKOPSFVVVNL-UHFFFAOYSA-N 1 1 308.425 4.239 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1c(C)noc1C ZINC000439452849 338370030 /nfs/dbraw/zinc/37/00/30/338370030.db2.gz JLTMMWSHTJTYLA-OAHLLOKOSA-N 1 1 303.793 4.057 20 30 DIEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439467227 338370575 /nfs/dbraw/zinc/37/05/75/338370575.db2.gz YOBVVLSFHSXQMH-CYBMUJFWSA-N 1 1 314.816 4.380 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOCc1ccccc1 ZINC000439476555 338370909 /nfs/dbraw/zinc/37/09/09/338370909.db2.gz QYYWJZDOGUMECQ-QGZVFWFLSA-N 1 1 308.425 4.158 20 30 DIEDMO C=CCCC[N@@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000440323637 338385510 /nfs/dbraw/zinc/38/55/10/338385510.db2.gz FYWURCLVNNTROH-UHFFFAOYSA-N 1 1 300.471 4.326 20 30 DIEDMO C=CCCC[N@H+](C)Cc1csc(CCc2ccccc2)n1 ZINC000440323637 338385511 /nfs/dbraw/zinc/38/55/11/338385511.db2.gz FYWURCLVNNTROH-UHFFFAOYSA-N 1 1 300.471 4.326 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000459376586 339025507 /nfs/dbraw/zinc/02/55/07/339025507.db2.gz WPADEOPWOGMCAW-LJQANCHMSA-N 1 1 321.380 4.097 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663979 339041535 /nfs/dbraw/zinc/04/15/35/339041535.db2.gz PEWLSMUNXQXQGQ-HNNXBMFYSA-N 1 1 319.411 4.414 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463451685 339118334 /nfs/dbraw/zinc/11/83/34/339118334.db2.gz XDIOLDHRBLWPKS-KGLIPLIRSA-N 1 1 314.326 4.250 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(OC)c(C#N)c1 ZINC000464579297 339145959 /nfs/dbraw/zinc/14/59/59/339145959.db2.gz STSIXOSFWHCBGA-UHFFFAOYSA-N 1 1 314.454 4.083 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743603 339150749 /nfs/dbraw/zinc/15/07/49/339150749.db2.gz ZJPXLBULRZZGPX-YWZLYKJASA-N 1 1 324.399 4.159 20 30 DIEDMO COc1ccc(CC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000464816135 339155147 /nfs/dbraw/zinc/15/51/47/339155147.db2.gz SAILBDNKWRDXIP-SFTDATJTSA-N 1 1 320.436 4.009 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCOc1ccccc1 ZINC000464818982 339155288 /nfs/dbraw/zinc/15/52/88/339155288.db2.gz ATJUSFIEMUOKRY-NHCUHLMSSA-N 1 1 320.436 4.227 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCOc1ccccc1 ZINC000464818982 339155289 /nfs/dbraw/zinc/15/52/89/339155289.db2.gz ATJUSFIEMUOKRY-NHCUHLMSSA-N 1 1 320.436 4.227 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)cc1 ZINC000468267147 339258323 /nfs/dbraw/zinc/25/83/23/339258323.db2.gz YGUIIESPXGNTPJ-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)ccc1F ZINC000468272711 339258456 /nfs/dbraw/zinc/25/84/56/339258456.db2.gz OHRZVDQGKKHOSI-SFHVURJKSA-N 1 1 312.363 4.044 20 30 DIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)c(C#N)c1 ZINC000468271586 339258481 /nfs/dbraw/zinc/25/84/81/339258481.db2.gz FOZLGBWCYVVIQU-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468282470 339258857 /nfs/dbraw/zinc/25/88/57/339258857.db2.gz QQLDGFWCRAGRQM-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000468289145 339259058 /nfs/dbraw/zinc/25/90/58/339259058.db2.gz KUIKSPIORBCOPB-UHFFFAOYSA-N 1 1 321.399 4.227 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cc(F)ccc1C#N ZINC000468842302 339272431 /nfs/dbraw/zinc/27/24/31/339272431.db2.gz DSZSRCRDAWIJSV-FQEVSTJZSA-N 1 1 324.399 4.215 20 30 DIEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000468842302 339272432 /nfs/dbraw/zinc/27/24/32/339272432.db2.gz DSZSRCRDAWIJSV-FQEVSTJZSA-N 1 1 324.399 4.215 20 30 DIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000469993332 339307133 /nfs/dbraw/zinc/30/71/33/339307133.db2.gz TWHOGMIREWTHBT-AWEZNQCLSA-N 1 1 315.766 4.354 20 30 DIEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC#N)CCC(C)C ZINC000470175038 339312850 /nfs/dbraw/zinc/31/28/50/339312850.db2.gz OOVIMKQQYZCGBU-VBKFSLOCSA-N 1 1 315.417 4.260 20 30 DIEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCC#N)CCC(C)C ZINC000470175038 339312851 /nfs/dbraw/zinc/31/28/51/339312851.db2.gz OOVIMKQQYZCGBU-VBKFSLOCSA-N 1 1 315.417 4.260 20 30 DIEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000470721140 339325995 /nfs/dbraw/zinc/32/59/95/339325995.db2.gz BGOHVEOHJMKLDZ-ZDUSSCGKSA-N 1 1 312.251 4.035 20 30 DIEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000470720933 339326045 /nfs/dbraw/zinc/32/60/45/339326045.db2.gz APFTVRODKZEJOC-INIZCTEOSA-N 1 1 324.262 4.179 20 30 DIEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000470727216 339326346 /nfs/dbraw/zinc/32/63/46/339326346.db2.gz RCGQAYYZORVKDE-ZDUSSCGKSA-N 1 1 301.352 4.291 20 30 DIEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000470780348 339327879 /nfs/dbraw/zinc/32/78/79/339327879.db2.gz GKGAPNVNDDHXOP-KRWDZBQOSA-N 1 1 323.864 4.085 20 30 DIEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000470780348 339327880 /nfs/dbraw/zinc/32/78/80/339327880.db2.gz GKGAPNVNDDHXOP-KRWDZBQOSA-N 1 1 323.864 4.085 20 30 DIEDMO C=CCOCCC[N@@H+]1CC=C(c2c[nH]c3cc(C)ccc32)CC1 ZINC000470790049 339328229 /nfs/dbraw/zinc/32/82/29/339328229.db2.gz PDXTVDLLLHUVMT-UHFFFAOYSA-N 1 1 310.441 4.158 20 30 DIEDMO C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)[C@@H]1c1ccccc1 ZINC000471032417 339335054 /nfs/dbraw/zinc/33/50/54/339335054.db2.gz KUVONASHBSRQMJ-YWZLYKJASA-N 1 1 301.393 4.004 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1c1ccccc1 ZINC000471032417 339335055 /nfs/dbraw/zinc/33/50/55/339335055.db2.gz KUVONASHBSRQMJ-YWZLYKJASA-N 1 1 301.393 4.004 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000472580556 339374243 /nfs/dbraw/zinc/37/42/43/339374243.db2.gz KYNGNNMMPYOTGP-SFTDATJTSA-N 1 1 307.437 4.113 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744734 339376762 /nfs/dbraw/zinc/37/67/62/339376762.db2.gz DBZLJBRCUWIMMR-SWLSCSKDSA-N 1 1 301.352 4.025 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473175655 339383582 /nfs/dbraw/zinc/38/35/82/339383582.db2.gz UOEIVIAOSXMFIA-UHFFFAOYSA-N 1 1 304.384 4.384 20 30 DIEDMO COc1c(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)oc2ccccc21 ZINC000474047305 339399019 /nfs/dbraw/zinc/39/90/19/339399019.db2.gz PQZMIJJIFQFJFO-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000479293504 339530632 /nfs/dbraw/zinc/53/06/32/339530632.db2.gz ZZEOCGUVWVSVLF-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC000498794517 340023347 /nfs/dbraw/zinc/02/33/47/340023347.db2.gz YHXHXZZICFWNDI-LJQANCHMSA-N 1 1 306.409 4.083 20 30 DIEDMO N#Cc1csc(CNc2cc(CCc3ccccc3)cc[nH+]2)c1 ZINC000499406202 340036301 /nfs/dbraw/zinc/03/63/01/340036301.db2.gz IFBZIRZGLMAXAP-UHFFFAOYSA-N 1 1 319.433 4.412 20 30 DIEDMO Cc1ccc2c(c1)[nH+]c(C)cc2OCCCC1(C#N)CCOCC1 ZINC000499992088 340048348 /nfs/dbraw/zinc/04/83/48/340048348.db2.gz UQFUNFFCYXUWNL-UHFFFAOYSA-N 1 1 324.424 4.331 20 30 DIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC000500238697 340053806 /nfs/dbraw/zinc/05/38/06/340053806.db2.gz VLTZZFAFPAJVAX-UHFFFAOYSA-N 1 1 314.379 4.291 20 30 DIEDMO C=CCC(CC=C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000500741945 340066355 /nfs/dbraw/zinc/06/63/55/340066355.db2.gz GXFKUAIEBDXRCR-UHFFFAOYSA-N 1 1 306.837 4.109 20 30 DIEDMO C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000501027206 340072600 /nfs/dbraw/zinc/07/26/00/340072600.db2.gz FILBVVVTTDJJTF-OLZOCXBDSA-N 1 1 310.363 4.433 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000501204649 340076166 /nfs/dbraw/zinc/07/61/66/340076166.db2.gz OTXHAUBAEUMYDR-QGZVFWFLSA-N 1 1 310.397 4.277 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000501258323 340077392 /nfs/dbraw/zinc/07/73/92/340077392.db2.gz ZLDNQOZMSSCSAN-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501268915 340077617 /nfs/dbraw/zinc/07/76/17/340077617.db2.gz LEZIUXXWYLYKRK-MRXNPFEDSA-N 1 1 312.438 4.138 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000501268915 340077618 /nfs/dbraw/zinc/07/76/18/340077618.db2.gz LEZIUXXWYLYKRK-MRXNPFEDSA-N 1 1 312.438 4.138 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000501269930 340077637 /nfs/dbraw/zinc/07/76/37/340077637.db2.gz SBMDDCBPHFJKPF-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)[N@@H+](CC2(C#N)CC2)C1 ZINC000501543156 340083171 /nfs/dbraw/zinc/08/31/71/340083171.db2.gz XENXHZZDTJGJEZ-DOMZBBRYSA-N 1 1 308.347 4.392 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000502452844 340104162 /nfs/dbraw/zinc/10/41/62/340104162.db2.gz AADOWOASJFYFRT-GOSISDBHSA-N 1 1 322.452 4.116 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000502452844 340104163 /nfs/dbraw/zinc/10/41/63/340104163.db2.gz AADOWOASJFYFRT-GOSISDBHSA-N 1 1 322.452 4.116 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000502466936 340104916 /nfs/dbraw/zinc/10/49/16/340104916.db2.gz JOFLYHAPJRKKBM-KRWDZBQOSA-N 1 1 322.452 4.264 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000502466936 340104917 /nfs/dbraw/zinc/10/49/17/340104917.db2.gz JOFLYHAPJRKKBM-KRWDZBQOSA-N 1 1 322.452 4.264 20 30 DIEDMO CCOc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502504744 340106312 /nfs/dbraw/zinc/10/63/12/340106312.db2.gz MQTQECIPTUQORA-UHFFFAOYSA-N 1 1 318.420 4.246 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000502565091 340107947 /nfs/dbraw/zinc/10/79/47/340107947.db2.gz YTCLGDQMDRIEKP-SFHVURJKSA-N 1 1 300.352 4.323 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)cc1 ZINC000502565090 340108011 /nfs/dbraw/zinc/10/80/11/340108011.db2.gz YTCLGDQMDRIEKP-GOSISDBHSA-N 1 1 300.352 4.323 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000505858638 340179844 /nfs/dbraw/zinc/17/98/44/340179844.db2.gz HSDHLZKCSIJSGA-UHFFFAOYSA-N 1 1 316.470 4.429 20 30 DIEDMO Cc1ccc(OCCC[N@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000506120686 340186034 /nfs/dbraw/zinc/18/60/34/340186034.db2.gz BXUVHLRSJRGAIP-UHFFFAOYSA-N 1 1 308.425 4.076 20 30 DIEDMO COCC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)C ZINC000506151082 340186758 /nfs/dbraw/zinc/18/67/58/340186758.db2.gz ZNSPCVLSRCQIAT-UHFFFAOYSA-N 1 1 322.452 4.330 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506495987 340195770 /nfs/dbraw/zinc/19/57/70/340195770.db2.gz PDCHQAXRXQBSBM-MRXNPFEDSA-N 1 1 308.425 4.020 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc(OC)c1O ZINC000507063932 340206392 /nfs/dbraw/zinc/20/63/92/340206392.db2.gz HOEKJIQVYLHAHQ-LJQANCHMSA-N 1 1 323.436 4.119 20 30 DIEDMO CC[C@H](C)[N@@H+](C)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000507144200 340209481 /nfs/dbraw/zinc/20/94/81/340209481.db2.gz PPZYEVQVLDEYHX-INIZCTEOSA-N 1 1 308.425 4.368 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000507173074 340211177 /nfs/dbraw/zinc/21/11/77/340211177.db2.gz KIWLZBZFNHJGGR-UHFFFAOYSA-N 1 1 318.342 4.386 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1F ZINC000507173074 340211178 /nfs/dbraw/zinc/21/11/78/340211178.db2.gz KIWLZBZFNHJGGR-UHFFFAOYSA-N 1 1 318.342 4.386 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC(F)(F)F)c1 ZINC000507251071 340215666 /nfs/dbraw/zinc/21/56/66/340215666.db2.gz FSFSKZPRBQASGT-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO CC[C@@H]1C[C@@H](C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000507801423 340232180 /nfs/dbraw/zinc/23/21/80/340232180.db2.gz DNUVFSQKUNNMRM-VDZJLULYSA-N 1 1 300.446 4.146 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@H+](CCC#N)CCC(C)C ZINC000508222407 340240972 /nfs/dbraw/zinc/24/09/72/340240972.db2.gz KCMCGHGTMDRNSD-JXAWBTAJSA-N 1 1 314.473 4.498 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@@H+](CCC#N)CCC(C)C ZINC000508222407 340240973 /nfs/dbraw/zinc/24/09/73/340240973.db2.gz KCMCGHGTMDRNSD-JXAWBTAJSA-N 1 1 314.473 4.498 20 30 DIEDMO C=CC[N@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000508534283 340245977 /nfs/dbraw/zinc/24/59/77/340245977.db2.gz NECOELCAJZMNRM-UHFFFAOYSA-N 1 1 321.449 4.393 20 30 DIEDMO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)Cc1ccccc1 ZINC000508534283 340245978 /nfs/dbraw/zinc/24/59/78/340245978.db2.gz NECOELCAJZMNRM-UHFFFAOYSA-N 1 1 321.449 4.393 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)CCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606753 340247731 /nfs/dbraw/zinc/24/77/31/340247731.db2.gz ZKHZLVMERSLFKM-HNNXBMFYSA-N 1 1 306.409 4.076 20 30 DIEDMO CC[N@@H+](CC1=Cc2ccccc2OC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508606782 340247812 /nfs/dbraw/zinc/24/78/12/340247812.db2.gz ZPIUEXALJSLDRO-INIZCTEOSA-N 1 1 318.420 4.417 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000508674195 340250195 /nfs/dbraw/zinc/25/01/95/340250195.db2.gz YDFMOVJEMYRJNN-IBGZPJMESA-N 1 1 318.424 4.179 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CCCC2)o1 ZINC000508806297 340253489 /nfs/dbraw/zinc/25/34/89/340253489.db2.gz MCPRLJRQYJAGGS-UHFFFAOYSA-N 1 1 316.351 4.374 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CCCC2)o1 ZINC000508806297 340253490 /nfs/dbraw/zinc/25/34/90/340253490.db2.gz MCPRLJRQYJAGGS-UHFFFAOYSA-N 1 1 316.351 4.374 20 30 DIEDMO C=C(C)CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000509024009 340258654 /nfs/dbraw/zinc/25/86/54/340258654.db2.gz ZVEFDHSIDFDRKI-KRWDZBQOSA-N 1 1 301.821 4.117 20 30 DIEDMO C=C(C)CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000509392886 340268162 /nfs/dbraw/zinc/26/81/62/340268162.db2.gz MEQYQSRMIMKTMZ-UHFFFAOYSA-N 1 1 321.461 4.279 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCCSCC#N ZINC000510251548 340294242 /nfs/dbraw/zinc/29/42/42/340294242.db2.gz CYUKKJCLFOYWOG-RDJZCZTQSA-N 1 1 318.486 4.115 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(Cl)cc2C#N)C1 ZINC000511358950 340325943 /nfs/dbraw/zinc/32/59/43/340325943.db2.gz KAVHRNJERPMSAM-CQSZACIVSA-N 1 1 305.853 4.136 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000511843782 340340170 /nfs/dbraw/zinc/34/01/70/340340170.db2.gz ONHOPVBJZYTYEV-NJYVYQBISA-N 1 1 302.421 4.326 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCC ZINC000512067067 340347422 /nfs/dbraw/zinc/34/74/22/340347422.db2.gz KDFSWSHLFDLBLL-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCC ZINC000512067067 340347423 /nfs/dbraw/zinc/34/74/23/340347423.db2.gz KDFSWSHLFDLBLL-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1c(C)cc(C)cc1C ZINC000512194977 340351953 /nfs/dbraw/zinc/35/19/53/340351953.db2.gz MPRMATHDZIBAKX-UHFFFAOYSA-N 1 1 313.441 4.275 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375181 340359325 /nfs/dbraw/zinc/35/93/25/340359325.db2.gz NKXGTCJMBJESCC-UHFFFAOYSA-N 1 1 302.399 4.153 20 30 DIEDMO C=CC[N@H+](Cc1ccc(C)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000512375181 340359326 /nfs/dbraw/zinc/35/93/26/340359326.db2.gz NKXGTCJMBJESCC-UHFFFAOYSA-N 1 1 302.399 4.153 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](C)c1cccc(OC)c1 ZINC000512450620 340362268 /nfs/dbraw/zinc/36/22/68/340362268.db2.gz ULQVTLIMMGPAHS-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1F)Cc1ccccc1C(F)(F)F ZINC000512449210 340362279 /nfs/dbraw/zinc/36/22/79/340362279.db2.gz DBPPVRWMTQKASR-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1F)Cc1ccccc1C(F)(F)F ZINC000512449210 340362280 /nfs/dbraw/zinc/36/22/80/340362280.db2.gz DBPPVRWMTQKASR-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](C)c1cccc(OC)c1 ZINC000512450621 340362421 /nfs/dbraw/zinc/36/24/21/340362421.db2.gz ULQVTLIMMGPAHS-CQSZACIVSA-N 1 1 312.388 4.289 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccc(F)c1 ZINC000512506232 340364594 /nfs/dbraw/zinc/36/45/94/340364594.db2.gz IYZKWDUHILSJLA-UHFFFAOYSA-N 1 1 301.409 4.181 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccc(F)c1 ZINC000512506232 340364595 /nfs/dbraw/zinc/36/45/95/340364595.db2.gz IYZKWDUHILSJLA-UHFFFAOYSA-N 1 1 301.409 4.181 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1 ZINC000512517081 340365198 /nfs/dbraw/zinc/36/51/98/340365198.db2.gz QAUZWLAUBYXQAN-UHFFFAOYSA-N 1 1 320.392 4.196 20 30 DIEDMO COc1ccc(Cl)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512624947 340369645 /nfs/dbraw/zinc/36/96/45/340369645.db2.gz LAOLJVGEWFORBB-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO C[N@@H+](CCc1cccc2ccccc21)Cc1ccc(C#N)s1 ZINC000512664256 340371830 /nfs/dbraw/zinc/37/18/30/340371830.db2.gz YUVVHKLOMDUMBN-UHFFFAOYSA-N 1 1 306.434 4.447 20 30 DIEDMO C[C@H]1SCC[N@@H+](CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000174868191 340397922 /nfs/dbraw/zinc/39/79/22/340397922.db2.gz KISZIUORVBBWAB-NVXWUHKLSA-N 1 1 302.487 4.495 20 30 DIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CCCC(C)(C)C#N)cc1 ZINC000174866229 340397942 /nfs/dbraw/zinc/39/79/42/340397942.db2.gz HZDKEFWZILTRST-KRWDZBQOSA-N 1 1 302.487 4.415 20 30 DIEDMO CCO[C@@H](C)c1nc(C[N@H+](C)CCCC(C)(C)C#N)cs1 ZINC000174877700 340398210 /nfs/dbraw/zinc/39/82/10/340398210.db2.gz PEQDVCQAVTUFES-ZDUSSCGKSA-N 1 1 309.479 4.002 20 30 DIEDMO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCC(C)(C)C#N)cs1 ZINC000174877700 340398211 /nfs/dbraw/zinc/39/82/11/340398211.db2.gz PEQDVCQAVTUFES-ZDUSSCGKSA-N 1 1 309.479 4.002 20 30 DIEDMO C=CCC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccco1 ZINC000513712812 340421172 /nfs/dbraw/zinc/42/11/72/340421172.db2.gz FZUTUQPJQHTZKO-OAHLLOKOSA-N 1 1 318.804 4.169 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000516949777 340459882 /nfs/dbraw/zinc/45/98/82/340459882.db2.gz MUAFJQSGVNAFAT-KRWDZBQOSA-N 1 1 321.449 4.371 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c(Cl)c1 ZINC000521282942 340484996 /nfs/dbraw/zinc/48/49/96/340484996.db2.gz WPOSQLCFAWPCCZ-UHFFFAOYSA-N 1 1 316.754 4.376 20 30 DIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OCCC(C)C ZINC000538389982 340819915 /nfs/dbraw/zinc/81/99/15/340819915.db2.gz MRUHICCJGARYCH-OAHLLOKOSA-N 1 1 316.445 4.074 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccc(C#N)c(F)c1 ZINC000538510834 340829952 /nfs/dbraw/zinc/82/99/52/340829952.db2.gz NJYAPIUMZOACJP-QWRGUYRKSA-N 1 1 304.315 4.387 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000539223719 340877225 /nfs/dbraw/zinc/87/72/25/340877225.db2.gz KNADIAVTQZWDSJ-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1cccc(F)c1F ZINC000539333152 340881414 /nfs/dbraw/zinc/88/14/14/340881414.db2.gz YTRLJAFTUXRSCT-GFCCVEGCSA-N 1 1 305.755 4.321 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1F ZINC000540425069 340930968 /nfs/dbraw/zinc/93/09/68/340930968.db2.gz LAGUIAFBEXCNAU-GOSISDBHSA-N 1 1 318.342 4.462 20 30 DIEDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000540594699 340937417 /nfs/dbraw/zinc/93/74/17/340937417.db2.gz XSQNBQUZCBNAAW-LSTHTHJFSA-N 1 1 313.489 4.109 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nc(C(C)(C)C)cs1 ZINC000541653129 340979546 /nfs/dbraw/zinc/97/95/46/340979546.db2.gz GNKKXPREJQDSOY-CYBMUJFWSA-N 1 1 313.470 4.357 20 30 DIEDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)on1 ZINC000542015841 340993360 /nfs/dbraw/zinc/99/33/60/340993360.db2.gz UKFYWXZIQYYAGW-HNNXBMFYSA-N 1 1 317.392 4.373 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276943 341002984 /nfs/dbraw/zinc/00/29/84/341002984.db2.gz FIPWFJWUDBADGJ-MGPUTAFESA-N 1 1 308.400 4.475 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1c1ccccc1 ZINC000542277376 341003250 /nfs/dbraw/zinc/00/32/50/341003250.db2.gz PNXZWYIYLLKVSI-UZLBHIALSA-N 1 1 322.477 4.431 20 30 DIEDMO C=CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000542484159 341009715 /nfs/dbraw/zinc/00/97/15/341009715.db2.gz RAIPKFUMRTWLNI-UHFFFAOYSA-N 1 1 318.420 4.288 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@H](c2ccc(C)o2)C2CCCC2)CC1 ZINC000542678502 341016995 /nfs/dbraw/zinc/01/69/95/341016995.db2.gz UUOHJHLOMBQMTM-FQEVSTJZSA-N 1 1 316.489 4.449 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915511 341063206 /nfs/dbraw/zinc/06/32/06/341063206.db2.gz AJTQAWMZSRHYFV-ZIAGYGMSSA-N 1 1 315.383 4.284 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000543915508 341063393 /nfs/dbraw/zinc/06/33/93/341063393.db2.gz AJTQAWMZSRHYFV-KBPBESRZSA-N 1 1 315.383 4.284 20 30 DIEDMO Cc1csc([C@@H]([NH2+]CC#Cc2ccccc2Cl)C2CC2)n1 ZINC000544442887 341082246 /nfs/dbraw/zinc/08/22/46/341082246.db2.gz QCMABYGKWIIUBN-INIZCTEOSA-N 1 1 316.857 4.197 20 30 DIEDMO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@H](CC)CC#N ZINC000545164921 341110987 /nfs/dbraw/zinc/11/09/87/341110987.db2.gz KEMICWAHERAKGW-RHSMWYFYSA-N 1 1 305.441 4.090 20 30 DIEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000074020822 341125375 /nfs/dbraw/zinc/12/53/75/341125375.db2.gz JMQLAWTZMJLZQP-UHFFFAOYSA-N 1 1 315.244 4.220 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000132964915 341150806 /nfs/dbraw/zinc/15/08/06/341150806.db2.gz CHXOKCRDLFEUND-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCSCC#N ZINC000074989667 341159207 /nfs/dbraw/zinc/15/92/07/341159207.db2.gz IEUHBXPVTLXJAU-ZWKOTPCHSA-N 1 1 302.487 4.291 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000076737234 341213365 /nfs/dbraw/zinc/21/33/65/341213365.db2.gz OBRJXYLVJBJDCI-LLVKDONJSA-N 1 1 315.244 4.218 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000135177685 341232798 /nfs/dbraw/zinc/23/27/98/341232798.db2.gz DOOFSXPNQHYIPY-IBGZPJMESA-N 1 1 319.452 4.174 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ccncc2C#N)cc1 ZINC000548153546 341249789 /nfs/dbraw/zinc/24/97/89/341249789.db2.gz VFCOGYBCGBBAQB-OAHLLOKOSA-N 1 1 306.413 4.071 20 30 DIEDMO Cc1oc(-c2ccccc2)nc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000549165372 341287814 /nfs/dbraw/zinc/28/78/14/341287814.db2.gz LUVXBMYTXORWKO-CQSZACIVSA-N 1 1 317.392 4.373 20 30 DIEDMO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccccc1 ZINC000549350389 341292123 /nfs/dbraw/zinc/29/21/23/341292123.db2.gz WDNXFINNMJLYNP-FQEVSTJZSA-N 1 1 308.425 4.156 20 30 DIEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000081522001 341294861 /nfs/dbraw/zinc/29/48/61/341294861.db2.gz 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341395987 /nfs/dbraw/zinc/39/59/87/341395987.db2.gz PPMOXFDEEMYCGP-HNAYVOBHSA-N 1 1 306.409 4.117 20 30 DIEDMO C=CCN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(Cl)s1 ZINC000552566104 341399086 /nfs/dbraw/zinc/39/90/86/341399086.db2.gz SBWZBLUTQPQJPQ-CQSZACIVSA-N 1 1 312.910 4.264 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1ccnc(OC)c1)c1ccc(F)c(F)c1 ZINC000575735503 341801520 /nfs/dbraw/zinc/80/15/20/341801520.db2.gz CVCDHSCDWQZSFF-KPZWWZAWSA-N 1 1 318.367 4.336 20 30 DIEDMO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000266564280 519718938 /nfs/dbraw/zinc/71/89/38/519718938.db2.gz ZCIDEACENAAAEQ-UHFFFAOYSA-N 1 1 324.428 4.009 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)s2)s1 ZINC000130192476 522218149 /nfs/dbraw/zinc/21/81/49/522218149.db2.gz BOJKPKBKXWXFCU-LLVKDONJSA-N 1 1 305.472 4.140 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)s2)s1 ZINC000130192476 522218157 /nfs/dbraw/zinc/21/81/57/522218157.db2.gz BOJKPKBKXWXFCU-LLVKDONJSA-N 1 1 305.472 4.140 20 30 DIEDMO 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CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1C[C@H](C)CCC#N ZINC000602456051 1038008969 /nfs/dbraw/zinc/00/89/69/1038008969.db2.gz ZLVDRYWVGZSIIB-QAPCUYQASA-N 1 1 310.445 4.133 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cc2ccccc2o1 ZINC000602447247 1038009456 /nfs/dbraw/zinc/00/94/56/1038009456.db2.gz CGKGDWXSWOFSEY-AWEZNQCLSA-N 1 1 305.381 4.283 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000602482836 1038017547 /nfs/dbraw/zinc/01/75/47/1038017547.db2.gz GUYYDWNDLKSNPE-HUUCEWRRSA-N 1 1 317.502 4.141 20 30 DIEDMO CC(C)c1nc([C@H]2CCCCC[N@H+]2C[C@@H](C)CCC#N)no1 ZINC000602597333 1038044062 /nfs/dbraw/zinc/04/40/62/1038044062.db2.gz AWUSMRZQJBWQGL-LSDHHAIUSA-N 1 1 304.438 4.050 20 30 DIEDMO CC(C)c1nc([C@H]2CCCCC[N@@H+]2C[C@@H](C)CCC#N)no1 ZINC000602597333 1038044079 /nfs/dbraw/zinc/04/40/79/1038044079.db2.gz AWUSMRZQJBWQGL-LSDHHAIUSA-N 1 1 304.438 4.050 20 30 DIEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1cccc(C#N)n1 ZINC000602636064 1038060029 /nfs/dbraw/zinc/06/00/29/1038060029.db2.gz DSLGSGQQOUOFPJ-INIZCTEOSA-N 1 1 319.330 4.045 20 30 DIEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000602654466 1038061581 /nfs/dbraw/zinc/06/15/81/1038061581.db2.gz UOXHFQQVKANESL-SJORKVTESA-N 1 1 315.461 4.056 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602693427 1038067642 /nfs/dbraw/zinc/06/76/42/1038067642.db2.gz QUGZSLWEQAOKHS-MJGOQNOKSA-N 1 1 319.452 4.078 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(F)F)nc1 ZINC000602691395 1038068628 /nfs/dbraw/zinc/06/86/28/1038068628.db2.gz FQTVQDZZDBLZGL-GFCCVEGCSA-N 1 1 301.340 4.084 20 30 DIEDMO Cc1cc([C@@H]2CC[N@H+](C[C@H](C)CCC#N)C2)c(O)cc1Cl ZINC000602714057 1038076562 /nfs/dbraw/zinc/07/65/62/1038076562.db2.gz SJELFNRZHNDBBA-TZMCWYRMSA-N 1 1 306.837 4.083 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602793943 1038089177 /nfs/dbraw/zinc/08/91/77/1038089177.db2.gz UOAQAQSRSJAXEF-GOSISDBHSA-N 1 1 322.456 4.448 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602793943 1038089196 /nfs/dbraw/zinc/08/91/96/1038089196.db2.gz UOAQAQSRSJAXEF-GOSISDBHSA-N 1 1 322.456 4.448 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857944 1038097843 /nfs/dbraw/zinc/09/78/43/1038097843.db2.gz YVTQCKQWMCOGMA-SFHVURJKSA-N 1 1 319.452 4.262 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592551 1038129185 /nfs/dbraw/zinc/12/91/85/1038129185.db2.gz MBMNWAVXAYVQJR-VQIMIIECSA-N 1 1 314.473 4.150 20 30 DIEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1C ZINC000598596844 1038129396 /nfs/dbraw/zinc/12/93/96/1038129396.db2.gz UMCNKZAMQRJMFM-MJGOQNOKSA-N 1 1 314.473 4.131 20 30 DIEDMO CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](CC)c1ccccc1 ZINC000598587667 1038130133 /nfs/dbraw/zinc/13/01/33/1038130133.db2.gz USNLAQIUVKUUDD-ROUUACIJSA-N 1 1 302.462 4.150 20 30 DIEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1cc2ccccc2o1 ZINC000598587280 1038130210 /nfs/dbraw/zinc/13/02/10/1038130210.db2.gz NXUKULJVFXHBHP-GOEBONIOSA-N 1 1 314.429 4.116 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598598399 1038132277 /nfs/dbraw/zinc/13/22/77/1038132277.db2.gz FBOJXGZYINKQAT-RTBURBONSA-N 1 1 314.473 4.248 20 30 DIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000598619143 1038134814 /nfs/dbraw/zinc/13/48/14/1038134814.db2.gz BLLPENVCLDJMFO-SJORKVTESA-N 1 1 320.864 4.168 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000176000935 1038162323 /nfs/dbraw/zinc/16/23/23/1038162323.db2.gz OKHKVRMBDJYJBL-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO N#CC1(CC[N@H+]2CC[C@@H](COc3ccccc3)C2)CCCCC1 ZINC001168414249 1038197499 /nfs/dbraw/zinc/19/74/99/1038197499.db2.gz OCCCTXNKOCKCSH-GOSISDBHSA-N 1 1 312.457 4.251 20 30 DIEDMO N#Cc1csc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599019504 1038219644 /nfs/dbraw/zinc/21/96/44/1038219644.db2.gz FDXNTYBJZBPRGO-UHFFFAOYSA-N 1 1 304.365 4.067 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)s1 ZINC000599020557 1038221015 /nfs/dbraw/zinc/22/10/15/1038221015.db2.gz SVJYGPPTSBFVAP-UHFFFAOYSA-N 1 1 304.365 4.067 20 30 DIEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000599436859 1038284083 /nfs/dbraw/zinc/28/40/83/1038284083.db2.gz AVNZLKGWZOVQFB-OALUTQOASA-N 1 1 324.468 4.049 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)CCC(F)(F)F)ccc1OC ZINC000092479923 1038288941 /nfs/dbraw/zinc/28/89/41/1038288941.db2.gz YQUUNFNAEOHRAL-UHFFFAOYSA-N 1 1 317.351 4.034 20 30 DIEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000603856938 1038301768 /nfs/dbraw/zinc/30/17/68/1038301768.db2.gz GIIOHAWUWIHPIU-HXUWFJFHSA-N 1 1 306.409 4.083 20 30 DIEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccc(C#N)cc2)C1 ZINC000603859338 1038305788 /nfs/dbraw/zinc/30/57/88/1038305788.db2.gz CUAGNBUEDSZWGD-KRWDZBQOSA-N 1 1 319.452 4.402 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000561783125 1038307306 /nfs/dbraw/zinc/30/73/06/1038307306.db2.gz BYKRHGSDUNYIFV-IBGZPJMESA-N 1 1 324.424 4.159 20 30 DIEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599539097 1038311604 /nfs/dbraw/zinc/31/16/04/1038311604.db2.gz WKWBVLKCZAFKDE-UHFFFAOYSA-N 1 1 324.428 4.009 20 30 DIEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000603895505 1038315623 /nfs/dbraw/zinc/31/56/23/1038315623.db2.gz IGYWGHNXGXRUNA-IBGZPJMESA-N 1 1 308.381 4.270 20 30 DIEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCCC1 ZINC000341975699 1038360893 /nfs/dbraw/zinc/36/08/93/1038360893.db2.gz JVJXMDPBPBSQHG-UHFFFAOYSA-N 1 1 323.440 4.002 20 30 DIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610993532 1038423271 /nfs/dbraw/zinc/42/32/71/1038423271.db2.gz WLHNYZVPYIGTAD-OXQOHEQNSA-N 1 1 305.425 4.235 20 30 DIEDMO N#Cc1cc(C[N@H+](CCc2ccc(F)cc2)C2CCCC2)ccn1 ZINC000610992362 1038424378 /nfs/dbraw/zinc/42/43/78/1038424378.db2.gz XPMVOZNAVULKMC-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO CC#CCC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000156645157 1038464164 /nfs/dbraw/zinc/46/41/64/1038464164.db2.gz QXJDNIXGFLPYSK-UHFFFAOYSA-N 1 1 317.820 4.015 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000342212719 1038479890 /nfs/dbraw/zinc/47/98/90/1038479890.db2.gz VXUOOGNWRIGRFU-CQSZACIVSA-N 1 1 309.335 4.226 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC001167505827 1038495300 /nfs/dbraw/zinc/49/53/00/1038495300.db2.gz WCJJNRQJDWDDMB-LIRRHRJNSA-N 1 1 324.399 4.289 20 30 DIEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1ncc(C(F)(F)F)cc1Cl ZINC000926347177 1038510217 /nfs/dbraw/zinc/51/02/17/1038510217.db2.gz XJIUXALGLXDJGI-VIFPVBQESA-N 1 1 317.742 4.098 20 30 DIEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(Cl)cc1 ZINC000014235036 1038525354 /nfs/dbraw/zinc/52/53/54/1038525354.db2.gz WATOTRXXBZVCSN-UHFFFAOYSA-N 1 1 309.800 4.096 20 30 DIEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccc(Cl)cc1 ZINC000014235036 1038525360 /nfs/dbraw/zinc/52/53/60/1038525360.db2.gz WATOTRXXBZVCSN-UHFFFAOYSA-N 1 1 309.800 4.096 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3csc(C4CC4)n3)CCC2)cc1 ZINC000594033653 1038627353 /nfs/dbraw/zinc/62/73/53/1038627353.db2.gz WXDONDHXUAKDFR-UHFFFAOYSA-N 1 1 309.438 4.061 20 30 DIEDMO CCC(CC)n1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594033621 1038627559 /nfs/dbraw/zinc/62/75/59/1038627559.db2.gz VRGRDXAKXLINMV-UHFFFAOYSA-N 1 1 322.456 4.285 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CSCc2ccccc21)c1ccc(C#N)cc1F ZINC000611588153 1038639280 /nfs/dbraw/zinc/63/92/80/1038639280.db2.gz VTLCQUFHVHKFTR-XIKOKIGWSA-N 1 1 312.413 4.336 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934460256 1038664281 /nfs/dbraw/zinc/66/42/81/1038664281.db2.gz OUZLOOURCXFACR-OAHLLOKOSA-N 1 1 305.381 4.040 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934460256 1038664284 /nfs/dbraw/zinc/66/42/84/1038664284.db2.gz OUZLOOURCXFACR-OAHLLOKOSA-N 1 1 305.381 4.040 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000934469316 1038669259 /nfs/dbraw/zinc/66/92/59/1038669259.db2.gz APZRQBUYTVLBEB-NSHDSACASA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000934469316 1038669260 /nfs/dbraw/zinc/66/92/60/1038669260.db2.gz APZRQBUYTVLBEB-NSHDSACASA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000934470179 1038669944 /nfs/dbraw/zinc/66/99/44/1038669944.db2.gz AAZLSMRUPKPMIC-JKSUJKDBSA-N 1 1 300.446 4.096 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000934470179 1038669947 /nfs/dbraw/zinc/66/99/47/1038669947.db2.gz AAZLSMRUPKPMIC-JKSUJKDBSA-N 1 1 300.446 4.096 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)CCC2 ZINC000152569738 1038677340 /nfs/dbraw/zinc/67/73/40/1038677340.db2.gz WUKODZKFGCCCRY-INIZCTEOSA-N 1 1 311.454 4.087 20 30 DIEDMO CC[N@H+](Cc1nc2ccccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000119872015 1038682388 /nfs/dbraw/zinc/68/23/88/1038682388.db2.gz WLBIINOMLHYJBG-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@@H+](Cc1nc2ccccc2[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000119872015 1038682392 /nfs/dbraw/zinc/68/23/92/1038682392.db2.gz WLBIINOMLHYJBG-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO C=CC[N@H+](CCCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000063300577 1038692468 /nfs/dbraw/zinc/69/24/68/1038692468.db2.gz JBVIFKOJLDWKRF-UHFFFAOYSA-N 1 1 324.399 4.154 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2nccn2CC(F)(F)F)CCCC1(C)C ZINC000277688915 1038699607 /nfs/dbraw/zinc/69/96/07/1038699607.db2.gz GYCBZSKLKUCOSE-CYBMUJFWSA-N 1 1 315.383 4.012 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nccn2CC(F)(F)F)CCCC1(C)C ZINC000277688915 1038699609 /nfs/dbraw/zinc/69/96/09/1038699609.db2.gz GYCBZSKLKUCOSE-CYBMUJFWSA-N 1 1 315.383 4.012 20 30 DIEDMO CC(C)[N@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C#N)cc1 ZINC000342663254 1038709873 /nfs/dbraw/zinc/70/98/73/1038709873.db2.gz MBBDXKKOPBJRAN-UHFFFAOYSA-N 1 1 311.454 4.303 20 30 DIEDMO CC(C)[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccc(C#N)cc1 ZINC000342663254 1038709882 /nfs/dbraw/zinc/70/98/82/1038709882.db2.gz 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1039077168 /nfs/dbraw/zinc/07/71/68/1039077168.db2.gz GSKJDLNHYOJYMF-NHCUHLMSSA-N 1 1 312.501 4.329 20 30 DIEDMO COc1c(C)cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1C ZINC000442690068 1039122861 /nfs/dbraw/zinc/12/28/61/1039122861.db2.gz VDZWNEGFIUJWCD-INIZCTEOSA-N 1 1 308.425 4.377 20 30 DIEDMO N#CCCCCNc1[nH+]ccc2ccn(Cc3ccccc3)c21 ZINC001168428726 1039231694 /nfs/dbraw/zinc/23/16/94/1039231694.db2.gz BHZCDTUPCFNBKL-UHFFFAOYSA-N 1 1 304.397 4.190 20 30 DIEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1ccc(Cl)s1 ZINC000535978018 1039239512 /nfs/dbraw/zinc/23/95/12/1039239512.db2.gz MCCFGBCXILEWIG-UHFFFAOYSA-N 1 1 310.850 4.237 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000539830850 1039360709 /nfs/dbraw/zinc/36/07/09/1039360709.db2.gz ZBEPNPLTXFZMBR-MRXNPFEDSA-N 1 1 311.425 4.020 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157101643 1039399723 /nfs/dbraw/zinc/39/97/23/1039399723.db2.gz QMSNFVQEHKLRRM-OAHLLOKOSA-N 1 1 306.837 4.125 20 30 DIEDMO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1OCCCC#N ZINC000157508148 1039438432 /nfs/dbraw/zinc/43/84/32/1039438432.db2.gz SRSCJQVQTDUEMF-UHFFFAOYSA-N 1 1 316.445 4.142 20 30 DIEDMO C=CCCC[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000540539728 1039515365 /nfs/dbraw/zinc/51/53/65/1039515365.db2.gz QHEUUWPLCMFSIK-MRXNPFEDSA-N 1 1 314.473 4.146 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1Cl ZINC000353417289 1039523276 /nfs/dbraw/zinc/52/32/76/1039523276.db2.gz RVRWISFKRZMVLC-UHFFFAOYSA-N 1 1 304.821 4.030 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1Cl ZINC000353417289 1039523292 /nfs/dbraw/zinc/52/32/92/1039523292.db2.gz RVRWISFKRZMVLC-UHFFFAOYSA-N 1 1 304.821 4.030 20 30 DIEDMO CCN(CCC(C)(C)C#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000540667673 1039540133 /nfs/dbraw/zinc/54/01/33/1039540133.db2.gz HCGZRCOLDDKVDP-HKUYNNGSSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000540667673 1039540148 /nfs/dbraw/zinc/54/01/48/1039540148.db2.gz HCGZRCOLDDKVDP-HKUYNNGSSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000540667673 1039540160 /nfs/dbraw/zinc/54/01/60/1039540160.db2.gz HCGZRCOLDDKVDP-HKUYNNGSSA-N 1 1 313.489 4.084 20 30 DIEDMO CCN(CCC(C)(C)C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000540667674 1039540314 /nfs/dbraw/zinc/54/03/14/1039540314.db2.gz HCGZRCOLDDKVDP-IEBWSBKVSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000540667674 1039540324 /nfs/dbraw/zinc/54/03/24/1039540324.db2.gz HCGZRCOLDDKVDP-IEBWSBKVSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000540667674 1039540340 /nfs/dbraw/zinc/54/03/40/1039540340.db2.gz HCGZRCOLDDKVDP-IEBWSBKVSA-N 1 1 313.489 4.084 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)s1)[C@@H]2C ZINC000540994855 1039603295 /nfs/dbraw/zinc/60/32/95/1039603295.db2.gz CKDGPRPXFIHIFI-CHWSQXEVSA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)s1)[C@@H]2C ZINC000540994855 1039603302 /nfs/dbraw/zinc/60/33/02/1039603302.db2.gz CKDGPRPXFIHIFI-CHWSQXEVSA-N 1 1 312.438 4.136 20 30 DIEDMO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1ccc(C#N)cc1 ZINC000584211863 1039640045 /nfs/dbraw/zinc/64/00/45/1039640045.db2.gz XFGWVRIQVVZHNS-GOSISDBHSA-N 1 1 316.408 4.051 20 30 DIEDMO CCOc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541553598 1039703336 /nfs/dbraw/zinc/70/33/36/1039703336.db2.gz MCBIOGQDJCBWFU-UHFFFAOYSA-N 1 1 306.409 4.122 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000541643900 1039725168 /nfs/dbraw/zinc/72/51/68/1039725168.db2.gz JLSSDPXRODELEK-OAHLLOKOSA-N 1 1 317.392 4.258 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000542104209 1039792190 /nfs/dbraw/zinc/79/21/90/1039792190.db2.gz POXLHASYLZYCBQ-MOPGFXCFSA-N 1 1 310.466 4.452 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC000542104211 1039793835 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CC[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1OC ZINC000784345750 1039862687 /nfs/dbraw/zinc/86/26/87/1039862687.db2.gz HRADNFQHJOHYTF-KRWDZBQOSA-N 1 1 314.816 4.461 20 30 DIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150815 1039872399 /nfs/dbraw/zinc/87/23/99/1039872399.db2.gz CEIOPVPJNFVHAF-LIRRHRJNSA-N 1 1 306.409 4.439 20 30 DIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152231 1039872837 /nfs/dbraw/zinc/87/28/37/1039872837.db2.gz KNRLOFUIYRAUQV-AUUYWEPGSA-N 1 1 306.409 4.439 20 30 DIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cccc(C#N)c2)C2CC2)o1 ZINC000030152230 1039874175 /nfs/dbraw/zinc/87/41/75/1039874175.db2.gz KNRLOFUIYRAUQV-LIRRHRJNSA-N 1 1 306.409 4.439 20 30 DIEDMO C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000492329142 1039951489 /nfs/dbraw/zinc/95/14/89/1039951489.db2.gz LILUBLLKBSNGKO-NSHGMRRFSA-N 1 1 300.490 4.231 20 30 DIEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480531648 1039990591 /nfs/dbraw/zinc/99/05/91/1039990591.db2.gz QYYXHYNPGXOGPK-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1 ZINC000480531648 1039990603 /nfs/dbraw/zinc/99/06/03/1039990603.db2.gz QYYXHYNPGXOGPK-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)ccn1 ZINC000611941636 1040100121 /nfs/dbraw/zinc/10/01/21/1040100121.db2.gz BBFXCJQJUFGGMH-DVBCCOPCSA-N 1 1 323.465 4.473 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000177905709 1040145054 /nfs/dbraw/zinc/14/50/54/1040145054.db2.gz ZYNNOOMQNLETLX-GFCCVEGCSA-N 1 1 313.272 4.294 20 30 DIEDMO Cc1cnc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)s1 ZINC000185312939 1040217118 /nfs/dbraw/zinc/21/71/18/1040217118.db2.gz JVZJYGMDDCQVAU-MRXNPFEDSA-N 1 1 316.857 4.197 20 30 DIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000612058190 1040317765 /nfs/dbraw/zinc/31/77/65/1040317765.db2.gz PIIKJTHWAVJIMX-UHFFFAOYSA-N 1 1 318.342 4.403 20 30 DIEDMO C[C@@]1(C#N)CCC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC000612164650 1040464876 /nfs/dbraw/zinc/46/48/76/1040464876.db2.gz DIYZZWRJTGXONP-INIZCTEOSA-N 1 1 310.363 4.264 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)c1cccc(OC)c1 ZINC000179470429 1040465489 /nfs/dbraw/zinc/46/54/89/1040465489.db2.gz YRQJUFHMSCYECI-CYBMUJFWSA-N 1 1 300.427 4.211 20 30 DIEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(N(C)CCC#N)cc1 ZINC000179720705 1040527593 /nfs/dbraw/zinc/52/75/93/1040527593.db2.gz XXSAWZOLVQASFN-UHFFFAOYSA-N 1 1 313.470 4.120 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1cc(F)ccc1F ZINC000179788337 1040528337 /nfs/dbraw/zinc/52/83/37/1040528337.db2.gz QKHNUKNQGIHYHD-QGZVFWFLSA-N 1 1 316.351 4.086 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406706 1040582284 /nfs/dbraw/zinc/58/22/84/1040582284.db2.gz RHSZRHZVFPDNAX-OAQYLSRUSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406706 1040582299 /nfs/dbraw/zinc/58/22/99/1040582299.db2.gz RHSZRHZVFPDNAX-OAQYLSRUSA-N 1 1 320.436 4.488 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754505 1040661234 /nfs/dbraw/zinc/66/12/34/1040661234.db2.gz BOLXAEYVMUQLFJ-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)s1 ZINC000180015601 1040693599 /nfs/dbraw/zinc/69/35/99/1040693599.db2.gz OMWHPXWJEIGJJO-CQSZACIVSA-N 1 1 314.479 4.234 20 30 DIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000581951419 1040897815 /nfs/dbraw/zinc/89/78/15/1040897815.db2.gz AWRAOBSBTBRVJI-LLVKDONJSA-N 1 1 320.223 4.453 20 30 DIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000581951419 1040897825 /nfs/dbraw/zinc/89/78/25/1040897825.db2.gz AWRAOBSBTBRVJI-LLVKDONJSA-N 1 1 320.223 4.453 20 30 DIEDMO CC[N@@H+](CCCc1cnccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000582267785 1040913461 /nfs/dbraw/zinc/91/34/61/1040913461.db2.gz KNHJXDZTUKAWPA-KRWDZBQOSA-N 1 1 307.441 4.277 20 30 DIEDMO Cc1[nH+]c2cc(Nc3nc(C(C)(C)C)ccc3C#N)ccc2n1C ZINC000613426004 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C#Cc1ccc(C[N@H+](C)[C@H]2CCCc3nc(CC)sc32)cc1 ZINC000809586019 1041197845 /nfs/dbraw/zinc/19/78/45/1041197845.db2.gz GKYBXELJQUKQBH-KRWDZBQOSA-N 1 1 310.466 4.196 20 30 DIEDMO C[C@H](Nc1ccc([C@H]2CCCC[N@H+]2C)cn1)c1cccc(C#N)c1 ZINC001167707145 1041265194 /nfs/dbraw/zinc/26/51/94/1041265194.db2.gz GSUJCZTUODHYHS-HNAYVOBHSA-N 1 1 320.440 4.283 20 30 DIEDMO COc1ccc(C[N@H+](C)Cc2ccc3ccccc3c2)c(C#N)c1 ZINC001137706319 1041321532 /nfs/dbraw/zinc/32/15/32/1041321532.db2.gz WXHZTEDGECEJHJ-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc3ccccc3c2)c(C#N)c1 ZINC001137706319 1041321545 /nfs/dbraw/zinc/32/15/45/1041321545.db2.gz WXHZTEDGECEJHJ-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO C[C@H](Nc1[nH+]ccc2c3c([nH]c21)CCCC3)c1cccc(C#N)c1 ZINC001167710214 1041324708 /nfs/dbraw/zinc/32/47/08/1041324708.db2.gz MVCAYRIZZBSUPA-ZDUSSCGKSA-N 1 1 316.408 4.486 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC000480722540 1041383138 /nfs/dbraw/zinc/38/31/38/1041383138.db2.gz YJTZSNXURZBFFK-UHFFFAOYSA-N 1 1 307.235 4.085 20 30 DIEDMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2C#N)cc1C ZINC000480790363 1041458504 /nfs/dbraw/zinc/45/85/04/1041458504.db2.gz VTTNSAFAISNSJN-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2C#N)cc1C ZINC000480790363 1041458509 /nfs/dbraw/zinc/45/85/09/1041458509.db2.gz VTTNSAFAISNSJN-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000728711924 1041479220 /nfs/dbraw/zinc/47/92/20/1041479220.db2.gz OPIXKFKCKKXCQX-GFCCVEGCSA-N 1 1 318.779 4.060 20 30 DIEDMO C=CCC[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1CC(C)C ZINC001170633006 1041506729 /nfs/dbraw/zinc/50/67/29/1041506729.db2.gz RVZTYXNTJYLAAZ-IBGZPJMESA-N 1 1 320.908 4.448 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(Cl)cc1 ZINC000811516693 1041530376 /nfs/dbraw/zinc/53/03/76/1041530376.db2.gz SXUCITQCRZHSQG-SFHVURJKSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OCC=C)cc1)c1ccc(Cl)cc1 ZINC000811517594 1041530418 /nfs/dbraw/zinc/53/04/18/1041530418.db2.gz XAXGPRAWCQLQHY-IBGZPJMESA-N 1 1 311.812 4.369 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(Cl)cc1 ZINC000811516692 1041530579 /nfs/dbraw/zinc/53/05/79/1041530579.db2.gz SXUCITQCRZHSQG-GOSISDBHSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(Cl)cc1 ZINC000811516600 1041530914 /nfs/dbraw/zinc/53/09/14/1041530914.db2.gz QQJYJEQGIKEUCB-SFHVURJKSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2cnccc2c1)c1ccc(Cl)cc1 ZINC000811516193 1041534419 /nfs/dbraw/zinc/53/44/19/1041534419.db2.gz GOVSAYGGXVSLTF-LJQANCHMSA-N 1 1 306.796 4.352 20 30 DIEDMO C=C(C)C[N@@H+](CC)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000136194647 1041539674 /nfs/dbraw/zinc/53/96/74/1041539674.db2.gz ONLNDMNLLLVLGK-UHFFFAOYSA-N 1 1 302.462 4.229 20 30 DIEDMO C=C(C)COCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925529992 1041554254 /nfs/dbraw/zinc/55/42/54/1041554254.db2.gz AJLWWVNDLYVCNV-GOSISDBHSA-N 1 1 316.832 4.007 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190195752 1041580705 /nfs/dbraw/zinc/58/07/05/1041580705.db2.gz FZYXDLUZSMPZTN-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1C(F)(F)F ZINC000190195752 1041580709 /nfs/dbraw/zinc/58/07/09/1041580709.db2.gz FZYXDLUZSMPZTN-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1C(F)(F)F ZINC000190178316 1041581277 /nfs/dbraw/zinc/58/12/77/1041581277.db2.gz NNUYCTWHDYTZLH-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@@H]1C(F)(F)F ZINC000190178316 1041581283 /nfs/dbraw/zinc/58/12/83/1041581283.db2.gz NNUYCTWHDYTZLH-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c(O)c(OC)c1 ZINC000014308549 1041594445 /nfs/dbraw/zinc/59/44/45/1041594445.db2.gz VGAGCYSFXVUGNS-IBGZPJMESA-N 1 1 323.436 4.466 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505782 1041598420 /nfs/dbraw/zinc/59/84/20/1041598420.db2.gz NKAWWANMZOYREC-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505782 1041598423 /nfs/dbraw/zinc/59/84/23/1041598423.db2.gz NKAWWANMZOYREC-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000236690290 1041604458 /nfs/dbraw/zinc/60/44/58/1041604458.db2.gz GMXFYGOEXDOWPZ-UHFFFAOYSA-N 1 1 313.272 4.124 20 30 DIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)cc1 ZINC001170680780 1041631313 /nfs/dbraw/zinc/63/13/13/1041631313.db2.gz JEUNHTQYXDTWJI-LJQANCHMSA-N 1 1 308.400 4.249 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000812793836 1041650837 /nfs/dbraw/zinc/65/08/37/1041650837.db2.gz HCNYTOKNGNIMQL-MRXNPFEDSA-N 1 1 323.289 4.188 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1ccc(F)cc1 ZINC000812794210 1041651000 /nfs/dbraw/zinc/65/10/00/1041651000.db2.gz UXOQIVKYFRZCRC-SFHVURJKSA-N 1 1 309.384 4.003 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1ccc(F)cc1 ZINC000812792818 1041651036 /nfs/dbraw/zinc/65/10/36/1041651036.db2.gz IGPBJQWQYCAJHJ-HXUWFJFHSA-N 1 1 309.384 4.079 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(F)cc1C#N ZINC001141166460 1041654591 /nfs/dbraw/zinc/65/45/91/1041654591.db2.gz PEEGJNGMCPZJDI-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CCCCCCCCCC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC001125918489 1041710912 /nfs/dbraw/zinc/71/09/12/1041710912.db2.gz CCBIPTIFYSNCBV-UHFFFAOYSA-N 1 1 314.433 4.347 20 30 DIEDMO CCCCCOc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000418145852 1041732626 /nfs/dbraw/zinc/73/26/26/1041732626.db2.gz YYJJJOFJMSXKNB-UHFFFAOYSA-N 1 1 316.445 4.048 20 30 DIEDMO C=C(C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000397998016 1041747316 /nfs/dbraw/zinc/74/73/16/1041747316.db2.gz UJXJUUJYMDHMGL-SIKLNZKXSA-N 1 1 320.480 4.200 20 30 DIEDMO CCCCCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000814162185 1041781685 /nfs/dbraw/zinc/78/16/85/1041781685.db2.gz QMZIZQRFECSFBT-KRWDZBQOSA-N 1 1 308.510 4.070 20 30 DIEDMO C#CCCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000814171894 1041783435 /nfs/dbraw/zinc/78/34/35/1041783435.db2.gz YGYJXFQAQWIHMY-HXUWFJFHSA-N 1 1 320.436 4.067 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000814171894 1041783442 /nfs/dbraw/zinc/78/34/42/1041783442.db2.gz YGYJXFQAQWIHMY-HXUWFJFHSA-N 1 1 320.436 4.067 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000616873138 1041791869 /nfs/dbraw/zinc/79/18/69/1041791869.db2.gz OEYQGTCQLISPHX-LPHOPBHVSA-N 1 1 314.473 4.125 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000616873139 1041792063 /nfs/dbraw/zinc/79/20/63/1041792063.db2.gz OEYQGTCQLISPHX-QFBILLFUSA-N 1 1 314.473 4.125 20 30 DIEDMO CC(=NNc1nc2ccccc2s1)c1cccc(C[NH+](C)C)c1 ZINC000814685546 1041848974 /nfs/dbraw/zinc/84/89/74/1041848974.db2.gz RYDJDMCJFSUABN-UHFFFAOYSA-N 1 1 324.453 4.194 20 30 DIEDMO CC(=[NH+][N-]c1nc2ccccc2s1)c1cccc(C[NH+](C)C)c1 ZINC000814685546 1041848980 /nfs/dbraw/zinc/84/89/80/1041848980.db2.gz RYDJDMCJFSUABN-UHFFFAOYSA-N 1 1 324.453 4.194 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc2ccccc2o1 ZINC000815009296 1041902708 /nfs/dbraw/zinc/90/27/08/1041902708.db2.gz DFGOINXRMBGWNO-GOSISDBHSA-N 1 1 307.393 4.154 20 30 DIEDMO C=CCC(F)(F)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000815041249 1041908682 /nfs/dbraw/zinc/90/86/82/1041908682.db2.gz GJEKUNSUVCQJAQ-AWEZNQCLSA-N 1 1 322.399 4.068 20 30 DIEDMO C=CC[N@H+](Cc1coc(-c2cccc(Cl)c2)n1)[C@@H](C)COC ZINC000661244823 1041909858 /nfs/dbraw/zinc/90/98/58/1041909858.db2.gz VYUBWZHGLQSPSL-ZDUSSCGKSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CC[N@@H+](Cc1coc(-c2cccc(Cl)c2)n1)[C@@H](C)COC ZINC000661244823 1041909863 /nfs/dbraw/zinc/90/98/63/1041909863.db2.gz VYUBWZHGLQSPSL-ZDUSSCGKSA-N 1 1 320.820 4.018 20 30 DIEDMO C=CC[C@@H]1CC[C@@H]([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821120 1041923986 /nfs/dbraw/zinc/92/39/86/1041923986.db2.gz DEDWIDVSNKAGDO-SJLPKXTDSA-N 1 1 314.477 4.083 20 30 DIEDMO C=CC[C@H]1CC[C@H]([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821121 1041924580 /nfs/dbraw/zinc/92/45/80/1041924580.db2.gz DEDWIDVSNKAGDO-WMZOPIPTSA-N 1 1 314.477 4.083 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC000815150602 1041927952 /nfs/dbraw/zinc/92/79/52/1041927952.db2.gz BPDYFICPKXUZHI-RDJZCZTQSA-N 1 1 320.864 4.056 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC000815150601 1041928038 /nfs/dbraw/zinc/92/80/38/1041928038.db2.gz BPDYFICPKXUZHI-NVXWUHKLSA-N 1 1 320.864 4.056 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000661378249 1041929556 /nfs/dbraw/zinc/92/95/56/1041929556.db2.gz BDCUYNFHFVPLON-QGZVFWFLSA-N 1 1 314.473 4.345 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000661378532 1041929775 /nfs/dbraw/zinc/92/97/75/1041929775.db2.gz IGMXRVDSMVNOQU-CVEARBPZSA-N 1 1 311.429 4.394 20 30 DIEDMO CC(C)(C#N)CCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446071 1041953071 /nfs/dbraw/zinc/95/30/71/1041953071.db2.gz OJOVIHCCPKZVIY-KRWDZBQOSA-N 1 1 320.477 4.047 20 30 DIEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cccc(C(F)(F)F)c1O ZINC000815626943 1041977304 /nfs/dbraw/zinc/97/73/04/1041977304.db2.gz PCWQZEFUOWHLAZ-NSHDSACASA-N 1 1 314.351 4.392 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nc2c(s1)CCCC2 ZINC000093401120 1041983235 /nfs/dbraw/zinc/98/32/35/1041983235.db2.gz MNMXHYHKHWKJDH-STQMWFEESA-N 1 1 311.454 4.305 20 30 DIEDMO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)(C)C ZINC000661756282 1041988717 /nfs/dbraw/zinc/98/87/17/1041988717.db2.gz IPSZFBAYCBHRDA-UHFFFAOYSA-N 1 1 308.853 4.182 20 30 DIEDMO C=CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)C(C)(C)C ZINC000661755635 1041990388 /nfs/dbraw/zinc/99/03/88/1041990388.db2.gz WKUYZZROGIOBDG-UHFFFAOYSA-N 1 1 300.402 4.137 20 30 DIEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCc2ccccc21 ZINC000596982898 1041998808 /nfs/dbraw/zinc/99/88/08/1041998808.db2.gz MPYQQBBMZDQDEO-FQEVSTJZSA-N 1 1 302.421 4.361 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000662081803 1042056961 /nfs/dbraw/zinc/05/69/61/1042056961.db2.gz SAOBSYSKEZYGRC-OKZBNKHCSA-N 1 1 312.457 4.122 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000662081903 1042057207 /nfs/dbraw/zinc/05/72/07/1042057207.db2.gz STSNLVKMBHSATJ-ZACQAIPSSA-N 1 1 312.457 4.320 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662078094 1042057502 /nfs/dbraw/zinc/05/75/02/1042057502.db2.gz AJJSMAHJSLPZNL-SOUVJXGZSA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCc2ccccn2)cc1 ZINC000662084868 1042059273 /nfs/dbraw/zinc/05/92/73/1042059273.db2.gz XTGNLVLQAVMYLR-BGYRXZFFSA-N 1 1 320.436 4.344 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000662084165 1042059450 /nfs/dbraw/zinc/05/94/50/1042059450.db2.gz NOYDOIRRIWYIRI-HRCADAONSA-N 1 1 309.413 4.289 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc2ccccc2c1O ZINC000816564370 1042069402 /nfs/dbraw/zinc/06/94/02/1042069402.db2.gz CSSBZJHFXHAOJG-UHFFFAOYSA-N 1 1 307.393 4.369 20 30 DIEDMO C#CCCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816620872 1042075204 /nfs/dbraw/zinc/07/52/04/1042075204.db2.gz OZZALEZAYQNSRO-FQEVSTJZSA-N 1 1 320.436 4.067 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000816620872 1042075213 /nfs/dbraw/zinc/07/52/13/1042075213.db2.gz OZZALEZAYQNSRO-FQEVSTJZSA-N 1 1 320.436 4.067 20 30 DIEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H](C)c1ccsc1 ZINC000817287249 1042100039 /nfs/dbraw/zinc/10/00/39/1042100039.db2.gz LUKYDKWHQQKMEP-KBXCAEBGSA-N 1 1 314.454 4.125 20 30 DIEDMO C=CC1(CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136263012 1042195958 /nfs/dbraw/zinc/19/59/58/1042195958.db2.gz ARWOCGTUQWKLHR-SFHVURJKSA-N 1 1 320.521 4.141 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000822526847 1042288700 /nfs/dbraw/zinc/28/87/00/1042288700.db2.gz ZSPFLWZMRIHQMN-QGZVFWFLSA-N 1 1 318.420 4.153 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822526846 1042288906 /nfs/dbraw/zinc/28/89/06/1042288906.db2.gz ZSPFLWZMRIHQMN-KRWDZBQOSA-N 1 1 318.420 4.153 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000162693080 1042294606 /nfs/dbraw/zinc/29/46/06/1042294606.db2.gz NFBYBWZOFDRCBB-RHSMWYFYSA-N 1 1 312.438 4.376 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181757 1042307508 /nfs/dbraw/zinc/30/75/08/1042307508.db2.gz KWUNCLHHTKGWFM-SFTDATJTSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@H]([N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000187181757 1042307512 /nfs/dbraw/zinc/30/75/12/1042307512.db2.gz KWUNCLHHTKGWFM-SFTDATJTSA-N 1 1 319.452 4.308 20 30 DIEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000823643769 1042336879 /nfs/dbraw/zinc/33/68/79/1042336879.db2.gz RUTFNAVZMPLZCW-PMACEKPBSA-N 1 1 320.436 4.065 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1C(C)C)c1ccc(F)c(F)c1 ZINC000279945870 1042386448 /nfs/dbraw/zinc/38/64/48/1042386448.db2.gz ONFFMIASYSTZSM-KRWDZBQOSA-N 1 1 305.372 4.149 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000534331939 1042404733 /nfs/dbraw/zinc/40/47/33/1042404733.db2.gz UZHZTGBZPCNFGD-HXUWFJFHSA-N 1 1 321.424 4.101 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000573732140 1042412799 /nfs/dbraw/zinc/41/27/99/1042412799.db2.gz ICTJRFBFCPUOIP-IERDGZPVSA-N 1 1 318.420 4.089 20 30 DIEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164680 1042419956 /nfs/dbraw/zinc/41/99/56/1042419956.db2.gz PPLSQXGEJXGNNJ-UHFFFAOYSA-N 1 1 302.462 4.125 20 30 DIEDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614173026 1042421840 /nfs/dbraw/zinc/42/18/40/1042421840.db2.gz DNHKVJVUCNWQLU-INIZCTEOSA-N 1 1 320.436 4.443 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000614177565 1042422389 /nfs/dbraw/zinc/42/23/89/1042422389.db2.gz YITHYIIWJVNKOS-IBGZPJMESA-N 1 1 305.425 4.220 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000614176884 1042423553 /nfs/dbraw/zinc/42/35/53/1042423553.db2.gz SFGORZLXOIKCDJ-UHFFFAOYSA-N 1 1 308.400 4.185 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000614176884 1042423557 /nfs/dbraw/zinc/42/35/57/1042423557.db2.gz SFGORZLXOIKCDJ-UHFFFAOYSA-N 1 1 308.400 4.185 20 30 DIEDMO CC(C)CCc1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000575865002 1042426090 /nfs/dbraw/zinc/42/60/90/1042426090.db2.gz HCCOVHMTZFLOLO-UHFFFAOYSA-N 1 1 305.491 4.247 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000411487902 1042451963 /nfs/dbraw/zinc/45/19/63/1042451963.db2.gz NNTOYYZOASEMSL-OAHLLOKOSA-N 1 1 323.396 4.121 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000411487902 1042451967 /nfs/dbraw/zinc/45/19/67/1042451967.db2.gz NNTOYYZOASEMSL-OAHLLOKOSA-N 1 1 323.396 4.121 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000614396153 1042489860 /nfs/dbraw/zinc/48/98/60/1042489860.db2.gz 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20 30 DIEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H]1CCCO1 ZINC000514212005 1042774831 /nfs/dbraw/zinc/77/48/31/1042774831.db2.gz APNMMXVEJLRDIR-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO C[C@H](CC1CCOCC1)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365179 1042797653 /nfs/dbraw/zinc/79/76/53/1042797653.db2.gz JESGYVSKBSJDNY-HZPDHXFCSA-N 1 1 300.446 4.004 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1C(C)=CCC[C@@H]1C ZINC000515017419 1042805448 /nfs/dbraw/zinc/80/54/48/1042805448.db2.gz AFRSCMDSLDXUBV-LPHOPBHVSA-N 1 1 303.446 4.142 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)c1 ZINC000515744485 1042833054 /nfs/dbraw/zinc/83/30/54/1042833054.db2.gz KAEIIMURWTXRTQ-FQEVSTJZSA-N 1 1 306.409 4.083 20 30 DIEDMO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000425529691 1042837835 /nfs/dbraw/zinc/83/78/35/1042837835.db2.gz CNBHOLLBDCWMRN-MRXNPFEDSA-N 1 1 306.409 4.133 20 30 DIEDMO Cc1ccncc1CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000517057177 1042864587 /nfs/dbraw/zinc/86/45/87/1042864587.db2.gz JVJWWICXWYCMCO-NHCUHLMSSA-N 1 1 319.452 4.094 20 30 DIEDMO CC(C)(C)c1csc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000519037643 1042930398 /nfs/dbraw/zinc/93/03/98/1042930398.db2.gz INNQIFSDDCXPGZ-HNNXBMFYSA-N 1 1 311.454 4.089 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441072860 1043019164 /nfs/dbraw/zinc/01/91/64/1043019164.db2.gz XCIBMAPUQPFJRS-LLVKDONJSA-N 1 1 304.381 4.308 20 30 DIEDMO C=CCOc1ccc(C[NH2+]CCN(C(C)C)C(C)C)cc1Cl ZINC000520210940 1043025932 /nfs/dbraw/zinc/02/59/32/1043025932.db2.gz CWRPXCPLZZRCDM-UHFFFAOYSA-N 1 1 324.896 4.113 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322018 1043036030 /nfs/dbraw/zinc/03/60/30/1043036030.db2.gz FJZPLSVLAHGCIV-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322018 1043036033 /nfs/dbraw/zinc/03/60/33/1043036033.db2.gz FJZPLSVLAHGCIV-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332916 1043038346 /nfs/dbraw/zinc/03/83/46/1043038346.db2.gz SGJCIQMHTAYGMR-QRWLVFNGSA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332909 1043038575 /nfs/dbraw/zinc/03/85/75/1043038575.db2.gz SGJCIQMHTAYGMR-FOIQADDNSA-N 1 1 324.399 4.159 20 30 DIEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000441389422 1043043320 /nfs/dbraw/zinc/04/33/20/1043043320.db2.gz VKTDGESMJHKISD-OXJNMPFZSA-N 1 1 320.436 4.225 20 30 DIEDMO CC(C)(C)c1csc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000865547476 1043111885 /nfs/dbraw/zinc/11/18/85/1043111885.db2.gz WVNXTGIULSSWTA-HNNXBMFYSA-N 1 1 311.454 4.089 20 30 DIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476515 1043165287 /nfs/dbraw/zinc/16/52/87/1043165287.db2.gz KAQKZDHPGKBDLN-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000487391074 1043180354 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CCC(CC)(CN[C@@H]1CC[C@H](C#N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000442774351 1043417013 /nfs/dbraw/zinc/41/70/13/1043417013.db2.gz AHCHZIRRDYCZLI-ZIFCJYIRSA-N 1 1 313.489 4.178 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(OC)n1 ZINC000925601615 1043435257 /nfs/dbraw/zinc/43/52/57/1043435257.db2.gz MJPNPHUEMXTFRR-SJORKVTESA-N 1 1 309.413 4.176 20 30 DIEDMO CC[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc(OC)n1 ZINC000925601614 1043435365 /nfs/dbraw/zinc/43/53/65/1043435365.db2.gz MJPNPHUEMXTFRR-IRXDYDNUSA-N 1 1 309.413 4.176 20 30 DIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117307 1043442605 /nfs/dbraw/zinc/44/26/05/1043442605.db2.gz PJGIYCXRWBQFEI-HNAYVOBHSA-N 1 1 310.828 4.170 20 30 DIEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000348526275 1043457464 /nfs/dbraw/zinc/45/74/64/1043457464.db2.gz SOLLUDRIAMCVPN-HNNXBMFYSA-N 1 1 319.408 4.100 20 30 DIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H](C)c1cccc(O)c1 ZINC000348526275 1043457467 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C=C(C)C[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000521859889 1043495088 /nfs/dbraw/zinc/49/50/88/1043495088.db2.gz XOCJVLMYPVZPOS-ZDUSSCGKSA-N 1 1 301.352 4.291 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N2CCCC2)o1)[C@@H]1CCc2ccccc21 ZINC001137067714 1043513511 /nfs/dbraw/zinc/51/35/11/1043513511.db2.gz FQTPKZLXEFJLBC-HXUWFJFHSA-N 1 1 320.436 4.003 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(N2CCCC2)o1)[C@@H]1CCc2ccccc21 ZINC001137067714 1043513526 /nfs/dbraw/zinc/51/35/26/1043513526.db2.gz FQTPKZLXEFJLBC-HXUWFJFHSA-N 1 1 320.436 4.003 20 30 DIEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC=C(C)C ZINC001275067108 1043569792 /nfs/dbraw/zinc/56/97/92/1043569792.db2.gz OGAYUIQMEHYFSJ-AZUAARDMSA-N 1 1 318.505 4.012 20 30 DIEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275068307 1043571069 /nfs/dbraw/zinc/57/10/69/1043571069.db2.gz GGRDFUVYCHVCSO-AZUAARDMSA-N 1 1 318.505 4.012 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](CC)CCCC)CC2)C1=O ZINC001275081730 1043572391 /nfs/dbraw/zinc/57/23/91/1043572391.db2.gz IGBHEPXMJZQAMA-ICSRJNTNSA-N 1 1 320.521 4.093 20 30 DIEDMO CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001275115296 1043575655 /nfs/dbraw/zinc/57/56/55/1043575655.db2.gz UPQWPVIYGVOZRW-IBGZPJMESA-N 1 1 308.510 4.070 20 30 DIEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H](C)CCC=C(C)C ZINC001275123336 1043576709 /nfs/dbraw/zinc/57/67/09/1043576709.db2.gz DPQGQMWCYZIYEO-IPMKNSEASA-N 1 1 318.505 4.010 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000124964611 1043578823 /nfs/dbraw/zinc/57/88/23/1043578823.db2.gz CUCRLNYSVLDOHP-FXAWDEMLSA-N 1 1 320.436 4.185 20 30 DIEDMO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000558738307 1043584600 /nfs/dbraw/zinc/58/46/00/1043584600.db2.gz SKJWCFHWFIBFAK-LBPRGKRZSA-N 1 1 323.421 4.434 20 30 DIEDMO COc1ccc([C@H]([NH2+][C@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549986 1043598692 /nfs/dbraw/zinc/59/86/92/1043598692.db2.gz IEEFFYQZHNWZCL-KDOFPFPSSA-N 1 1 312.413 4.296 20 30 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/nfs/dbraw/zinc/77/09/60/1045770960.db2.gz LLZAPGPOMJLFHK-FQEVSTJZSA-N 1 1 306.409 4.185 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753988414 1045827201 /nfs/dbraw/zinc/82/72/01/1045827201.db2.gz QCNWVWMFENYWOD-CYBMUJFWSA-N 1 1 320.392 4.416 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1cc2oc3ccccc3c2cc1O)C1CC1 ZINC000753988414 1045827220 /nfs/dbraw/zinc/82/72/20/1045827220.db2.gz QCNWVWMFENYWOD-CYBMUJFWSA-N 1 1 320.392 4.416 20 30 DIEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1cc2ccccc2o1 ZINC000801915445 1045834872 /nfs/dbraw/zinc/83/48/72/1045834872.db2.gz LIKJPWWQZNHNTL-HUUCEWRRSA-N 1 1 300.402 4.134 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913164 1045836008 /nfs/dbraw/zinc/83/60/08/1045836008.db2.gz QZCSQGYMSAIIMY-NHYWBVRUSA-N 1 1 313.228 4.059 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913164 1045836026 /nfs/dbraw/zinc/83/60/26/1045836026.db2.gz QZCSQGYMSAIIMY-NHYWBVRUSA-N 1 1 313.228 4.059 20 30 DIEDMO C=C(C)CCC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001125051778 1045843892 /nfs/dbraw/zinc/84/38/92/1045843892.db2.gz TUZKNVCEBODAOT-QGZVFWFLSA-N 1 1 314.473 4.034 20 30 DIEDMO CC[N@@H+](CCO[C@@H](C)C#N)C(c1ccccc1)c1ccccc1 ZINC000801931970 1045850240 /nfs/dbraw/zinc/85/02/40/1045850240.db2.gz FGAIKUAYPBBMHY-KRWDZBQOSA-N 1 1 308.425 4.027 20 30 DIEDMO CC(C)=CC[N@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953900 1045859256 /nfs/dbraw/zinc/85/92/56/1045859256.db2.gz YILJMUGBTRWJRK-OAHLLOKOSA-N 1 1 306.837 4.037 20 30 DIEDMO C=CC[N@@H+](Cc1csc(Br)n1)C1CCCCC1 ZINC001137585593 1045899395 /nfs/dbraw/zinc/89/93/95/1045899395.db2.gz CCKCREIFBABLFE-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C=CC[N@H+](Cc1csc(Br)n1)C1CCCCC1 ZINC001137585593 1045899403 /nfs/dbraw/zinc/89/94/03/1045899403.db2.gz CCKCREIFBABLFE-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C=CCCCC(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000802146735 1045908367 /nfs/dbraw/zinc/90/83/67/1045908367.db2.gz AKXFTEUJFIXVFX-APWZRJJASA-N 1 1 319.420 4.061 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC001137639262 1045913925 /nfs/dbraw/zinc/91/39/25/1045913925.db2.gz VAGVYEKWQZBSRQ-UHFFFAOYSA-N 1 1 307.235 4.109 20 30 DIEDMO COc1cccc(N[NH+]=C(C)c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000754714885 1045918046 /nfs/dbraw/zinc/91/80/46/1045918046.db2.gz ZBARDZQDRLDXIC-UHFFFAOYSA-N 1 1 324.211 4.420 20 30 DIEDMO Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)c1F ZINC001137679933 1045932644 /nfs/dbraw/zinc/93/26/44/1045932644.db2.gz DFVPJOSLCJZACA-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)c(C#N)c1 ZINC001137698207 1045938802 /nfs/dbraw/zinc/93/88/02/1045938802.db2.gz NWNVQXVBOVKFDY-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c(C#N)c1 ZINC001137704920 1045939331 /nfs/dbraw/zinc/93/93/31/1045939331.db2.gz ZNNLAWZNRVWUAV-GOSISDBHSA-N 1 1 320.436 4.337 20 30 DIEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccc(F)cc2)c2ccccn21 ZINC000755626160 1046002186 /nfs/dbraw/zinc/00/21/86/1046002186.db2.gz KVBMWHZBCIMZOW-ZHACJKMWSA-N 1 1 308.356 4.493 20 30 DIEDMO COc1ccc(C(=O)/C=C\c2[nH+]c(C(C)C)n3ccccc23)cc1 ZINC000755626128 1046002387 /nfs/dbraw/zinc/00/23/87/1046002387.db2.gz JVVDABUFZFAXML-QXMHVHEDSA-N 1 1 320.392 4.362 20 30 DIEDMO Cc1ccc(N(C)c2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc2)cc1 ZINC001137898556 1046005187 /nfs/dbraw/zinc/00/51/87/1046005187.db2.gz YJDVCJRCGQLHGQ-SFHVURJKSA-N 1 1 305.425 4.108 20 30 DIEDMO Cc1ccc(N(C)c2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc2)cc1 ZINC001137898556 1046005200 /nfs/dbraw/zinc/00/52/00/1046005200.db2.gz YJDVCJRCGQLHGQ-SFHVURJKSA-N 1 1 305.425 4.108 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)C1 ZINC000829788940 1046006195 /nfs/dbraw/zinc/00/61/95/1046006195.db2.gz KESPAKZQKKRCNH-DLBZAZTESA-N 1 1 323.440 4.150 20 30 DIEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3n2C(F)F)C1 ZINC000829779436 1046006384 /nfs/dbraw/zinc/00/63/84/1046006384.db2.gz USGMOYBCERKTMR-KGLIPLIRSA-N 1 1 317.383 4.228 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000755670241 1046006524 /nfs/dbraw/zinc/00/65/24/1046006524.db2.gz OVIJPIKXGUCJST-UHFFFAOYSA-N 1 1 315.244 4.244 20 30 DIEDMO CC(C)C[N@H+](CCC#N)CCOc1ccc(Cl)cc1Cl ZINC000755670241 1046006537 /nfs/dbraw/zinc/00/65/37/1046006537.db2.gz OVIJPIKXGUCJST-UHFFFAOYSA-N 1 1 315.244 4.244 20 30 DIEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1 ZINC000829778896 1046007067 /nfs/dbraw/zinc/00/70/67/1046007067.db2.gz JWIUURCUIDYMNQ-ZDUSSCGKSA-N 1 1 302.468 4.107 20 30 DIEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1 ZINC000829768250 1046007360 /nfs/dbraw/zinc/00/73/60/1046007360.db2.gz AMAQXNJGFIKYCA-ZDUSSCGKSA-N 1 1 302.468 4.107 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC001137955379 1046033243 /nfs/dbraw/zinc/03/32/43/1046033243.db2.gz XBQBNRICEQWKGP-GFCCVEGCSA-N 1 1 314.376 4.424 20 30 DIEDMO CC(N=Nc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779754687 1046056635 /nfs/dbraw/zinc/05/66/35/1046056635.db2.gz VBWLMCAQLJXMIO-QGZVFWFLSA-N 1 1 311.404 4.136 20 30 DIEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902756091 1046062612 /nfs/dbraw/zinc/06/26/12/1046062612.db2.gz BMYCJZFOWHTKJY-SUMWQHHRSA-N 1 1 309.413 4.219 20 30 DIEDMO Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902765652 1046065304 /nfs/dbraw/zinc/06/53/04/1046065304.db2.gz RULDOEHYYAGINQ-KGLIPLIRSA-N 1 1 305.381 4.420 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902784303 1046066439 /nfs/dbraw/zinc/06/64/39/1046066439.db2.gz SJUGWWXRVWCLFW-YOEHRIQHSA-N 1 1 309.413 4.154 20 30 DIEDMO COc1ccc(N=NC(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000779786061 1046066624 /nfs/dbraw/zinc/06/66/24/1046066624.db2.gz YCWJLSKTSDQJLY-SFHVURJKSA-N 1 1 323.440 4.005 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902784302 1046066985 /nfs/dbraw/zinc/06/69/85/1046066985.db2.gz SJUGWWXRVWCLFW-WMLDXEAASA-N 1 1 309.413 4.154 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051570 1046075194 /nfs/dbraw/zinc/07/51/94/1046075194.db2.gz AMTAITUYGVRESD-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC001138051570 1046075208 /nfs/dbraw/zinc/07/52/08/1046075208.db2.gz AMTAITUYGVRESD-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c2ccccc12 ZINC001138062587 1046080607 /nfs/dbraw/zinc/08/06/07/1046080607.db2.gz RKXDBQKZMCKVRC-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO C[C@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000902836357 1046081985 /nfs/dbraw/zinc/08/19/85/1046081985.db2.gz GSSFHKUNCVULDG-KSSFIOAISA-N 1 1 319.408 4.050 20 30 DIEDMO CCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902840611 1046083651 /nfs/dbraw/zinc/08/36/51/1046083651.db2.gz DTLYWPDCAANSEI-PXAZEXFGSA-N 1 1 315.367 4.423 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079958 1046083641 /nfs/dbraw/zinc/08/36/41/1046083641.db2.gz IGQVCYUZTUYWGU-SFHVURJKSA-N 1 1 320.436 4.391 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001138079957 1046083695 /nfs/dbraw/zinc/08/36/95/1046083695.db2.gz IGQVCYUZTUYWGU-GOSISDBHSA-N 1 1 320.436 4.391 20 30 DIEDMO CC(=NNc1cc[nH+]cc1)c1sc(-c2ccc(C)cc2)nc1C ZINC000779807489 1046085799 /nfs/dbraw/zinc/08/57/99/1046085799.db2.gz ZFRPTYXGEINZCX-UHFFFAOYSA-N 1 1 322.437 4.080 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001138085508 1046086636 /nfs/dbraw/zinc/08/66/36/1046086636.db2.gz JRSSAKKKKLXOSJ-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001138085508 1046086654 /nfs/dbraw/zinc/08/66/54/1046086654.db2.gz JRSSAKKKKLXOSJ-LLVKDONJSA-N 1 1 301.739 4.204 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1C(F)(F)F ZINC001138092303 1046088448 /nfs/dbraw/zinc/08/84/48/1046088448.db2.gz BXMVWTOMXKFJJE-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000756569334 1046099876 /nfs/dbraw/zinc/09/98/76/1046099876.db2.gz MQZSJLDCHRZVRQ-LBPRGKRZSA-N 1 1 319.351 4.086 20 30 DIEDMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1cc(C#N)ccn1 ZINC000902899645 1046104528 /nfs/dbraw/zinc/10/45/28/1046104528.db2.gz RXQKIQPAKHNFQZ-HNNXBMFYSA-N 1 1 306.413 4.117 20 30 DIEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000756776525 1046132496 /nfs/dbraw/zinc/13/24/96/1046132496.db2.gz PUTJSDRZKUGFBA-SJKOYZFVSA-N 1 1 301.336 4.086 20 30 DIEDMO C#CC[N@@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCc2ccccc21 ZINC000756812019 1046138975 /nfs/dbraw/zinc/13/89/75/1046138975.db2.gz GRGIKDQJWFESLN-SFHVURJKSA-N 1 1 320.367 4.090 20 30 DIEDMO C#CC[N@H+](Cc1nc2cc(F)ccc2o1)[C@H]1CCc2ccccc21 ZINC000756812019 1046138981 /nfs/dbraw/zinc/13/89/81/1046138981.db2.gz GRGIKDQJWFESLN-SFHVURJKSA-N 1 1 320.367 4.090 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2nccnc12)C1CCCCCCC1 ZINC001138303414 1046142648 /nfs/dbraw/zinc/14/26/48/1046142648.db2.gz WZFOZBGNVKYCSQ-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO N#CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)CCC1 ZINC000903035421 1046145332 /nfs/dbraw/zinc/14/53/32/1046145332.db2.gz OXJZLERMPBVCAC-LJQANCHMSA-N 1 1 305.425 4.039 20 30 DIEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)[C@@H](C)C1 ZINC001138336042 1046152808 /nfs/dbraw/zinc/15/28/08/1046152808.db2.gz IMJUPWFRTDMTHK-AVRDEDQJSA-N 1 1 319.448 4.086 20 30 DIEDMO C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)Cc1cccnc1 ZINC001138333458 1046153008 /nfs/dbraw/zinc/15/30/08/1046153008.db2.gz CVRGPUWVUKTHMX-UHFFFAOYSA-N 1 1 312.416 4.113 20 30 DIEDMO C#CCOc1ccc(C[N@@H+](Cc2ccccc2)C(C)C)cc1OC ZINC001138341117 1046154621 /nfs/dbraw/zinc/15/46/21/1046154621.db2.gz IAVVRHZDBWUAFU-UHFFFAOYSA-N 1 1 323.436 4.118 20 30 DIEDMO N#Cc1cnccc1C[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001168148089 1046154759 /nfs/dbraw/zinc/15/47/59/1046154759.db2.gz YPGCKYRUSHBSEH-KUFMOJEASA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1cnccc1C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC001168148089 1046154765 /nfs/dbraw/zinc/15/47/65/1046154765.db2.gz YPGCKYRUSHBSEH-KUFMOJEASA-N 1 1 317.436 4.411 20 30 DIEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1OC ZINC001138345400 1046155033 /nfs/dbraw/zinc/15/50/33/1046155033.db2.gz FGTYVWLGSDNAOF-LJQANCHMSA-N 1 1 321.420 4.044 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2ccccc2c1OC(F)F ZINC000903101153 1046162557 /nfs/dbraw/zinc/16/25/57/1046162557.db2.gz BJSFELJXWWXBPL-GFCCVEGCSA-N 1 1 316.351 4.396 20 30 DIEDMO Cc1c([C@@H](C)[NH2+]CC(C)(C)C#N)cnn1-c1cccc(Cl)c1 ZINC000903100221 1046162741 /nfs/dbraw/zinc/16/27/41/1046162741.db2.gz KOJLVNADNWUIIM-GFCCVEGCSA-N 1 1 316.836 4.035 20 30 DIEDMO Cc1nc(-c2cc([C@H](C)[NH2+]CC(C)(C)C#N)cs2)cs1 ZINC000903100599 1046163305 /nfs/dbraw/zinc/16/33/05/1046163305.db2.gz ULQYYZASJRYMBI-JTQLQIEISA-N 1 1 305.472 4.380 20 30 DIEDMO Cc1cc([C@H](C)[NH2+]CC(C)(C)C#N)sc1Br ZINC000903101231 1046163519 /nfs/dbraw/zinc/16/35/19/1046163519.db2.gz CWJAEGNHDSKZQG-VIFPVBQESA-N 1 1 301.253 4.019 20 30 DIEDMO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106576 1046164717 /nfs/dbraw/zinc/16/47/17/1046164717.db2.gz RSBKJEFVBREGJC-LLVKDONJSA-N 1 1 315.417 4.212 20 30 DIEDMO Cc1nc(-c2cc([C@H](C)[NH2+]CC3(C#N)CC3)cs2)cs1 ZINC000903106329 1046165275 /nfs/dbraw/zinc/16/52/75/1046165275.db2.gz NYINDGVDQZKGBB-JTQLQIEISA-N 1 1 303.456 4.134 20 30 DIEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)ccc1SC ZINC000903107884 1046166008 /nfs/dbraw/zinc/16/60/08/1046166008.db2.gz HHUZWULMNNYHTK-CYBMUJFWSA-N 1 1 304.459 4.152 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000903106625 1046166148 /nfs/dbraw/zinc/16/61/48/1046166148.db2.gz SYSWTCOHLLAHGH-VIFPVBQESA-N 1 1 313.626 4.057 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2c(F)cccc2C1 ZINC000757145675 1046168832 /nfs/dbraw/zinc/16/88/32/1046168832.db2.gz KXMACXVOWJIPIX-UHFFFAOYSA-N 1 1 308.400 4.185 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Oc3ccccc3)o2)cc1 ZINC000779966102 1046179335 /nfs/dbraw/zinc/17/93/35/1046179335.db2.gz ZZPWLHNAKDBMKE-UHFFFAOYSA-N 1 1 304.349 4.233 20 30 DIEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CCCCC1 ZINC001138440063 1046182232 /nfs/dbraw/zinc/18/22/32/1046182232.db2.gz BRFRXOUODVMXCO-UHFFFAOYSA-N 1 1 303.446 4.333 20 30 DIEDMO COc1cc(C[N@@H+](CCc2ccccc2)C(C)C)ccc1C#N ZINC001204697244 1046204744 /nfs/dbraw/zinc/20/47/44/1046204744.db2.gz NPHJXXIYVFUVLC-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO C=CC[N@H+](Cc1c[nH]c2ccc(OC)cc12)Cc1ccccc1 ZINC001138510230 1046205948 /nfs/dbraw/zinc/20/59/48/1046205948.db2.gz TWVXKUBEAJAPFJ-UHFFFAOYSA-N 1 1 306.409 4.365 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635844868 1046206129 /nfs/dbraw/zinc/20/61/29/1046206129.db2.gz UOTMQJXMFHQGEI-UHFFFAOYSA-N 1 1 316.489 4.455 20 30 DIEDMO CCCCOc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903262934 1046214169 /nfs/dbraw/zinc/21/41/69/1046214169.db2.gz JOLODAGWVQVONF-CYBMUJFWSA-N 1 1 315.442 4.044 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000757905313 1046226228 /nfs/dbraw/zinc/22/62/28/1046226228.db2.gz HKYCUSBZFOTUCL-UHFFFAOYSA-N 1 1 312.388 4.044 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC001138556183 1046226638 /nfs/dbraw/zinc/22/66/38/1046226638.db2.gz JEWOJWZGQDVMIE-FQEVSTJZSA-N 1 1 309.384 4.175 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000831938098 1046228001 /nfs/dbraw/zinc/22/80/01/1046228001.db2.gz YEHLUIJWCXNMEH-IRXDYDNUSA-N 1 1 308.510 4.140 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1N1CCCCC1)C1CCCC1 ZINC001138605811 1046239605 /nfs/dbraw/zinc/23/96/05/1046239605.db2.gz SEWVAHPVHJKMRC-UHFFFAOYSA-N 1 1 311.473 4.335 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1N1CCCCC1)C1CCCC1 ZINC001138605811 1046239620 /nfs/dbraw/zinc/23/96/20/1046239620.db2.gz SEWVAHPVHJKMRC-UHFFFAOYSA-N 1 1 311.473 4.335 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903329211 1046240785 /nfs/dbraw/zinc/24/07/85/1046240785.db2.gz QFYHILQPVGVLQH-RDTXWAMCSA-N 1 1 308.429 4.095 20 30 DIEDMO Cc1cc(N=NC2CCC[N@H+](C)CC2)nc2ccc(Cl)cc12 ZINC000758099658 1046245681 /nfs/dbraw/zinc/24/56/81/1046245681.db2.gz MYHYPCUSSKIPDE-UHFFFAOYSA-N 1 1 316.836 4.080 20 30 DIEDMO CC(=[NH+]Nc1cccc(Br)c1)c1ccc(N)cc1C ZINC000758097635 1046246817 /nfs/dbraw/zinc/24/68/17/1046246817.db2.gz FTPPKCMUFQJGFK-UHFFFAOYSA-N 1 1 318.218 4.176 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC001138629447 1046247171 /nfs/dbraw/zinc/24/71/71/1046247171.db2.gz ZGPYIIGHKHJCDC-IBGZPJMESA-N 1 1 308.425 4.243 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC001138630903 1046249421 /nfs/dbraw/zinc/24/94/21/1046249421.db2.gz FXLGUUYNCSGACH-OXJNMPFZSA-N 1 1 323.436 4.083 20 30 DIEDMO C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1O ZINC001138629832 1046249831 /nfs/dbraw/zinc/24/98/31/1046249831.db2.gz IICRAMXOOHDMGR-HDICACEKSA-N 1 1 305.421 4.207 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)c1O ZINC001138629666 1046249948 /nfs/dbraw/zinc/24/99/48/1046249948.db2.gz DZNAXOXSNVPDRZ-SFHVURJKSA-N 1 1 323.436 4.119 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001138665820 1046259385 /nfs/dbraw/zinc/25/93/85/1046259385.db2.gz XGHMIXFRMCQYKA-FQEVSTJZSA-N 1 1 322.452 4.244 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](C)CCC(=O)c1ccccc1 ZINC001138665274 1046261207 /nfs/dbraw/zinc/26/12/07/1046261207.db2.gz KVJLTVYKBCHJCF-UHFFFAOYSA-N 1 1 323.436 4.346 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)cc1 ZINC000245710863 1046262041 /nfs/dbraw/zinc/26/20/41/1046262041.db2.gz FYISTDXTVXHQLG-WWMYMODYSA-N 1 1 320.436 4.355 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1ccccc1N1CCC(O)CC1 ZINC001138760437 1046289869 /nfs/dbraw/zinc/28/98/69/1046289869.db2.gz IFRWPKPWBHPIIW-UHFFFAOYSA-N 1 1 318.505 4.050 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1ccnn1[C@H]1CCCCO1 ZINC001138780658 1046291355 /nfs/dbraw/zinc/29/13/55/1046291355.db2.gz YMDBQMBQDIKMFX-GOSISDBHSA-N 1 1 307.482 4.375 20 30 DIEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000245970590 1046292241 /nfs/dbraw/zinc/29/22/41/1046292241.db2.gz FLCRSVKJASWOFK-NHCUHLMSSA-N 1 1 320.436 4.046 20 30 DIEDMO C[C@@H](Nc1cccc2cc[nH+]cc21)c1ccc(OCC#N)cc1 ZINC000321479612 1046294643 /nfs/dbraw/zinc/29/46/43/1046294643.db2.gz VFHDMAROOJRVAJ-CQSZACIVSA-N 1 1 303.365 4.310 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001168185247 1046319565 /nfs/dbraw/zinc/31/95/65/1046319565.db2.gz YVBWIRBLBAGQDE-CQSZACIVSA-N 1 1 310.828 4.201 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001168185246 1046319663 /nfs/dbraw/zinc/31/96/63/1046319663.db2.gz YVBWIRBLBAGQDE-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO Cc1ccc(C2=CC[N@@H+](CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000795386229 1046325024 /nfs/dbraw/zinc/32/50/24/1046325024.db2.gz NXDHWAMIVFSZER-UHFFFAOYSA-N 1 1 318.420 4.035 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918668 1046326000 /nfs/dbraw/zinc/32/60/00/1046326000.db2.gz MQZWVGIPLZOFRE-UHFFFAOYSA-N 1 1 305.425 4.457 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918668 1046326005 /nfs/dbraw/zinc/32/60/05/1046326005.db2.gz MQZWVGIPLZOFRE-UHFFFAOYSA-N 1 1 305.425 4.457 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC001138918868 1046326160 /nfs/dbraw/zinc/32/61/60/1046326160.db2.gz QOCVLSMAEXFCRP-INIZCTEOSA-N 1 1 317.436 4.457 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc21 ZINC001138918553 1046327631 /nfs/dbraw/zinc/32/76/31/1046327631.db2.gz IGWOPJPDCDINAL-MRXNPFEDSA-N 1 1 317.436 4.457 20 30 DIEDMO CCCCCCCCCN(C)C(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001442105550 1046377074 /nfs/dbraw/zinc/37/70/74/1046377074.db2.gz MLPHXWHXGSZCHW-SFHVURJKSA-N 1 1 310.526 4.316 20 30 DIEDMO CCn1ccc2ccc(C[N@H+]3CCc4cc(C#N)ccc4C3)cc21 ZINC001139119105 1046388724 /nfs/dbraw/zinc/38/87/24/1046388724.db2.gz BVZVEVRQWUCYQE-UHFFFAOYSA-N 1 1 315.420 4.091 20 30 DIEDMO CCn1ccc2ccc(C[N@H+]3CCc4ccc(C#N)cc4C3)cc21 ZINC001139122092 1046388803 /nfs/dbraw/zinc/38/88/03/1046388803.db2.gz RKOMFSXORSBPNY-UHFFFAOYSA-N 1 1 315.420 4.091 20 30 DIEDMO CC[N@@H+](Cc1cccc(SC(F)(F)F)c1)C[C@H](C)C#N ZINC000781327636 1046439445 /nfs/dbraw/zinc/43/94/45/1046439445.db2.gz KOOZEFWFBSLACV-LLVKDONJSA-N 1 1 302.365 4.280 20 30 DIEDMO CC[N@H+](Cc1cccc(SC(F)(F)F)c1)C[C@H](C)C#N ZINC000781327636 1046439449 /nfs/dbraw/zinc/43/94/49/1046439449.db2.gz KOOZEFWFBSLACV-LLVKDONJSA-N 1 1 302.365 4.280 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139405096 1046443571 /nfs/dbraw/zinc/44/35/71/1046443571.db2.gz IXZRLWKGGLFFHL-IBGZPJMESA-N 1 1 305.425 4.385 20 30 DIEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139401506 1046444000 /nfs/dbraw/zinc/44/40/00/1046444000.db2.gz AUIQELXDQHDVEW-HXUWFJFHSA-N 1 1 323.415 4.334 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H]4CCC[C@H]43)cc2)c1 ZINC001139405479 1046444127 /nfs/dbraw/zinc/44/41/27/1046444127.db2.gz REYKTXXGAGDQGZ-PZJWPPBQSA-N 1 1 317.436 4.385 20 30 DIEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139404894 1046444196 /nfs/dbraw/zinc/44/41/96/1046444196.db2.gz DEPXHACSCOUNAU-MRXNPFEDSA-N 1 1 305.425 4.242 20 30 DIEDMO CCC[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CC1 ZINC001139424561 1046448452 /nfs/dbraw/zinc/44/84/52/1046448452.db2.gz RFNPVDXMARAZED-UHFFFAOYSA-N 1 1 321.424 4.368 20 30 DIEDMO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC(C)(C)C ZINC001139425705 1046449149 /nfs/dbraw/zinc/44/91/49/1046449149.db2.gz USUSGCMTPCANBW-UHFFFAOYSA-N 1 1 309.413 4.223 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425906 1046449224 /nfs/dbraw/zinc/44/92/24/1046449224.db2.gz XYJIRWUVJHJFJT-CVEARBPZSA-N 1 1 321.424 4.366 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc2ccc(Br)cc2[nH]1 ZINC001139473773 1046453277 /nfs/dbraw/zinc/45/32/77/1046453277.db2.gz SZNDWPLFAYTSAG-UHFFFAOYSA-N 1 1 307.235 4.328 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-c2ccccc2)nc1 ZINC001139518145 1046459937 /nfs/dbraw/zinc/45/99/37/1046459937.db2.gz OIKUHFIBEJGEAU-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C#CC[N@@H+](Cc1cnc2ccccc2c1)[C@@H]1CCc2ccccc21 ZINC001137282246 1046460368 /nfs/dbraw/zinc/46/03/68/1046460368.db2.gz MWKUVPWIQYPYAB-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CCCCC2)cc1F ZINC001139529093 1046462751 /nfs/dbraw/zinc/46/27/51/1046462751.db2.gz JNPBAPFSZWYAJT-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)cc1F ZINC001139529359 1046463540 /nfs/dbraw/zinc/46/35/40/1046463540.db2.gz ORILYUUOFMCDPZ-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC001139531251 1046464465 /nfs/dbraw/zinc/46/44/65/1046464465.db2.gz SKAZYEQWCXYOHK-GOSISDBHSA-N 1 1 324.399 4.086 20 30 DIEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1C(C)C ZINC001139618499 1046488946 /nfs/dbraw/zinc/48/89/46/1046488946.db2.gz ZPXQRCHOZDCGGR-UHFFFAOYSA-N 1 1 300.446 4.477 20 30 DIEDMO C=CCCC[C@@H](C)n1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641234871 1046490385 /nfs/dbraw/zinc/49/03/85/1046490385.db2.gz VWDMUPWMRQGVSA-BZNIZROVSA-N 1 1 322.815 4.036 20 30 DIEDMO C=CC[N@@H+](Cc1[nH]nc2ccc(Br)cc21)C(C)(C)C ZINC001139660487 1046494998 /nfs/dbraw/zinc/49/49/98/1046494998.db2.gz PSEDSLKLRJWGLM-UHFFFAOYSA-N 1 1 322.250 4.112 20 30 DIEDMO C=CC[N@H+](Cc1n[nH]c2ccc(Br)cc21)C(C)(C)C ZINC001139660487 1046495001 /nfs/dbraw/zinc/49/50/01/1046495001.db2.gz PSEDSLKLRJWGLM-UHFFFAOYSA-N 1 1 322.250 4.112 20 30 DIEDMO C=CC[N@@H+](Cc1n[nH]c2ccc(Br)cc21)C(C)(C)C ZINC001139660487 1046495003 /nfs/dbraw/zinc/49/50/03/1046495003.db2.gz PSEDSLKLRJWGLM-UHFFFAOYSA-N 1 1 322.250 4.112 20 30 DIEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cccc(Cl)c1C#N ZINC001139693720 1046501011 /nfs/dbraw/zinc/50/10/11/1046501011.db2.gz PRHSKODQWGHISM-QHHAFSJGSA-N 1 1 311.816 4.142 20 30 DIEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701205 1046501217 /nfs/dbraw/zinc/50/12/17/1046501217.db2.gz CNSGHJVCTXIOEL-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@@H](c4ccccc4)C3)c[nH]c21 ZINC001139704932 1046501394 /nfs/dbraw/zinc/50/13/94/1046501394.db2.gz HPPZJOVZDIKHGZ-GOSISDBHSA-N 1 1 315.420 4.419 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1Cl ZINC001139704977 1046501671 /nfs/dbraw/zinc/50/16/71/1046501671.db2.gz HVLRKCBNKLNZES-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)c[nH]c21 ZINC001139706155 1046501762 /nfs/dbraw/zinc/50/17/62/1046501762.db2.gz MKWZOFPOQBRKQZ-MRXNPFEDSA-N 1 1 319.383 4.168 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CCc4cc(Cl)ccc4C3)c[nH]c21 ZINC001139706095 1046501835 /nfs/dbraw/zinc/50/18/35/1046501835.db2.gz LFBBICDELZYASV-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCc4cc(Cl)ccc4C3)c[nH]c21 ZINC001139706095 1046501840 /nfs/dbraw/zinc/50/18/40/1046501840.db2.gz LFBBICDELZYASV-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO CCC[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1 ZINC001139702700 1046502465 /nfs/dbraw/zinc/50/24/65/1046502465.db2.gz FKEGZXLLROEOTG-UHFFFAOYSA-N 1 1 303.409 4.452 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C)c(C#N)c2)c1 ZINC001139725823 1046505856 /nfs/dbraw/zinc/50/58/56/1046505856.db2.gz DOGSRPZYRAFPPK-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)Cc1ccc(OC)cc1 ZINC001139723234 1046506152 /nfs/dbraw/zinc/50/61/52/1046506152.db2.gz XHQDLOUKTDPVJV-QGZVFWFLSA-N 1 1 322.452 4.328 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726378 1046507639 /nfs/dbraw/zinc/50/76/39/1046507639.db2.gz LEAKNKZFNUKHOC-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO Cc1ccc2ncc(C[N@H+](CCC#N)C3CCCCCCC3)n2c1 ZINC001137308795 1046514851 /nfs/dbraw/zinc/51/48/51/1046514851.db2.gz FYOCJUIWDFGESG-UHFFFAOYSA-N 1 1 324.472 4.471 20 30 DIEDMO Cc1ccc2ncc(C[N@@H+](CCC#N)C3CCCCCCC3)n2c1 ZINC001137308795 1046514855 /nfs/dbraw/zinc/51/48/55/1046514855.db2.gz FYOCJUIWDFGESG-UHFFFAOYSA-N 1 1 324.472 4.471 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)cn1 ZINC001139771364 1046517377 /nfs/dbraw/zinc/51/73/77/1046517377.db2.gz XVOHWFANIHRTOO-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)cn1 ZINC001139771364 1046517382 /nfs/dbraw/zinc/51/73/82/1046517382.db2.gz XVOHWFANIHRTOO-KRWDZBQOSA-N 1 1 301.821 4.060 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000782494983 1046529879 /nfs/dbraw/zinc/52/98/79/1046529879.db2.gz FNAJSJYIQXJIOG-QGZVFWFLSA-N 1 1 314.772 4.102 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878454 1046539676 /nfs/dbraw/zinc/53/96/76/1046539676.db2.gz MBIXKVUPLLLOIA-GOSISDBHSA-N 1 1 324.399 4.086 20 30 DIEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001139879243 1046540836 /nfs/dbraw/zinc/54/08/36/1046540836.db2.gz HRVYPIAQFVBVDI-LJQANCHMSA-N 1 1 312.363 4.044 20 30 DIEDMO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2Cl)cc1Cl ZINC000782908844 1046546658 /nfs/dbraw/zinc/54/66/58/1046546658.db2.gz WSNPMKSQLSZBRT-UHFFFAOYSA-N 1 1 324.211 4.420 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c3ccccc13)CC2 ZINC001139889497 1046547074 /nfs/dbraw/zinc/54/70/74/1046547074.db2.gz GGGBRRRCDVCZEO-UHFFFAOYSA-N 1 1 316.379 4.409 20 30 DIEDMO CC(=[NH+]NCc1cccc(Cl)c1)c1ccc(N)cc1Cl ZINC000782905829 1046547160 /nfs/dbraw/zinc/54/71/60/1046547160.db2.gz DPPSBJJINRKDGT-UHFFFAOYSA-N 1 1 308.212 4.089 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139937141 1046555918 /nfs/dbraw/zinc/55/59/18/1046555918.db2.gz JKBCBYQCGJUMFJ-UHFFFAOYSA-N 1 1 308.857 4.355 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000642095248 1046561971 /nfs/dbraw/zinc/56/19/71/1046561971.db2.gz MXKYZLSPOPYAEU-CQSZACIVSA-N 1 1 320.502 4.270 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(Cl)cc(Cl)c1 ZINC000783300057 1046574863 /nfs/dbraw/zinc/57/48/63/1046574863.db2.gz HRTYGLDHOVHWKL-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C=CCCCC[N@@H+](C)Cc1cnc(Br)cc1Cl ZINC001140079765 1046584187 /nfs/dbraw/zinc/58/41/87/1046584187.db2.gz GODVFEPPGBKXOP-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cnc(Br)cc1Cl ZINC001140079765 1046584203 /nfs/dbraw/zinc/58/42/03/1046584203.db2.gz GODVFEPPGBKXOP-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4cc(Cl)ccc4C3)c2c1 ZINC001140114903 1046590499 /nfs/dbraw/zinc/59/04/99/1046590499.db2.gz FRKJDFYMSLDSCL-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4cc(Cl)ccc4C3)c2c1 ZINC001140114903 1046590509 /nfs/dbraw/zinc/59/05/09/1046590509.db2.gz FRKJDFYMSLDSCL-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]3c3ccccc3)c2c1 ZINC001140113649 1046591528 /nfs/dbraw/zinc/59/15/28/1046591528.db2.gz BGWNVTPOAJOVHD-HXUWFJFHSA-N 1 1 301.393 4.377 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]3c3cccs3)c2c1 ZINC001140113866 1046591905 /nfs/dbraw/zinc/59/19/05/1046591905.db2.gz FQYLKHRWHGWORE-QGZVFWFLSA-N 1 1 307.422 4.438 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCSc4ccccc4C3)c2c1 ZINC001140117611 1046594632 /nfs/dbraw/zinc/59/46/32/1046594632.db2.gz VWKOFRKQSXHOAJ-UHFFFAOYSA-N 1 1 319.433 4.147 20 30 DIEDMO Cc1ccccc1OC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140134884 1046598865 /nfs/dbraw/zinc/59/88/65/1046598865.db2.gz DXHVNVRJFFLUED-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO C=CC[N@H+](C)Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001140215907 1046617647 /nfs/dbraw/zinc/61/76/47/1046617647.db2.gz OGYNZUUKXSOQRU-UHFFFAOYSA-N 1 1 312.360 4.447 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783659456 1046618400 /nfs/dbraw/zinc/61/84/00/1046618400.db2.gz HEOXXPWUQHDHFL-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000245713791 1046631021 /nfs/dbraw/zinc/63/10/21/1046631021.db2.gz GLOBNBQIMXCDDF-UZLBHIALSA-N 1 1 321.424 4.018 20 30 DIEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000532958737 1046634142 /nfs/dbraw/zinc/63/41/42/1046634142.db2.gz YIWBNVSOSXMMSN-QGZVFWFLSA-N 1 1 320.436 4.333 20 30 DIEDMO CCOc1ccc2[nH]cc(C[N@@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140274612 1046635207 /nfs/dbraw/zinc/63/52/07/1046635207.db2.gz PJBYCPNGSDSRIT-UHFFFAOYSA-N 1 1 319.408 4.070 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC1CC1)C(C)C ZINC000533035682 1046642186 /nfs/dbraw/zinc/64/21/86/1046642186.db2.gz OFGGGYVDCFLNNB-UHFFFAOYSA-N 1 1 318.486 4.024 20 30 DIEDMO C=C(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533056000 1046647068 /nfs/dbraw/zinc/64/70/68/1046647068.db2.gz FFZRRDITIGYGLD-INIZCTEOSA-N 1 1 301.821 4.443 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(O)c(C(C)(C)C)c1 ZINC000784015906 1046650304 /nfs/dbraw/zinc/65/03/04/1046650304.db2.gz YQWITXIIPOZPHQ-LJQANCHMSA-N 1 1 300.446 4.124 20 30 DIEDMO C=CC[N@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)(C)C ZINC001140366663 1046674236 /nfs/dbraw/zinc/67/42/36/1046674236.db2.gz MMXPNJVHVCDSSQ-UHFFFAOYSA-N 1 1 313.898 4.183 20 30 DIEDMO C=CC[N@@H+](Cc1sc(N2CCCC2)nc1Cl)C(C)(C)C ZINC001140366663 1046674241 /nfs/dbraw/zinc/67/42/41/1046674241.db2.gz MMXPNJVHVCDSSQ-UHFFFAOYSA-N 1 1 313.898 4.183 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CC#Cc2cccc(Cl)c2)s1 ZINC000533325555 1046695859 /nfs/dbraw/zinc/69/58/59/1046695859.db2.gz NUGGRYWXHSXRPT-ZDUSSCGKSA-N 1 1 318.873 4.458 20 30 DIEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CC#Cc2cccc(Cl)c2)s1 ZINC000533325555 1046695862 /nfs/dbraw/zinc/69/58/62/1046695862.db2.gz NUGGRYWXHSXRPT-ZDUSSCGKSA-N 1 1 318.873 4.458 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(F)c3)s2)C1 ZINC001140419999 1046709049 /nfs/dbraw/zinc/70/90/49/1046709049.db2.gz PZZPOOMBCYJDBT-ZDUSSCGKSA-N 1 1 315.417 4.075 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796758321 1046727650 /nfs/dbraw/zinc/72/76/50/1046727650.db2.gz FVELHARWPBIFRM-QGZVFWFLSA-N 1 1 315.388 4.337 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000533461482 1046731762 /nfs/dbraw/zinc/73/17/62/1046731762.db2.gz VWQPLQIOVGVBMV-INIZCTEOSA-N 1 1 306.384 4.132 20 30 DIEDMO Cn1cnc2cc(C[N@@H+](CCC#N)C3CCCCCCC3)ccc21 ZINC001140507776 1046758709 /nfs/dbraw/zinc/75/87/09/1046758709.db2.gz QLUYJMCAOYFYIR-UHFFFAOYSA-N 1 1 324.472 4.402 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000533598047 1046761537 /nfs/dbraw/zinc/76/15/37/1046761537.db2.gz SKYFBQUDKIUBFN-QGZVFWFLSA-N 1 1 320.436 4.390 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000533598047 1046761548 /nfs/dbraw/zinc/76/15/48/1046761548.db2.gz SKYFBQUDKIUBFN-QGZVFWFLSA-N 1 1 320.436 4.390 20 30 DIEDMO C=CC[N@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC001140527895 1046765313 /nfs/dbraw/zinc/76/53/13/1046765313.db2.gz DVNZLNOSHVUWJM-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO C=CC[N@@H+](Cc1ccnn1-c1ccccc1)Cc1ccccc1 ZINC001140527895 1046765326 /nfs/dbraw/zinc/76/53/26/1046765326.db2.gz DVNZLNOSHVUWJM-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001140601006 1046805339 /nfs/dbraw/zinc/80/53/39/1046805339.db2.gz FCPAYUNOMKGSLV-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CC[C@@H]([NH2+]Cc1cscc1Br)c1ccncc1 ZINC000796307422 1046874011 /nfs/dbraw/zinc/87/40/11/1046874011.db2.gz KHWWMGZDURQOMP-CQSZACIVSA-N 1 1 323.259 4.313 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nc(Cl)c1 ZINC000797590127 1046860276 /nfs/dbraw/zinc/86/02/76/1046860276.db2.gz YZFGPHMWLXDYGS-UHFFFAOYSA-N 1 1 313.832 4.327 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000076736109 1046866118 /nfs/dbraw/zinc/86/61/18/1046866118.db2.gz VGFXSCCDXPZSIQ-INIZCTEOSA-N 1 1 302.462 4.343 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000303171387 1046885266 /nfs/dbraw/zinc/88/52/66/1046885266.db2.gz JGQOPOQQEVGSNB-GOSISDBHSA-N 1 1 308.400 4.467 20 30 DIEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754877 1046886747 /nfs/dbraw/zinc/88/67/47/1046886747.db2.gz MMSFGPRXQRSAAL-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754877 1046886761 /nfs/dbraw/zinc/88/67/61/1046886761.db2.gz MMSFGPRXQRSAAL-LBPRGKRZSA-N 1 1 316.351 4.038 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757336 1046886929 /nfs/dbraw/zinc/88/69/29/1046886929.db2.gz YZMDRRSPPNWBAI-IBGZPJMESA-N 1 1 312.363 4.346 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757336 1046886948 /nfs/dbraw/zinc/88/69/48/1046886948.db2.gz YZMDRRSPPNWBAI-IBGZPJMESA-N 1 1 312.363 4.346 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756440 1046887988 /nfs/dbraw/zinc/88/79/88/1046887988.db2.gz MOAHDZISSVWUHG-UHFFFAOYSA-N 1 1 300.352 4.167 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755061 1046889581 /nfs/dbraw/zinc/88/95/81/1046889581.db2.gz RWAWABJNTJHECN-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1Cl ZINC001140809923 1046910038 /nfs/dbraw/zinc/91/00/38/1046910038.db2.gz NFZZIAQLCHCTRW-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1cccc(C#N)c1Cl ZINC001140813066 1046914003 /nfs/dbraw/zinc/91/40/03/1046914003.db2.gz VNZLXVHYWIXUBQ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cccc(C#N)c1Cl ZINC001140813066 1046914014 /nfs/dbraw/zinc/91/40/14/1046914014.db2.gz VNZLXVHYWIXUBQ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CCN(CC=C(C)C)C2=O)CC1 ZINC001276346317 1046915956 /nfs/dbraw/zinc/91/59/56/1046915956.db2.gz RIFMMNMTTNMUPL-FQEVSTJZSA-N 1 1 318.505 4.014 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001140882985 1046941926 /nfs/dbraw/zinc/94/19/26/1046941926.db2.gz UQPFKYJQPGDJKL-SNVBAGLBSA-N 1 1 318.289 4.109 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)c(C(F)(F)F)c(F)c2)CC1 ZINC001140882985 1046941935 /nfs/dbraw/zinc/94/19/35/1046941935.db2.gz UQPFKYJQPGDJKL-SNVBAGLBSA-N 1 1 318.289 4.109 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC001140941334 1046955064 /nfs/dbraw/zinc/95/50/64/1046955064.db2.gz GNADIZVGUMGWSF-OAHLLOKOSA-N 1 1 313.832 4.256 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(OC)CCCCCC1 ZINC001204373953 1046956260 /nfs/dbraw/zinc/95/62/60/1046956260.db2.gz DMAZZZBPSSURAH-UHFFFAOYSA-N 1 1 317.473 4.423 20 30 DIEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140963720 1046964170 /nfs/dbraw/zinc/96/41/70/1046964170.db2.gz FLBPFNGAYXETAS-ZDUSSCGKSA-N 1 1 312.335 4.019 20 30 DIEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140963634 1046965253 /nfs/dbraw/zinc/96/52/53/1046965253.db2.gz BBLWXHZDVOKLEO-ZDUSSCGKSA-N 1 1 312.335 4.019 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990908 1046971756 /nfs/dbraw/zinc/97/17/56/1046971756.db2.gz CMTJFGUXBGGYMC-UHFFFAOYSA-N 1 1 303.352 4.249 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990908 1046971770 /nfs/dbraw/zinc/97/17/70/1046971770.db2.gz CMTJFGUXBGGYMC-UHFFFAOYSA-N 1 1 303.352 4.249 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)c(F)c1 ZINC001140990908 1046971777 /nfs/dbraw/zinc/97/17/77/1046971777.db2.gz CMTJFGUXBGGYMC-UHFFFAOYSA-N 1 1 303.352 4.249 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC001168274339 1046975024 /nfs/dbraw/zinc/97/50/24/1046975024.db2.gz CGTWTJLVLJZGIK-QWRGUYRKSA-N 1 1 304.381 4.306 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000303809322 1046979974 /nfs/dbraw/zinc/97/99/74/1046979974.db2.gz YOXMEDPHJQNQFN-DOTOQJQBSA-N 1 1 308.400 4.384 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2cccc(O)c2n1 ZINC001141022598 1046981597 /nfs/dbraw/zinc/98/15/97/1046981597.db2.gz XRNBUUGUTZGWQB-UHFFFAOYSA-N 1 1 304.393 4.129 20 30 DIEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344333 1046986071 /nfs/dbraw/zinc/98/60/71/1046986071.db2.gz OILLHXUZFOPRBK-SXLOBPIMSA-N 1 1 300.490 4.056 20 30 DIEDMO CCCCc1ncc(C[NH+]2CCC(C#Cc3ccccc3)CC2)[nH]1 ZINC001141073570 1046998666 /nfs/dbraw/zinc/99/86/66/1046998666.db2.gz HVRNDAKVGLPQRN-UHFFFAOYSA-N 1 1 321.468 4.016 20 30 DIEDMO CCCCc1nc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c[nH]1 ZINC001141073570 1046998678 /nfs/dbraw/zinc/99/86/78/1046998678.db2.gz HVRNDAKVGLPQRN-UHFFFAOYSA-N 1 1 321.468 4.016 20 30 DIEDMO CC[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc(F)cc1 ZINC001141114440 1047018395 /nfs/dbraw/zinc/01/83/95/1047018395.db2.gz OTTLYZFPEUMHGR-UHFFFAOYSA-N 1 1 323.824 4.017 20 30 DIEDMO CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccc(F)cc1 ZINC001141114440 1047018409 /nfs/dbraw/zinc/01/84/09/1047018409.db2.gz OTTLYZFPEUMHGR-UHFFFAOYSA-N 1 1 323.824 4.017 20 30 DIEDMO CC(C)[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141110100 1047019129 /nfs/dbraw/zinc/01/91/29/1047019129.db2.gz YKLNMOMUNVGSSA-UHFFFAOYSA-N 1 1 319.861 4.266 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118429 1047019661 /nfs/dbraw/zinc/01/96/61/1047019661.db2.gz XZVLMFZMIFUDAQ-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)CC1 ZINC001141118430 1047019834 /nfs/dbraw/zinc/01/98/34/1047019834.db2.gz XZVLMFZMIFUDAQ-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1 ZINC001203098759 1047029765 /nfs/dbraw/zinc/02/97/65/1047029765.db2.gz CLWQKIKTMLEJQT-INIZCTEOSA-N 1 1 316.408 4.045 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(F)cc1C#N ZINC001141166361 1047034499 /nfs/dbraw/zinc/03/44/99/1047034499.db2.gz IINCOLLECBEQOY-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2ccc(F)cc2)n1 ZINC001141208611 1047047070 /nfs/dbraw/zinc/04/70/70/1047047070.db2.gz IOBSDTGJDISUAO-QIDUDWOJSA-N 1 1 321.399 4.154 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)[C@@H]1c1cccc(F)c1 ZINC000536666294 1047056488 /nfs/dbraw/zinc/05/64/88/1047056488.db2.gz LPSFSKLJCYOQIS-PXAZEXFGSA-N 1 1 300.402 4.342 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(-n2ccnc2)c1 ZINC001141243891 1047060407 /nfs/dbraw/zinc/06/04/07/1047060407.db2.gz BLSDQRMMNIRBPG-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000536680460 1047070645 /nfs/dbraw/zinc/07/06/45/1047070645.db2.gz RMYLFGAUJCKZFC-LBPRGKRZSA-N 1 1 304.846 4.336 20 30 DIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C#CC(C)(C)C)c1 ZINC000837350375 1047074046 /nfs/dbraw/zinc/07/40/46/1047074046.db2.gz YLFOPNIGGJZNGK-UHFFFAOYSA-N 1 1 323.440 4.043 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1F ZINC001141283796 1047075486 /nfs/dbraw/zinc/07/54/86/1047075486.db2.gz YSPPFSOSITYDMT-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1F ZINC001141283796 1047075500 /nfs/dbraw/zinc/07/55/00/1047075500.db2.gz YSPPFSOSITYDMT-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]4C[C@H]43)cc2)cc1 ZINC001141295408 1047078861 /nfs/dbraw/zinc/07/88/61/1047078861.db2.gz CEPRFKSEROXJKK-FXAWDEMLSA-N 1 1 304.393 4.335 20 30 DIEDMO C=CCCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000649254668 1047120092 /nfs/dbraw/zinc/12/00/92/1047120092.db2.gz HVQVMKOJISJQQT-PHIMTYICSA-N 1 1 303.290 4.405 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2nc(Cl)ccc2C#N)cc1 ZINC001212969269 1047120351 /nfs/dbraw/zinc/12/03/51/1047120351.db2.gz WSCYPLRPBDDLPA-UHFFFAOYSA-N 1 1 300.793 4.196 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000536985307 1047126649 /nfs/dbraw/zinc/12/66/49/1047126649.db2.gz VHLPCIIZNRUAEK-JKIFEVAISA-N 1 1 317.864 4.053 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001116439332 1047139991 /nfs/dbraw/zinc/13/99/91/1047139991.db2.gz VCYXHQJAYDEIHK-MOPGFXCFSA-N 1 1 312.457 4.381 20 30 DIEDMO Cc1cc([C@@H]([NH2+]Cc2ccc(F)cc2C#N)C2CC2)ccc1F ZINC000537218854 1047150436 /nfs/dbraw/zinc/15/04/36/1047150436.db2.gz HBKIIUMSSVLAIP-IBGZPJMESA-N 1 1 312.363 4.386 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(F)cc3C)o2)C1 ZINC001116554685 1047156069 /nfs/dbraw/zinc/15/60/69/1047156069.db2.gz AZXWAJUIWZIHDL-MRXNPFEDSA-N 1 1 315.388 4.171 20 30 DIEDMO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC001116734987 1047171384 /nfs/dbraw/zinc/17/13/84/1047171384.db2.gz HGGQHBYRMCCMBH-OAHLLOKOSA-N 1 1 306.409 4.076 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000537384453 1047176340 /nfs/dbraw/zinc/17/63/40/1047176340.db2.gz GHMCESKNEHGYTC-CQSZACIVSA-N 1 1 313.470 4.416 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+]2CCCC[C@@H]2CCC(C)C)c1=S ZINC000760406435 1047228796 /nfs/dbraw/zinc/22/87/96/1047228796.db2.gz FAYBWOFLELAKMS-MRXNPFEDSA-N 1 1 322.522 4.157 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC[C@@H]2CCC(C)C)c1=S ZINC000760406435 1047228808 /nfs/dbraw/zinc/22/88/08/1047228808.db2.gz FAYBWOFLELAKMS-MRXNPFEDSA-N 1 1 322.522 4.157 20 30 DIEDMO CCC[N@@H+](Cc1cc(C#N)ccc1Br)[C@@H](C)CC ZINC001141654568 1047248227 /nfs/dbraw/zinc/24/82/27/1047248227.db2.gz CPJNHPNDHRFVDF-LBPRGKRZSA-N 1 1 309.251 4.331 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000683007155 1047253631 /nfs/dbraw/zinc/25/36/31/1047253631.db2.gz YLSIKFKSQGRRFU-VXKWHMMOSA-N 1 1 319.448 4.138 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000683007156 1047256500 /nfs/dbraw/zinc/25/65/00/1047256500.db2.gz YLSIKFKSQGRRFU-YADHBBJMSA-N 1 1 319.448 4.138 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001118098854 1047264578 /nfs/dbraw/zinc/26/45/78/1047264578.db2.gz BKXSKIJIBQPFHO-KRWDZBQOSA-N 1 1 319.452 4.351 20 30 DIEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796435110 1047270353 /nfs/dbraw/zinc/27/03/53/1047270353.db2.gz PUDKGOPQLIVTLF-CZAAIQMYSA-N 1 1 320.436 4.065 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C1 ZINC000651730410 1047324931 /nfs/dbraw/zinc/32/49/31/1047324931.db2.gz KSUSSNMAKYYICO-UXLLHSPISA-N 1 1 311.429 4.056 20 30 DIEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000726232652 1047341904 /nfs/dbraw/zinc/34/19/04/1047341904.db2.gz VPVAWMJRCSAMIO-INIZCTEOSA-N 1 1 323.864 4.243 20 30 DIEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCC(C)(C)C1 ZINC000796534128 1047379675 /nfs/dbraw/zinc/37/96/75/1047379675.db2.gz WOTQACLSUUUICP-OAHLLOKOSA-N 1 1 306.837 4.253 20 30 DIEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000494589057 1047398072 /nfs/dbraw/zinc/39/80/72/1047398072.db2.gz ZMGRFBLPLCLUNX-UHFFFAOYSA-N 1 1 321.243 4.181 20 30 DIEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)nn1 ZINC000653579293 1047403734 /nfs/dbraw/zinc/40/37/34/1047403734.db2.gz YAAFHINDGGPYBY-UHFFFAOYSA-N 1 1 312.461 4.003 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)c1 ZINC000537615721 1047455121 /nfs/dbraw/zinc/45/51/21/1047455121.db2.gz BZKSDZJAHAMYDD-GOSISDBHSA-N 1 1 323.436 4.250 20 30 DIEDMO Cn1cc2c(cccc2C[N@@H+](CCC#N)C2CCCCCCC2)n1 ZINC001142456490 1047456879 /nfs/dbraw/zinc/45/68/79/1047456879.db2.gz MNKURBQNBXTBOP-UHFFFAOYSA-N 1 1 324.472 4.402 20 30 DIEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCc2ccccc21 ZINC001168331636 1047469911 /nfs/dbraw/zinc/46/99/11/1047469911.db2.gz MOTIFZQTOVMZRG-QFIPXVFZSA-N 1 1 321.464 4.289 20 30 DIEDMO CC1(C)C[C@H](Nc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000612691795 1047478306 /nfs/dbraw/zinc/47/83/06/1047478306.db2.gz GFEQQIKQTKCXOB-FQEVSTJZSA-N 1 1 319.452 4.218 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cc1 ZINC001142922783 1047514415 /nfs/dbraw/zinc/51/44/15/1047514415.db2.gz VYHOTRFMMMRNCX-UHFFFAOYSA-N 1 1 303.409 4.234 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922799 1047514626 /nfs/dbraw/zinc/51/46/26/1047514626.db2.gz WIYBESYVCTXUHJ-CQSZACIVSA-N 1 1 319.408 4.241 20 30 DIEDMO CCC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1 ZINC001142928628 1047516888 /nfs/dbraw/zinc/51/68/88/1047516888.db2.gz FNUVQAAIQQRMHM-UHFFFAOYSA-N 1 1 303.409 4.452 20 30 DIEDMO CC[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000091919247 1047524642 /nfs/dbraw/zinc/52/46/42/1047524642.db2.gz QTHLSSOQCHHQPG-KRWDZBQOSA-N 1 1 322.456 4.086 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1F ZINC001143170439 1047537463 /nfs/dbraw/zinc/53/74/63/1047537463.db2.gz GGJKHNMQCJDWKU-INIZCTEOSA-N 1 1 312.363 4.216 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1F ZINC001143170443 1047537532 /nfs/dbraw/zinc/53/75/32/1047537532.db2.gz GGJKHNMQCJDWKU-MRXNPFEDSA-N 1 1 312.363 4.216 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C2CCCCC2)c1F ZINC001143173608 1047537660 /nfs/dbraw/zinc/53/76/60/1047537660.db2.gz AAWURTQCTOAMLJ-KRWDZBQOSA-N 1 1 304.384 4.381 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788461 1047538884 /nfs/dbraw/zinc/53/88/84/1047538884.db2.gz AKDYZMIPXAXMHT-INIZCTEOSA-N 1 1 314.454 4.088 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788691 1047539044 /nfs/dbraw/zinc/53/90/44/1047539044.db2.gz JRKSNYKCZKWIOF-MRXNPFEDSA-N 1 1 314.454 4.088 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000093101155 1047542349 /nfs/dbraw/zinc/54/23/49/1047542349.db2.gz JHHYTDGBSZUEEH-UHFFFAOYSA-N 1 1 313.445 4.131 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000093101155 1047542354 /nfs/dbraw/zinc/54/23/54/1047542354.db2.gz JHHYTDGBSZUEEH-UHFFFAOYSA-N 1 1 313.445 4.131 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)cc1 ZINC000093845392 1047552929 /nfs/dbraw/zinc/55/29/29/1047552929.db2.gz UMFWOLPLTBNMQU-OXJNMPFZSA-N 1 1 323.440 4.043 20 30 DIEDMO CC[N@H+](Cc1ccn(C2CCCC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000477143181 1047597998 /nfs/dbraw/zinc/59/79/98/1047597998.db2.gz XVTRAGVFCRIJLA-MRXNPFEDSA-N 1 1 322.456 4.453 20 30 DIEDMO CC[N@@H+](Cc1ccn(C2CCCC2)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000477143181 1047598005 /nfs/dbraw/zinc/59/80/05/1047598005.db2.gz XVTRAGVFCRIJLA-MRXNPFEDSA-N 1 1 322.456 4.453 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)o1 ZINC000537705663 1047621398 /nfs/dbraw/zinc/62/13/98/1047621398.db2.gz NBRCSNVXHQDMEW-UHFFFAOYSA-N 1 1 312.388 4.278 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001156347525 1047707934 /nfs/dbraw/zinc/70/79/34/1047707934.db2.gz MBQQLHWCTPYNJI-SFHVURJKSA-N 1 1 310.526 4.460 20 30 DIEDMO CC(C)([NH2+]Cc1cncc(Cl)c1Cl)c1cccc(C#N)c1 ZINC001206660895 1047718304 /nfs/dbraw/zinc/71/83/04/1047718304.db2.gz LPIZDCHROTVOKG-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO CCCC[C@H](CC)COCCCNc1ccc(CC#N)c(C)[nH+]1 ZINC001157340785 1047739213 /nfs/dbraw/zinc/73/92/13/1047739213.db2.gz HOMFOWPEQJBTKI-KRWDZBQOSA-N 1 1 317.477 4.491 20 30 DIEDMO N#Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c1F ZINC000539248884 1047742653 /nfs/dbraw/zinc/74/26/53/1047742653.db2.gz FQRXBVORXKKHGA-IBGZPJMESA-N 1 1 306.384 4.349 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683171 1047867817 /nfs/dbraw/zinc/86/78/17/1047867817.db2.gz UDPFOVULPZTCAS-INIZCTEOSA-N 1 1 318.420 4.437 20 30 DIEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001197701480 1047871109 /nfs/dbraw/zinc/87/11/09/1047871109.db2.gz JVICUFREXNYPJB-ZDUSSCGKSA-N 1 1 316.857 4.309 20 30 DIEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C)c(C)c1 ZINC001197844756 1047885574 /nfs/dbraw/zinc/88/55/74/1047885574.db2.gz MBFJBKIDIRHVOB-UHFFFAOYSA-N 1 1 302.462 4.082 20 30 DIEDMO C=CCC1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCCC1 ZINC001174593203 1047898411 /nfs/dbraw/zinc/89/84/11/1047898411.db2.gz KRQAZPVLFDWVIC-UHFFFAOYSA-N 1 1 307.821 4.227 20 30 DIEDMO C=CCCCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000479511337 1047918073 /nfs/dbraw/zinc/91/80/73/1047918073.db2.gz JHXNEGLLLNFWTM-INIZCTEOSA-N 1 1 300.446 4.356 20 30 DIEDMO C=CCCCC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000479518986 1047919757 /nfs/dbraw/zinc/91/97/57/1047919757.db2.gz UDLKTNWHLVLMGW-QGZVFWFLSA-N 1 1 314.473 4.034 20 30 DIEDMO C#CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C ZINC001198027670 1047921724 /nfs/dbraw/zinc/92/17/24/1047921724.db2.gz SBOVLPGVZGKVBG-UHFFFAOYSA-N 1 1 302.805 4.147 20 30 DIEDMO C#CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)C(C)C ZINC001198027670 1047921733 /nfs/dbraw/zinc/92/17/33/1047921733.db2.gz SBOVLPGVZGKVBG-UHFFFAOYSA-N 1 1 302.805 4.147 20 30 DIEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(F)cc1C#N ZINC001198281013 1047941840 /nfs/dbraw/zinc/94/18/40/1047941840.db2.gz ZXVGANRLPAUUGV-GOSISDBHSA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@@H+]1CCCC(C)(C)C#N ZINC001174705624 1047946928 /nfs/dbraw/zinc/94/69/28/1047946928.db2.gz YBYLTVOKVAGZQZ-WMLDXEAASA-N 1 1 320.864 4.432 20 30 DIEDMO C[C@H]1[C@H](c2cccc(Cl)c2)OCC[N@H+]1CCCC(C)(C)C#N ZINC001174705624 1047946936 /nfs/dbraw/zinc/94/69/36/1047946936.db2.gz YBYLTVOKVAGZQZ-WMLDXEAASA-N 1 1 320.864 4.432 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001198390104 1047950020 /nfs/dbraw/zinc/95/00/20/1047950020.db2.gz YAFVKUVARDZALO-DLBZAZTESA-N 1 1 324.509 4.431 20 30 DIEDMO CCCCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001198390104 1047950032 /nfs/dbraw/zinc/95/00/32/1047950032.db2.gz YAFVKUVARDZALO-DLBZAZTESA-N 1 1 324.509 4.431 20 30 DIEDMO CCCCCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001198390107 1047950439 /nfs/dbraw/zinc/95/04/39/1047950439.db2.gz YAFVKUVARDZALO-SJORKVTESA-N 1 1 324.509 4.431 20 30 DIEDMO CCCCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001198390107 1047950449 /nfs/dbraw/zinc/95/04/49/1047950449.db2.gz YAFVKUVARDZALO-SJORKVTESA-N 1 1 324.509 4.431 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC001198406275 1047953748 /nfs/dbraw/zinc/95/37/48/1047953748.db2.gz HVNNZORZGUEBEI-CQSZACIVSA-N 1 1 306.837 4.099 20 30 DIEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC001198457686 1047959129 /nfs/dbraw/zinc/95/91/29/1047959129.db2.gz HVUBTXKEPDMTSD-AWEZNQCLSA-N 1 1 308.853 4.264 20 30 DIEDMO C#C[C@H]1CCCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC001198525485 1047969406 /nfs/dbraw/zinc/96/94/06/1047969406.db2.gz MQEGKAVXARDOHP-KNYPUDEUSA-N 1 1 318.258 4.340 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1OC ZINC001174779244 1047973036 /nfs/dbraw/zinc/97/30/36/1047973036.db2.gz BTPVNFUEUIRENU-GASCZTMLSA-N 1 1 322.246 4.141 20 30 DIEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000553992992 1047978397 /nfs/dbraw/zinc/97/83/97/1047978397.db2.gz WKVHBTPYHXGQKJ-IRXDYDNUSA-N 1 1 306.494 4.234 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001160182493 1047990649 /nfs/dbraw/zinc/99/06/49/1047990649.db2.gz FAYPOGXANJRGLD-CYBMUJFWSA-N 1 1 318.380 4.172 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000774714126 1047996884 /nfs/dbraw/zinc/99/68/84/1047996884.db2.gz PWEFWEQMWQWBIW-GVDBMIGSSA-N 1 1 324.509 4.356 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=CC23CCCCC3)c(OC(F)F)c1 ZINC001198801848 1048010156 /nfs/dbraw/zinc/01/01/56/1048010156.db2.gz YJFBFIUSCBDUKZ-UHFFFAOYSA-N 1 1 318.367 4.234 20 30 DIEDMO C#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC001184228867 1048014419 /nfs/dbraw/zinc/01/44/19/1048014419.db2.gz MVPLZLRXDBATMT-IRLDBZIGSA-N 1 1 316.448 4.448 20 30 DIEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000773431366 1048039990 /nfs/dbraw/zinc/03/99/90/1048039990.db2.gz VMXLOWUCBYLLID-KRWDZBQOSA-N 1 1 301.455 4.250 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263498 1048050427 /nfs/dbraw/zinc/05/04/27/1048050427.db2.gz HIXHWVMYUNDNJI-BEFAXECRSA-N 1 1 310.828 4.170 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000554263498 1048050436 /nfs/dbraw/zinc/05/04/36/1048050436.db2.gz HIXHWVMYUNDNJI-BEFAXECRSA-N 1 1 310.828 4.170 20 30 DIEDMO CCCCCCCCCCN(C)C(=O)c1coc2c1C[NH2+]C2 ZINC001161228613 1048115641 /nfs/dbraw/zinc/11/56/41/1048115641.db2.gz YVQDJBPNYWYJOV-UHFFFAOYSA-N 1 1 306.450 4.096 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N[C@@H](C#N)c2ccccc2)nc1 ZINC001161718300 1048158866 /nfs/dbraw/zinc/15/88/66/1048158866.db2.gz UIKGCQHZFWNEHX-APWZRJJASA-N 1 1 320.440 4.133 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@H]1C#N ZINC001175249332 1048222371 /nfs/dbraw/zinc/22/23/71/1048222371.db2.gz GPOIWHZVHYYZMG-FPOVZHCZSA-N 1 1 315.420 4.349 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCC[C@H]1C#N ZINC001175249332 1048222379 /nfs/dbraw/zinc/22/23/79/1048222379.db2.gz GPOIWHZVHYYZMG-FPOVZHCZSA-N 1 1 315.420 4.349 20 30 DIEDMO C=C(Br)C[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000776155214 1048230889 /nfs/dbraw/zinc/23/08/89/1048230889.db2.gz DIZZQQGAZBVHIA-LLVKDONJSA-N 1 1 324.218 4.391 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cnc(C)s2)cc1 ZINC001162163380 1048233402 /nfs/dbraw/zinc/23/34/02/1048233402.db2.gz SPNOJQTZDZAPOM-SFHVURJKSA-N 1 1 313.470 4.387 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1C ZINC001175325221 1048264491 /nfs/dbraw/zinc/26/44/91/1048264491.db2.gz ZKYNWHCVVDUMBG-UHFFFAOYSA-N 1 1 308.425 4.288 20 30 DIEDMO CC[C@@H](Nc1[nH+]c(C)ccc1CC#N)c1ccc(F)c(F)c1 ZINC001162462482 1048283027 /nfs/dbraw/zinc/28/30/27/1048283027.db2.gz ABDZSIYJQSSUSE-MRXNPFEDSA-N 1 1 301.340 4.298 20 30 DIEDMO C#CC1(Nc2ccc([C@H]3CCCC[N@@H+]3CC)cn2)CCCCC1 ZINC001162479601 1048285694 /nfs/dbraw/zinc/28/56/94/1048285694.db2.gz JRMPMIHXQSFEEO-GOSISDBHSA-N 1 1 311.473 4.377 20 30 DIEDMO N#Cc1ccc(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001201474506 1048293248 /nfs/dbraw/zinc/29/32/48/1048293248.db2.gz IBVHERVBVDNZQX-SJORKVTESA-N 1 1 321.449 4.352 20 30 DIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC001201474506 1048293257 /nfs/dbraw/zinc/29/32/57/1048293257.db2.gz IBVHERVBVDNZQX-SJORKVTESA-N 1 1 321.449 4.352 20 30 DIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC001201474506 1048293271 /nfs/dbraw/zinc/29/32/71/1048293271.db2.gz IBVHERVBVDNZQX-SJORKVTESA-N 1 1 321.449 4.352 20 30 DIEDMO CC(C)C(N)=[NH+]O[C@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000128506716 1048305171 /nfs/dbraw/zinc/30/51/71/1048305171.db2.gz OWMAKRMTDGUKRU-SNVBAGLBSA-N 1 1 307.781 4.001 20 30 DIEDMO CCc1cnccc1C(=O)/C=C/c1[nH+]c(C(C)C)n2ccccc12 ZINC000776193327 1048310520 /nfs/dbraw/zinc/31/05/20/1048310520.db2.gz XEXZERHGDQMCLU-CMDGGOBGSA-N 1 1 319.408 4.311 20 30 DIEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001175484443 1048322117 /nfs/dbraw/zinc/32/21/17/1048322117.db2.gz ITTVCRGATSHIBQ-MRXNPFEDSA-N 1 1 313.338 4.265 20 30 DIEDMO CCCCCCCCCCC[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001201631276 1048328609 /nfs/dbraw/zinc/32/86/09/1048328609.db2.gz NVNMMFAMZFEEOD-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO CCC[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001201648124 1048345181 /nfs/dbraw/zinc/34/51/81/1048345181.db2.gz RTSXIJXVJHHWMJ-HXUWFJFHSA-N 1 1 304.437 4.228 20 30 DIEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC000481265381 1048346761 /nfs/dbraw/zinc/34/67/61/1048346761.db2.gz AWYJAEBMZVHMNL-FZMZJTMJSA-N 1 1 307.235 4.084 20 30 DIEDMO N#Cc1c(Cl)cccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506815 1048347146 /nfs/dbraw/zinc/34/71/46/1048347146.db2.gz OAYPCGJHUHJOKG-UHFFFAOYSA-N 1 1 323.827 4.413 20 30 DIEDMO COc1cc(Nc2ccc(C(F)(F)F)cc2C#N)[nH+]cc1C ZINC001201691026 1048358783 /nfs/dbraw/zinc/35/87/83/1048358783.db2.gz OMBJWCOREQUBQN-UHFFFAOYSA-N 1 1 307.275 4.033 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCS1 ZINC000600121497 1048368577 /nfs/dbraw/zinc/36/85/77/1048368577.db2.gz VFHXGRXUCQYJLS-FGTMMUONSA-N 1 1 300.471 4.044 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001201762352 1048371421 /nfs/dbraw/zinc/37/14/21/1048371421.db2.gz HHPBEGBQHLUSLS-GOSISDBHSA-N 1 1 320.502 4.147 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001201797933 1048374343 /nfs/dbraw/zinc/37/43/43/1048374343.db2.gz HRIFEHXONXPHET-KRWDZBQOSA-N 1 1 315.461 4.079 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001201804707 1048374894 /nfs/dbraw/zinc/37/48/94/1048374894.db2.gz RDCAROUZNZWCOL-KBPBESRZSA-N 1 1 313.379 4.074 20 30 DIEDMO CCCCCCC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001201798198 1048374915 /nfs/dbraw/zinc/37/49/15/1048374915.db2.gz QVEYRCZKICZXCR-UHFFFAOYSA-N 1 1 308.510 4.071 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccc(C)nc2)cc1 ZINC001162876041 1048375509 /nfs/dbraw/zinc/37/55/09/1048375509.db2.gz HPLUOYPPACKKMP-FQEVSTJZSA-N 1 1 307.441 4.325 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001201776491 1048376685 /nfs/dbraw/zinc/37/66/85/1048376685.db2.gz DQGYZDKZFUNNRK-DLBZAZTESA-N 1 1 321.534 4.010 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+](CCCCCCCC)CCC2 ZINC001201814436 1048376835 /nfs/dbraw/zinc/37/68/35/1048376835.db2.gz PEASXGRTUNFZMH-UHFFFAOYSA-N 1 1 319.493 4.152 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001201813146 1048378346 /nfs/dbraw/zinc/37/83/46/1048378346.db2.gz BETKIHDJKBASRS-RBUKOAKNSA-N 1 1 311.510 4.255 20 30 DIEDMO C=C(C)CC[N@H+]1CC[C@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001175632213 1048382166 /nfs/dbraw/zinc/38/21/66/1048382166.db2.gz YZZMOMPLIKCYJO-LJQANCHMSA-N 1 1 324.509 4.216 20 30 DIEDMO CSc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600213398 1048388813 /nfs/dbraw/zinc/38/88/13/1048388813.db2.gz VKQNDZDSSLRKLP-UHFFFAOYSA-N 1 1 314.479 4.094 20 30 DIEDMO CSc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600213398 1048388827 /nfs/dbraw/zinc/38/88/27/1048388827.db2.gz VKQNDZDSSLRKLP-UHFFFAOYSA-N 1 1 314.479 4.094 20 30 DIEDMO CCCCCCCCC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC001201847672 1048389828 /nfs/dbraw/zinc/38/98/28/1048389828.db2.gz YMISLVHZOHJCEX-UHFFFAOYSA-N 1 1 320.477 4.178 20 30 DIEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC001187361510 1048392684 /nfs/dbraw/zinc/39/26/84/1048392684.db2.gz LYTPATVBAYMPCN-MRXNPFEDSA-N 1 1 315.436 4.215 20 30 DIEDMO N#CC(c1ccccc1)(c1ccccc1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001201951353 1048408018 /nfs/dbraw/zinc/40/80/18/1048408018.db2.gz GJNKWRLZRFIMCK-OAQYLSRUSA-N 1 1 316.448 4.228 20 30 DIEDMO C=C(Br)C[N@@H+]1CCCSC[C@@H]1c1ccccc1 ZINC001175770285 1048445984 /nfs/dbraw/zinc/44/59/84/1048445984.db2.gz YPCKDEZLSSVUNW-CQSZACIVSA-N 1 1 312.276 4.075 20 30 DIEDMO C=C(Br)C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC001175770285 1048445990 /nfs/dbraw/zinc/44/59/90/1048445990.db2.gz YPCKDEZLSSVUNW-CQSZACIVSA-N 1 1 312.276 4.075 20 30 DIEDMO C=C(C)CC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001175789999 1048453903 /nfs/dbraw/zinc/45/39/03/1048453903.db2.gz GPJMEGUHKIBDSI-UHFFFAOYSA-N 1 1 310.482 4.112 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC001175935176 1048504161 /nfs/dbraw/zinc/50/41/61/1048504161.db2.gz IGDMQGIZCILQFD-MRXNPFEDSA-N 1 1 310.363 4.262 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC001176035781 1048538989 /nfs/dbraw/zinc/53/89/89/1048538989.db2.gz CJAARSAHEJHCSG-UZLBHIALSA-N 1 1 306.409 4.020 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccccc2N)cc1 ZINC001163890673 1048546165 /nfs/dbraw/zinc/54/61/65/1048546165.db2.gz HYXBRSJNKAADQA-HXUWFJFHSA-N 1 1 307.441 4.204 20 30 DIEDMO N#CC1(c2ccccc2F)CC[NH+](CCCC(F)(F)F)CC1 ZINC001202445339 1048555156 /nfs/dbraw/zinc/55/51/56/1048555156.db2.gz XKAJQGBQDUWQTR-UHFFFAOYSA-N 1 1 314.326 4.025 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCCC(C)(C)C#N)cc1 ZINC000776386287 1048586617 /nfs/dbraw/zinc/58/66/17/1048586617.db2.gz KHVMRGXDDXAXQM-UHFFFAOYSA-N 1 1 316.445 4.015 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(OC(F)(F)F)cc1 ZINC000159777453 1048593255 /nfs/dbraw/zinc/59/32/55/1048593255.db2.gz HQHMDYGIRWAMER-LBPRGKRZSA-N 1 1 320.314 4.308 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1c(F)cccc1F ZINC001176322539 1048652040 /nfs/dbraw/zinc/65/20/40/1048652040.db2.gz KTFLRPQVNXOHRH-CYBMUJFWSA-N 1 1 300.352 4.304 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001176322541 1048652126 /nfs/dbraw/zinc/65/21/26/1048652126.db2.gz KTFLRPQVNXOHRH-ZDUSSCGKSA-N 1 1 300.352 4.304 20 30 DIEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001176365430 1048661847 /nfs/dbraw/zinc/66/18/47/1048661847.db2.gz PTNHBWAJSAPUIZ-KXBFYZLASA-N 1 1 308.400 4.465 20 30 DIEDMO Cc1cc(C)c(COc2nc3c(cc2C#N)CCCCC3)c(C)[nH+]1 ZINC001189968164 1048678385 /nfs/dbraw/zinc/67/83/85/1048678385.db2.gz LDYVTKPYQHNRRH-UHFFFAOYSA-N 1 1 321.424 4.121 20 30 DIEDMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccccc2C(C)(C)C#N)[nH]n1 ZINC001176484337 1048694911 /nfs/dbraw/zinc/69/49/11/1048694911.db2.gz FWNJGJGCZSGSFH-LJQANCHMSA-N 1 1 322.456 4.247 20 30 DIEDMO C[N@H+]1CC[C@H](c2ccc(NC(C)(C)c3ccc(C#N)cc3)cc2)C1 ZINC001165792425 1048718393 /nfs/dbraw/zinc/71/83/93/1048718393.db2.gz VGAZAPFWMMWQIE-SFHVURJKSA-N 1 1 319.452 4.325 20 30 DIEDMO CC[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1cc(C#N)cs1 ZINC001176555192 1048724969 /nfs/dbraw/zinc/72/49/69/1048724969.db2.gz IOIAYSDHNXDQOT-INIZCTEOSA-N 1 1 306.381 4.481 20 30 DIEDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001176555192 1048724982 /nfs/dbraw/zinc/72/49/82/1048724982.db2.gz IOIAYSDHNXDQOT-INIZCTEOSA-N 1 1 306.381 4.481 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000160632317 1048725154 /nfs/dbraw/zinc/72/51/54/1048725154.db2.gz BTVCWGBATGVIHQ-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO CC[N@@H+](CCN1CCc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC001190475679 1048739097 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C#CC[N@H+](CCc1c(F)cccc1Cl)Cc1ccc(F)cc1 ZINC001190707859 1048774907 /nfs/dbraw/zinc/77/49/07/1048774907.db2.gz PDUIKGANOROHSE-UHFFFAOYSA-N 1 1 319.782 4.296 20 30 DIEDMO C#CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CCCCC1 ZINC001190706589 1048775784 /nfs/dbraw/zinc/77/57/84/1048775784.db2.gz AEXUAYAAEUPRCY-UHFFFAOYSA-N 1 1 308.425 4.418 20 30 DIEDMO C=CC[N@@H+](CC/C=C/c1cncc(OC)c1)CCc1ccccc1 ZINC001190707444 1048776022 /nfs/dbraw/zinc/77/60/22/1048776022.db2.gz IBRBOBFHDXQQBQ-YRNVUSSQSA-N 1 1 322.452 4.224 20 30 DIEDMO C=CC[N@@H+](Cc1nc([C@@H](C)SCC)no1)CC1CCCCC1 ZINC000483376378 1048786854 /nfs/dbraw/zinc/78/68/54/1048786854.db2.gz PQDSIMLSGYBUGK-CQSZACIVSA-N 1 1 323.506 4.452 20 30 DIEDMO C=CC[N@H+](Cc1nc([C@@H](C)SCC)no1)CC1CCCCC1 ZINC000483376378 1048786862 /nfs/dbraw/zinc/78/68/62/1048786862.db2.gz PQDSIMLSGYBUGK-CQSZACIVSA-N 1 1 323.506 4.452 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001176771793 1048788745 /nfs/dbraw/zinc/78/87/45/1048788745.db2.gz 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4.255 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355634 1048928938 /nfs/dbraw/zinc/92/89/38/1048928938.db2.gz LLIBEFMFHAGUJK-IERDGZPVSA-N 1 1 320.436 4.255 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+]([C@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355634 1048928949 /nfs/dbraw/zinc/92/89/49/1048928949.db2.gz LLIBEFMFHAGUJK-IERDGZPVSA-N 1 1 320.436 4.255 20 30 DIEDMO C#CC[N@H+](CC)Cc1cc(Br)c2ccccc2c1 ZINC001191391042 1048933662 /nfs/dbraw/zinc/93/36/62/1048933662.db2.gz UTXHJHUZSXYARN-UHFFFAOYSA-N 1 1 302.215 4.057 20 30 DIEDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191407554 1048936745 /nfs/dbraw/zinc/93/67/45/1048936745.db2.gz IQDULENDZGRCQK-GFCCVEGCSA-N 1 1 304.846 4.336 20 30 DIEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001191407561 1048937206 /nfs/dbraw/zinc/93/72/06/1048937206.db2.gz IQDULENDZGRCQK-LBPRGKRZSA-N 1 1 304.846 4.336 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001191485470 1048952358 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C=CC[N@H+](CCc1ccco1)Cc1cc2cc(OC)ccc2o1 ZINC001204983911 1049331424 /nfs/dbraw/zinc/33/14/24/1049331424.db2.gz DIRHTQYVTBMWNV-UHFFFAOYSA-N 1 1 311.381 4.265 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC001194155211 1049331592 /nfs/dbraw/zinc/33/15/92/1049331592.db2.gz ZRFBQGKDISESRC-HNAYVOBHSA-N 1 1 306.409 4.150 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC(C)(C)C)c1 ZINC001194163499 1049332939 /nfs/dbraw/zinc/33/29/39/1049332939.db2.gz HVFAUPQWUSTINR-UHFFFAOYSA-N 1 1 307.437 4.499 20 30 DIEDMO C#CC[N@H+](CCc1ccc(C)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001180296738 1049339425 /nfs/dbraw/zinc/33/94/25/1049339425.db2.gz LBOIIHWRSAPDTD-JOCHJYFZSA-N 1 1 303.449 4.469 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC001194222633 1049345019 /nfs/dbraw/zinc/34/50/19/1049345019.db2.gz WGDHXOGMQHNNLV-UHFFFAOYSA-N 1 1 302.421 4.464 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC001180331829 1049347167 /nfs/dbraw/zinc/34/71/67/1049347167.db2.gz 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CCCCC[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000486803841 1049478472 /nfs/dbraw/zinc/47/84/72/1049478472.db2.gz XEKWWZSJQYAEAM-QGZVFWFLSA-N 1 1 324.428 4.153 20 30 DIEDMO C=CC[C@@H]([NH2+][C@H](C)CC12CC3CC(CC(C3)C1)C2)C(=O)OCC ZINC001181454772 1049479190 /nfs/dbraw/zinc/47/91/90/1049479190.db2.gz GDLWIVALLUNVOE-MVJVIOSPSA-N 1 1 319.489 4.079 20 30 DIEDMO Cc1cccc(OC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)c1 ZINC001205493643 1049486734 /nfs/dbraw/zinc/48/67/34/1049486734.db2.gz HEPSYWPEAWURJO-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(C)c(COC)c1C ZINC001181638061 1049493410 /nfs/dbraw/zinc/49/34/10/1049493410.db2.gz PCPVCIWHZBKAJL-UHFFFAOYSA-N 1 1 321.464 4.394 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862440432 1049494267 /nfs/dbraw/zinc/49/42/67/1049494267.db2.gz HQXSFZHBLALJEN-CQSZACIVSA-N 1 1 301.459 4.015 20 30 DIEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC001195278917 1049508114 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C[C@@]1(c2ccccc2)CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001205755247 1049555278 /nfs/dbraw/zinc/55/52/78/1049555278.db2.gz FWQGJDLRJCXAPA-JOCHJYFZSA-N 1 1 303.449 4.482 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc(F)cc(OCC)c1)c1ccc(Cl)cc1 ZINC001182162334 1049580755 /nfs/dbraw/zinc/58/07/55/1049580755.db2.gz YCIAYLKQSLAAQA-SFHVURJKSA-N 1 1 317.791 4.342 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1cccc(F)c1C#N ZINC000794544184 1049584556 /nfs/dbraw/zinc/58/45/56/1049584556.db2.gz JULJZWADNNCKQZ-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC001205980595 1049616580 /nfs/dbraw/zinc/61/65/80/1049616580.db2.gz PZTZSEUAHSCODS-UHFFFAOYSA-N 1 1 306.453 4.471 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC001206023467 1049632540 /nfs/dbraw/zinc/63/25/40/1049632540.db2.gz QAFUJFNCTPJBTB-FQEVSTJZSA-N 1 1 320.436 4.119 20 30 DIEDMO CCCCC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001196330437 1049643274 /nfs/dbraw/zinc/64/32/74/1049643274.db2.gz YFGKGQDIINYERH-GOSISDBHSA-N 1 1 300.446 4.372 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001196442231 1049652811 /nfs/dbraw/zinc/65/28/11/1049652811.db2.gz POSOZDLOYNTIKU-OAHLLOKOSA-N 1 1 301.430 4.040 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)c(C(F)(F)F)cc2F)C1 ZINC001196441721 1049652844 /nfs/dbraw/zinc/65/28/44/1049652844.db2.gz MBMAKXZVYLQXGL-SNVBAGLBSA-N 1 1 305.290 4.382 20 30 DIEDMO CC(C)([NH2+]CC#Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC001196490535 1049665694 /nfs/dbraw/zinc/66/56/94/1049665694.db2.gz ZBWMEAQVUWLIFZ-UHFFFAOYSA-N 1 1 324.424 4.312 20 30 DIEDMO CC(C)Oc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001196624002 1049678525 /nfs/dbraw/zinc/67/85/25/1049678525.db2.gz WQIUMTKILNHXMN-UHFFFAOYSA-N 1 1 320.436 4.098 20 30 DIEDMO Cc1[nH+]ccn1CCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000488760489 1049694359 /nfs/dbraw/zinc/69/43/59/1049694359.db2.gz MJDSNVJBTPNSJR-UHFFFAOYSA-N 1 1 317.392 4.199 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC001182806305 1049710241 /nfs/dbraw/zinc/71/02/41/1049710241.db2.gz RVNKHLSKGANXCR-LBPRGKRZSA-N 1 1 312.226 4.376 20 30 DIEDMO CC(C)Cc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC001206376418 1049724318 /nfs/dbraw/zinc/72/43/18/1049724318.db2.gz GOBQZWPMYOKKKG-INIZCTEOSA-N 1 1 307.441 4.345 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC001197368591 1049749088 /nfs/dbraw/zinc/74/90/88/1049749088.db2.gz IXYWKNJYVHHRBK-IBGZPJMESA-N 1 1 308.450 4.238 20 30 DIEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001197431111 1049753030 /nfs/dbraw/zinc/75/30/30/1049753030.db2.gz BVZOZQGRWDCCAO-CQSZACIVSA-N 1 1 312.438 4.008 20 30 DIEDMO C#CCCCCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001197497312 1049756937 /nfs/dbraw/zinc/75/69/37/1049756937.db2.gz PQRUFFHKMRAMBJ-INIZCTEOSA-N 1 1 315.457 4.207 20 30 DIEDMO C#CCCCCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001197497313 1049757584 /nfs/dbraw/zinc/75/75/84/1049757584.db2.gz PQRUFFHKMRAMBJ-MRXNPFEDSA-N 1 1 315.457 4.207 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000489430195 1049757684 /nfs/dbraw/zinc/75/76/84/1049757684.db2.gz QGULVGGTLAUEMB-OAHLLOKOSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000489430195 1049757701 /nfs/dbraw/zinc/75/77/01/1049757701.db2.gz QGULVGGTLAUEMB-OAHLLOKOSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000489466443 1049760557 /nfs/dbraw/zinc/76/05/57/1049760557.db2.gz YBDXRZBXSVIMMO-IBGZPJMESA-N 1 1 308.425 4.201 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)C1 ZINC001206744260 1049790818 /nfs/dbraw/zinc/79/08/18/1049790818.db2.gz XLCJHIYFCFZFDR-JOCHJYFZSA-N 1 1 318.464 4.324 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](Cc2sc(C)cc2Br)C1 ZINC001206800434 1049801482 /nfs/dbraw/zinc/80/14/82/1049801482.db2.gz KPTSSMQMYDDHMH-LLVKDONJSA-N 1 1 300.265 4.217 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000490140025 1049806007 /nfs/dbraw/zinc/80/60/07/1049806007.db2.gz QNBLSADHELEIFE-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccc(Cl)cc1)CC2 ZINC001207179180 1049851189 /nfs/dbraw/zinc/85/11/89/1049851189.db2.gz BLGNGOZNJDKYHQ-AZUAARDMSA-N 1 1 322.839 4.373 20 30 DIEDMO COc1cc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)ccc1C#N ZINC001207208827 1049862344 /nfs/dbraw/zinc/86/23/44/1049862344.db2.gz JVGHJRJHXJSKNH-FQEVSTJZSA-N 1 1 324.399 4.028 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)ccc1C#N ZINC001207208827 1049862351 /nfs/dbraw/zinc/86/23/51/1049862351.db2.gz JVGHJRJHXJSKNH-FQEVSTJZSA-N 1 1 324.399 4.028 20 30 DIEDMO Cc1ccc2cc(C[N@@H+](C)CCc3cccc(C#N)c3)ccc2n1 ZINC001207218358 1049864216 /nfs/dbraw/zinc/86/42/16/1049864216.db2.gz JRANPJRZLWLSMG-UHFFFAOYSA-N 1 1 315.420 4.089 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCC1CCCCC1)CCO2 ZINC001207260709 1049871239 /nfs/dbraw/zinc/87/12/39/1049871239.db2.gz WRZSWGQWKYCKGG-VQTJNVASSA-N 1 1 321.505 4.031 20 30 DIEDMO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001207406788 1049887491 /nfs/dbraw/zinc/88/74/91/1049887491.db2.gz KBCGHRIQDHWYAL-MOPGFXCFSA-N 1 1 318.505 4.280 20 30 DIEDMO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001207406790 1049887937 /nfs/dbraw/zinc/88/79/37/1049887937.db2.gz KBCGHRIQDHWYAL-RBUKOAKNSA-N 1 1 318.505 4.280 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000586773599 1049893616 /nfs/dbraw/zinc/89/36/16/1049893616.db2.gz WGOOPOSLJNRPQY-UHFFFAOYSA-N 1 1 306.409 4.370 20 30 DIEDMO C[C@H]([NH2+]Cc1cscc1Br)c1cccc(C#N)c1 ZINC000586778347 1049895770 /nfs/dbraw/zinc/89/57/70/1049895770.db2.gz YJBUOQZONIWMDN-JTQLQIEISA-N 1 1 321.243 4.233 20 30 DIEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000586779762 1049899148 /nfs/dbraw/zinc/89/91/48/1049899148.db2.gz ZAKLCGQILRPVJP-VQIMIIECSA-N 1 1 314.473 4.003 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001207525544 1049904932 /nfs/dbraw/zinc/90/49/32/1049904932.db2.gz CVWGJOYHGUITJB-SFHVURJKSA-N 1 1 304.437 4.444 20 30 DIEDMO COc1ccc(CCC[N@H+](CCC#N)Cc2ccccc2)cc1 ZINC001207572280 1049910339 /nfs/dbraw/zinc/91/03/39/1049910339.db2.gz PTVFKJWVEWJBIP-UHFFFAOYSA-N 1 1 308.425 4.044 20 30 DIEDMO COc1ccc(CCC[N@@H+](CCC#N)Cc2ccccc2)cc1 ZINC001207572280 1049910363 /nfs/dbraw/zinc/91/03/63/1049910363.db2.gz PTVFKJWVEWJBIP-UHFFFAOYSA-N 1 1 308.425 4.044 20 30 DIEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000571006195 1049919058 /nfs/dbraw/zinc/91/90/58/1049919058.db2.gz PSXLAXKVMVUWDD-DOTOQJQBSA-N 1 1 313.445 4.446 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845861 1049945980 /nfs/dbraw/zinc/94/59/80/1049945980.db2.gz PFGDHSWIWKTWMT-OAHLLOKOSA-N 1 1 310.363 4.264 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845860 1049946118 /nfs/dbraw/zinc/94/61/18/1049946118.db2.gz PFGDHSWIWKTWMT-HNNXBMFYSA-N 1 1 310.363 4.264 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](CCCc2cccc(C(F)(F)F)c2)CC1 ZINC001207845761 1049946225 /nfs/dbraw/zinc/94/62/25/1049946225.db2.gz MMLIXMYEIIQUFX-OAHLLOKOSA-N 1 1 310.363 4.264 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC001207894192 1049950451 /nfs/dbraw/zinc/95/04/51/1049950451.db2.gz CWAUSCBRSHVIGE-UTKZUKDTSA-N 1 1 320.436 4.300 20 30 DIEDMO C=CCCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001207895607 1049950687 /nfs/dbraw/zinc/95/06/87/1049950687.db2.gz AMSVOWXNUSANTF-MRXNPFEDSA-N 1 1 303.437 4.243 20 30 DIEDMO C=CCCCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001207899598 1049952357 /nfs/dbraw/zinc/95/23/57/1049952357.db2.gz ICJHSVXIGWLNGK-MOPGFXCFSA-N 1 1 320.521 4.236 20 30 DIEDMO C=CCCCCCCCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC001207900117 1049952440 /nfs/dbraw/zinc/95/24/40/1049952440.db2.gz UTKPKKMMRISIIV-UHFFFAOYSA-N 1 1 309.494 4.175 20 30 DIEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCCC/C=C\CC)C2 ZINC001208191685 1049983588 /nfs/dbraw/zinc/98/35/88/1049983588.db2.gz WMBMNOLJXVJRDQ-SBUVDCAVSA-N 1 1 321.505 4.339 20 30 DIEDMO CC(C)(CC[N@H+]1CCc2cc(C#N)ccc2C1)c1ccccc1 ZINC001208663401 1050000092 /nfs/dbraw/zinc/00/00/92/1050000092.db2.gz KAKHNLWPXHQTBB-UHFFFAOYSA-N 1 1 304.437 4.284 20 30 DIEDMO C=CC[N@@H+](CCOCCOCc1ccccc1)C1CCCCC1 ZINC001208753436 1050008501 /nfs/dbraw/zinc/00/85/01/1050008501.db2.gz IAVRYDDBOOKKMC-UHFFFAOYSA-N 1 1 317.473 4.041 20 30 DIEDMO CCCC[N@H+](CCC#N)CCCc1ccccc1Br ZINC001208847254 1050015873 /nfs/dbraw/zinc/01/58/73/1050015873.db2.gz WQPCQWPZCYDPFQ-UHFFFAOYSA-N 1 1 323.278 4.397 20 30 DIEDMO N#Cc1cccc(CCC[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001208850855 1050016676 /nfs/dbraw/zinc/01/66/76/1050016676.db2.gz LGOCZZWTLNLPQO-UHFFFAOYSA-N 1 1 310.828 4.203 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208853729 1050017319 /nfs/dbraw/zinc/01/73/19/1050017319.db2.gz UHJKWQQLNUQOAD-FQEVSTJZSA-N 1 1 320.436 4.337 20 30 DIEDMO C[N@@H+](CCCc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 ZINC001208856209 1050017600 /nfs/dbraw/zinc/01/76/00/1050017600.db2.gz CTFIGQZGWXRKRP-UHFFFAOYSA-N 1 1 308.469 4.391 20 30 DIEDMO N#Cc1cccc(CCC[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001208851290 1050017785 /nfs/dbraw/zinc/01/77/85/1050017785.db2.gz VUWLHDQAWAIYHN-UHFFFAOYSA-N 1 1 302.421 4.280 20 30 DIEDMO N#Cc1cccc(CCC[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001208851240 1050017831 /nfs/dbraw/zinc/01/78/31/1050017831.db2.gz UXERUDFBBQJUFH-KDURUIRLSA-N 1 1 302.421 4.078 20 30 DIEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC001208862919 1050018607 /nfs/dbraw/zinc/01/86/07/1050018607.db2.gz SBJBPLOMZONGET-LJQANCHMSA-N 1 1 308.400 4.119 20 30 DIEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CCc1ccccc1Cl ZINC001208862668 1050018994 /nfs/dbraw/zinc/01/89/94/1050018994.db2.gz NGQSTGIKJOLIRA-UHFFFAOYSA-N 1 1 312.844 4.319 20 30 DIEDMO CC(C)[N@@H+](CCCc1ccc(C#N)cc1)CC(=O)c1ccccc1 ZINC001208861982 1050019033 /nfs/dbraw/zinc/01/90/33/1050019033.db2.gz DGHPHOHYBBUWTE-UHFFFAOYSA-N 1 1 320.436 4.084 20 30 DIEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000589506600 1050037312 /nfs/dbraw/zinc/03/73/12/1050037312.db2.gz HLLQXKFFERBYTP-SECBINFHSA-N 1 1 323.318 4.033 20 30 DIEDMO C=CCCCC[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001209200740 1050043521 /nfs/dbraw/zinc/04/35/21/1050043521.db2.gz NXKCIHWNAMLPCZ-UXHICEINSA-N 1 1 314.473 4.057 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001209201764 1050043540 /nfs/dbraw/zinc/04/35/40/1050043540.db2.gz QZVZFDZLZLFNIH-LJQANCHMSA-N 1 1 322.493 4.066 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001209202212 1050043744 /nfs/dbraw/zinc/04/37/44/1050043744.db2.gz CIMSTOFCCSTKTD-FQEVSTJZSA-N 1 1 316.464 4.222 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC001209201883 1050043813 /nfs/dbraw/zinc/04/38/13/1050043813.db2.gz XSURPPJYZDNMNN-LJQANCHMSA-N 1 1 322.493 4.208 20 30 DIEDMO N#CCC[N@H+](CCc1ccccc1C(F)(F)F)C1CCCC1 ZINC001209284502 1050050558 /nfs/dbraw/zinc/05/05/58/1050050558.db2.gz HXEHUUFITYLHQO-UHFFFAOYSA-N 1 1 310.363 4.406 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209423112 1050057340 /nfs/dbraw/zinc/05/73/40/1050057340.db2.gz GBIOOEHOBSRQIH-IBGZPJMESA-N 1 1 322.493 4.208 20 30 DIEDMO C=CCCCCCC[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001209435024 1050058262 /nfs/dbraw/zinc/05/82/62/1050058262.db2.gz CRSPKDMNRQNBNK-UHFFFAOYSA-N 1 1 322.493 4.112 20 30 DIEDMO C=CCCCCCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001209435252 1050058456 /nfs/dbraw/zinc/05/84/56/1050058456.db2.gz HTGLLUZOFUGDBJ-IAGOWNOFSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCCCCCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001209435462 1050058483 /nfs/dbraw/zinc/05/84/83/1050058483.db2.gz CYVFBCNGLYTLLV-UHFFFAOYSA-N 1 1 321.461 4.281 20 30 DIEDMO C=CCCCCC[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001209432322 1050058669 /nfs/dbraw/zinc/05/86/69/1050058669.db2.gz CITUQFXLXOGNHG-HXUWFJFHSA-N 1 1 313.441 4.074 20 30 DIEDMO C=CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001209436212 1050059243 /nfs/dbraw/zinc/05/92/43/1050059243.db2.gz SDKRDPIOATUKMI-ULQDDVLXSA-N 1 1 322.493 4.110 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209438116 1050059567 /nfs/dbraw/zinc/05/95/67/1050059567.db2.gz GGQPKHFSMASYGZ-LJQANCHMSA-N 1 1 312.457 4.026 20 30 DIEDMO C=CCCCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209438116 1050059573 /nfs/dbraw/zinc/05/95/73/1050059573.db2.gz GGQPKHFSMASYGZ-LJQANCHMSA-N 1 1 312.457 4.026 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001209440467 1050059676 /nfs/dbraw/zinc/05/96/76/1050059676.db2.gz DBBMPTXDBIRSBX-RTBURBONSA-N 1 1 309.494 4.031 20 30 DIEDMO C=CCCCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209440596 1050059729 /nfs/dbraw/zinc/05/97/29/1050059729.db2.gz FXRJESCTGBJBFW-MOPGFXCFSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001209440464 1050059803 /nfs/dbraw/zinc/05/98/03/1050059803.db2.gz DBBMPTXDBIRSBX-MOPGFXCFSA-N 1 1 309.494 4.031 20 30 DIEDMO C=CCCCCCCCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209445384 1050060273 /nfs/dbraw/zinc/06/02/73/1050060273.db2.gz JQBVRAYAKUZOPU-IBGZPJMESA-N 1 1 302.462 4.372 20 30 DIEDMO C=CCCCCCCCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209445384 1050060282 /nfs/dbraw/zinc/06/02/82/1050060282.db2.gz JQBVRAYAKUZOPU-IBGZPJMESA-N 1 1 302.462 4.372 20 30 DIEDMO C=CCCCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC001209443698 1050060600 /nfs/dbraw/zinc/06/06/00/1050060600.db2.gz FGCBOPNPFQVJQY-UHFFFAOYSA-N 1 1 306.416 4.083 20 30 DIEDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001209518077 1050066105 /nfs/dbraw/zinc/06/61/05/1050066105.db2.gz MSGNUQAWCMXDBU-GOSISDBHSA-N 1 1 307.441 4.220 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(O)c(OC)c1 ZINC001209533454 1050066787 /nfs/dbraw/zinc/06/67/87/1050066787.db2.gz LYVNDOMMCAAHBI-UHFFFAOYSA-N 1 1 315.388 4.118 20 30 DIEDMO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(F)c1C#N ZINC000589984256 1050070029 /nfs/dbraw/zinc/07/00/29/1050070029.db2.gz ONRUIGXWXJWCGB-UHFFFAOYSA-N 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N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001143711737 1050342232 /nfs/dbraw/zinc/34/22/32/1050342232.db2.gz DIBDNLWGBIELHJ-LLVKDONJSA-N 1 1 316.754 4.484 20 30 DIEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1csc2ccccc12 ZINC000058591198 1050345152 /nfs/dbraw/zinc/34/51/52/1050345152.db2.gz QPTXGXLQHYVOAK-UHFFFAOYSA-N 1 1 322.433 4.284 20 30 DIEDMO CC(C)(C)OC(=O)C1([NH2+]CCCC(C)(C)C#N)CCCCCC1 ZINC000593063984 1050361163 /nfs/dbraw/zinc/36/11/63/1050361163.db2.gz WLMJXPABTHHFJR-UHFFFAOYSA-N 1 1 322.493 4.341 20 30 DIEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1ccncc1 ZINC000772456530 1050361557 /nfs/dbraw/zinc/36/15/57/1050361557.db2.gz RHIKOTKPPJDCKH-DZGCQCFKSA-N 1 1 313.470 4.385 20 30 DIEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCCCC1 ZINC000735308118 1050366200 /nfs/dbraw/zinc/36/62/00/1050366200.db2.gz CERWHIRLWCATBR-UHFFFAOYSA-N 1 1 306.837 4.397 20 30 DIEDMO CC1CCC([N@@H+](C)Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735306753 1050367605 /nfs/dbraw/zinc/36/76/05/1050367605.db2.gz 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CCCCCCC[C@@H](CCC)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001172510416 1051426450 /nfs/dbraw/zinc/42/64/50/1051426450.db2.gz BRITYFTUKVCJCS-GOSISDBHSA-N 1 1 310.526 4.458 20 30 DIEDMO Cc1ccccc1SC[C@@H](C)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC001168838042 1051450566 /nfs/dbraw/zinc/45/05/66/1051450566.db2.gz KWRAISUNVZQFLM-GJZGRUSLSA-N 1 1 302.487 4.347 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc4c(c3)CCC4)CC2)cc1 ZINC001168871914 1051456260 /nfs/dbraw/zinc/45/62/60/1051456260.db2.gz FFWMPBULVKUCHY-UHFFFAOYSA-N 1 1 314.432 4.336 20 30 DIEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCCOc1cccc(C#N)c1 ZINC001169013509 1051487413 /nfs/dbraw/zinc/48/74/13/1051487413.db2.gz GSLHDHWYFYRHBX-FQEVSTJZSA-N 1 1 320.436 4.164 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001129701952 1051489851 /nfs/dbraw/zinc/48/98/51/1051489851.db2.gz FZSRGWQSNYBRJN-SFHVURJKSA-N 1 1 316.489 4.080 20 30 DIEDMO CCCCCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001129701952 1051489857 /nfs/dbraw/zinc/48/98/57/1051489857.db2.gz 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CCC1(CC)C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000768527806 1051938162 /nfs/dbraw/zinc/93/81/62/1051938162.db2.gz FNWAZAFIFSDVLW-HNNXBMFYSA-N 1 1 318.486 4.085 20 30 DIEDMO C=CC1(CC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCCCC1 ZINC001131092639 1051949014 /nfs/dbraw/zinc/94/90/14/1051949014.db2.gz PLUGMXITNJQDFD-GOSISDBHSA-N 1 1 318.505 4.036 20 30 DIEDMO C#Cc1cccc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000768662943 1051952078 /nfs/dbraw/zinc/95/20/78/1051952078.db2.gz DWSDMZLVIQMFGS-UTKZUKDTSA-N 1 1 304.437 4.133 20 30 DIEDMO N#Cc1cccc(Nc2cc[nH+]c3ccccc23)c1Br ZINC001174038556 1051961868 /nfs/dbraw/zinc/96/18/68/1051961868.db2.gz BGUJIEBQYDPOCN-UHFFFAOYSA-N 1 1 324.181 4.034 20 30 DIEDMO N#Cc1ccc(Br)cc1Nc1cc[nH+]c2ccccc12 ZINC001174038203 1051962390 /nfs/dbraw/zinc/96/23/90/1051962390.db2.gz ISXJMNGGPIINIZ-UHFFFAOYSA-N 1 1 324.181 4.034 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169996532 1051969338 /nfs/dbraw/zinc/96/93/38/1051969338.db2.gz 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CCCCCCC[C@@H](C)OCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001217840374 1052152869 /nfs/dbraw/zinc/15/28/69/1052152869.db2.gz DBGDSYJRLKILEG-CVEARBPZSA-N 1 1 315.498 4.201 20 30 DIEDMO CC(C)(C)OC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCCCC1 ZINC000769765215 1052100716 /nfs/dbraw/zinc/10/07/16/1052100716.db2.gz PKADSDITBCPKHR-UHFFFAOYSA-N 1 1 322.493 4.341 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nnc(CCCc2ccccc2)o1 ZINC001217697036 1052119802 /nfs/dbraw/zinc/11/98/02/1052119802.db2.gz VLJOGQNVNACUAO-KRWDZBQOSA-N 1 1 313.445 4.381 20 30 DIEDMO CC(C)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757894 1052151640 /nfs/dbraw/zinc/15/16/40/1052151640.db2.gz CQCIXOBCPRLDQH-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO CC(C)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)cc1 ZINC000761757894 1052151648 /nfs/dbraw/zinc/15/16/48/1052151648.db2.gz CQCIXOBCPRLDQH-OAQYLSRUSA-N 1 1 320.436 4.255 20 30 DIEDMO CCCCCCCC[C@@H](CC)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217899020 1052167371 /nfs/dbraw/zinc/16/73/71/1052167371.db2.gz ZUZIYOPHGBZVJU-SJORKVTESA-N 1 1 315.498 4.203 20 30 DIEDMO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761766594 1052169621 /nfs/dbraw/zinc/16/96/21/1052169621.db2.gz SVWZEYLVTWXVHY-PMACEKPBSA-N 1 1 324.399 4.222 20 30 DIEDMO CC[C@@H](c1ccc(F)cc1)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000761766594 1052169623 /nfs/dbraw/zinc/16/96/23/1052169623.db2.gz SVWZEYLVTWXVHY-PMACEKPBSA-N 1 1 324.399 4.222 20 30 DIEDMO CC(C)C[N@@H+](C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495092068 1052212770 /nfs/dbraw/zinc/21/27/70/1052212770.db2.gz LJCOVTJTWBDQJJ-ARJAWSKDSA-N 1 1 305.425 4.125 20 30 DIEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNc2ccccc2)c1C ZINC000914690247 1052217172 /nfs/dbraw/zinc/21/71/72/1052217172.db2.gz OISRZTDVIRYSAB-HXUWFJFHSA-N 1 1 324.472 4.035 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1OC ZINC000487880005 1052284812 /nfs/dbraw/zinc/28/48/12/1052284812.db2.gz RJCLZQRCGFMHOH-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn(-c2ccccc2)c1 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N#CCCCCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224690693 1052716383 /nfs/dbraw/zinc/71/63/83/1052716383.db2.gz WKNKVDATVZDZMX-PMOLBWCYSA-N 1 1 312.457 4.283 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1CO[C@H](C#Cc1ccccc1)c1ccccc1 ZINC001224705244 1052718322 /nfs/dbraw/zinc/71/83/22/1052718322.db2.gz DRZZHKNTLVINKM-FGZHOGPDSA-N 1 1 319.448 4.280 20 30 DIEDMO C=C(CO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224733951 1052721337 /nfs/dbraw/zinc/72/13/37/1052721337.db2.gz HPHYWIBTIGVWRI-OAQYLSRUSA-N 1 1 307.437 4.381 20 30 DIEDMO CCCCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224751656 1052722786 /nfs/dbraw/zinc/72/27/86/1052722786.db2.gz CRBLWYRKFJAIGF-QQTVYSQJSA-N 1 1 309.494 4.146 20 30 DIEDMO CCCCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224751656 1052722790 /nfs/dbraw/zinc/72/27/90/1052722790.db2.gz CRBLWYRKFJAIGF-QQTVYSQJSA-N 1 1 309.494 4.146 20 30 DIEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225333612 1052775796 /nfs/dbraw/zinc/77/57/96/1052775796.db2.gz IORMXHSAAKEYPJ-NRFANRHFSA-N 1 1 320.436 4.477 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000129906928 1052814151 /nfs/dbraw/zinc/81/41/51/1052814151.db2.gz QCMDRGJQWIXNIN-OAQYLSRUSA-N 1 1 322.452 4.040 20 30 DIEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000919654826 1052880260 /nfs/dbraw/zinc/88/02/60/1052880260.db2.gz OCECDKXIAKHOCZ-ROUUACIJSA-N 1 1 323.525 4.005 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000155088680 1052888423 /nfs/dbraw/zinc/88/84/23/1052888423.db2.gz RUVGPCOCLZVXGI-YLJYHZDGSA-N 1 1 320.436 4.042 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)o1 ZINC000556945564 1052902416 /nfs/dbraw/zinc/90/24/16/1052902416.db2.gz RPOPHOSXYRYWGE-NRFANRHFSA-N 1 1 314.388 4.299 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)o1 ZINC000556945564 1052902417 /nfs/dbraw/zinc/90/24/17/1052902417.db2.gz RPOPHOSXYRYWGE-NRFANRHFSA-N 1 1 314.388 4.299 20 30 DIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C2CC2)C2CCCC2)c1O ZINC000919940411 1052905946 /nfs/dbraw/zinc/90/59/46/1052905946.db2.gz FTJNUIUXJQSGJS-UHFFFAOYSA-N 1 1 315.457 4.426 20 30 DIEDMO Cc1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C#N ZINC001226920693 1052945475 /nfs/dbraw/zinc/94/54/75/1052945475.db2.gz WISVIOGQIABLKJ-PXNSSMCTSA-N 1 1 320.436 4.156 20 30 DIEDMO CCCCCCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000920810012 1052951528 /nfs/dbraw/zinc/95/15/28/1052951528.db2.gz XGFRAQLVWMTEMH-FGTMMUONSA-N 1 1 308.510 4.211 20 30 DIEDMO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccccc2C#N)cc1 ZINC000609706103 1052988647 /nfs/dbraw/zinc/98/86/47/1052988647.db2.gz XIAGPHSLRBWZTK-LJQANCHMSA-N 1 1 308.450 4.157 20 30 DIEDMO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccccc2C#N)cc1 ZINC000609706103 1052988651 /nfs/dbraw/zinc/98/86/51/1052988651.db2.gz XIAGPHSLRBWZTK-LJQANCHMSA-N 1 1 308.450 4.157 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609823491 1052994389 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CC(C)([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(F)c1 ZINC000180855993 1053100227 /nfs/dbraw/zinc/10/02/27/1053100227.db2.gz VAYTUJWDWMDARF-UHFFFAOYSA-N 1 1 304.315 4.000 20 30 DIEDMO CC[N@H+]1CC[C@H](Oc2ccc(/C=C\C(=O)c3ccccc3)cc2)C1 ZINC001228498215 1053119321 /nfs/dbraw/zinc/11/93/21/1053119321.db2.gz LLIBOHPTLZJYCY-IMTHGLKYSA-N 1 1 321.420 4.056 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c(OC)c1 ZINC001317701325 1053126775 /nfs/dbraw/zinc/12/67/75/1053126775.db2.gz JKUAOLFOPUFZQX-IAGOWNOFSA-N 1 1 315.457 4.141 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c(O)c(OC)c1 ZINC001317701326 1053126777 /nfs/dbraw/zinc/12/67/77/1053126777.db2.gz JKUAOLFOPUFZQX-IRXDYDNUSA-N 1 1 315.457 4.141 20 30 DIEDMO CC(C)(C)[NH+]1CC(Oc2ccccc2C=Nc2ccccc2)C1 ZINC001228564148 1053135989 /nfs/dbraw/zinc/13/59/89/1053135989.db2.gz GSTAKPFGTFSHEK-UHFFFAOYSA-N 1 1 308.425 4.299 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1cccc(C#N)c1 ZINC000617506110 1053149847 /nfs/dbraw/zinc/14/98/47/1053149847.db2.gz XMPHNJUHRITANG-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1cccc(C#N)c1 ZINC000617506111 1053150624 /nfs/dbraw/zinc/15/06/24/1053150624.db2.gz XMPHNJUHRITANG-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC001319241096 1053230773 /nfs/dbraw/zinc/23/07/73/1053230773.db2.gz WJHQVWFEDVQFOE-CVEARBPZSA-N 1 1 302.487 4.204 20 30 DIEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccc(C)cc1C ZINC000618276740 1053290618 /nfs/dbraw/zinc/29/06/18/1053290618.db2.gz PLEKXOKUBKHUHT-UHFFFAOYSA-N 1 1 316.489 4.472 20 30 DIEDMO CCCCCCCOc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000100019581 1053299587 /nfs/dbraw/zinc/29/95/87/1053299587.db2.gz PVDQBIRQBQYESL-IBGZPJMESA-N 1 1 318.505 4.207 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Br ZINC001236860330 1053311557 /nfs/dbraw/zinc/31/15/57/1053311557.db2.gz HCOWJUBYTPJORF-CJNGLKHVSA-N 1 1 319.246 4.085 20 30 DIEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)C1 ZINC001229428324 1053317338 /nfs/dbraw/zinc/31/73/38/1053317338.db2.gz IDPPLRVHZXLUFB-ZTVSIKPCSA-N 1 1 321.420 4.056 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)C1 ZINC001229427923 1053318882 /nfs/dbraw/zinc/31/88/82/1053318882.db2.gz DZPAFIJHEXIBOA-VHNWJRSRSA-N 1 1 321.420 4.056 20 30 DIEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC001320428710 1053335888 /nfs/dbraw/zinc/33/58/88/1053335888.db2.gz DLXPOGDCUFKYRM-CQSZACIVSA-N 1 1 314.816 4.168 20 30 DIEDMO C=C[C@@H](COC)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC001320592631 1053349077 /nfs/dbraw/zinc/34/90/77/1053349077.db2.gz SDVYFGDDHBDOFQ-WCBMZHEXSA-N 1 1 306.258 4.223 20 30 DIEDMO C[N@@H+](CCc1ccc(Br)cc1)CC(C)(C)CCC#N ZINC000093006400 1053357449 /nfs/dbraw/zinc/35/74/49/1053357449.db2.gz BRZMLZYUGXREDL-UHFFFAOYSA-N 1 1 323.278 4.253 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001545710323 1053360803 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CC(C)(C)[NH+]1CC(Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229932588 1053435118 /nfs/dbraw/zinc/43/51/18/1053435118.db2.gz FRBUUQMTZQCARH-CIAFOILYSA-N 1 1 324.424 4.004 20 30 DIEDMO CC(C)(C)c1cnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000619197390 1053453708 /nfs/dbraw/zinc/45/37/08/1053453708.db2.gz MUVRMYXWEBQBRX-HNNXBMFYSA-N 1 1 311.454 4.089 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cc2)C1 ZINC001230252796 1053505545 /nfs/dbraw/zinc/50/55/45/1053505545.db2.gz ICLINZOZRXUJTR-OAQYLSRUSA-N 1 1 318.420 4.089 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cc2)C1 ZINC001230252786 1053505734 /nfs/dbraw/zinc/50/57/34/1053505734.db2.gz ICLINZOZRXUJTR-NRFANRHFSA-N 1 1 318.420 4.089 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC001353247162 1053520186 /nfs/dbraw/zinc/52/01/86/1053520186.db2.gz MUVQSOOYBJZCAU-MRXNPFEDSA-N 1 1 323.371 4.151 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccc(F)cc1F ZINC000619746695 1053552138 /nfs/dbraw/zinc/55/21/38/1053552138.db2.gz IOCQEBYCBXJVKX-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2F)cc1Cl ZINC000619749011 1053556371 /nfs/dbraw/zinc/55/63/71/1053556371.db2.gz WDMYKEVPXQSLBP-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000152973480 1053564056 /nfs/dbraw/zinc/56/40/56/1053564056.db2.gz FQXCPMBDOWXXQN-CYBMUJFWSA-N 1 1 310.844 4.170 20 30 DIEDMO Cc1cc(C#N)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001230682584 1053579589 /nfs/dbraw/zinc/57/95/89/1053579589.db2.gz OJBXBDPXYSWPPP-LAUBAEHRSA-N 1 1 320.436 4.156 20 30 DIEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cc2ccccc2[nH]1 ZINC001323666485 1053594250 /nfs/dbraw/zinc/59/42/50/1053594250.db2.gz CZAWCAQPIHVXIS-UHFFFAOYSA-N 1 1 308.812 4.305 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cc2ccccc2[nH]1 ZINC001323666485 1053594260 /nfs/dbraw/zinc/59/42/60/1053594260.db2.gz CZAWCAQPIHVXIS-UHFFFAOYSA-N 1 1 308.812 4.305 20 30 DIEDMO C=CCc1cccc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001231011287 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/nfs/dbraw/zinc/73/85/52/1054738552.db2.gz UGLHFVKXCKYHNY-UHFFFAOYSA-N 1 1 300.352 4.053 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1F)Cc1ccccc1CC#N ZINC001235526016 1054738571 /nfs/dbraw/zinc/73/85/71/1054738571.db2.gz UGLHFVKXCKYHNY-UHFFFAOYSA-N 1 1 300.352 4.053 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001235530589 1054739191 /nfs/dbraw/zinc/73/91/91/1054739191.db2.gz VXFGWXAKAVFXPT-SFHVURJKSA-N 1 1 322.427 4.346 20 30 DIEDMO COc1ccc(Cl)c2c1CCC[C@@H]2[N@@H+](C)CC1(CC#N)CC1 ZINC001473606729 1054753827 /nfs/dbraw/zinc/75/38/27/1054753827.db2.gz RSTDWEGMQONEIF-HNNXBMFYSA-N 1 1 318.848 4.352 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235665752 1054763304 /nfs/dbraw/zinc/76/33/04/1054763304.db2.gz XZXHTAQZILZCOK-SFHVURJKSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235665752 1054763320 /nfs/dbraw/zinc/76/33/20/1054763320.db2.gz XZXHTAQZILZCOK-SFHVURJKSA-N 1 1 300.352 4.420 20 30 DIEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@H]2C2CCCCC2)c(F)c1 ZINC001235665949 1054763767 /nfs/dbraw/zinc/76/37/67/1054763767.db2.gz ZOZYSEIXXOYOGU-SFHVURJKSA-N 1 1 304.384 4.381 20 30 DIEDMO CC[C@H](c1ccccc1)[N@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235665749 1054764525 /nfs/dbraw/zinc/76/45/25/1054764525.db2.gz XZXHTAQZILZCOK-GOSISDBHSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235665749 1054764537 /nfs/dbraw/zinc/76/45/37/1054764537.db2.gz XZXHTAQZILZCOK-GOSISDBHSA-N 1 1 300.352 4.420 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(F)c(C#N)c2)nc1 ZINC001235891853 1054832730 /nfs/dbraw/zinc/83/27/30/1054832730.db2.gz UTLJGWJFZYABEV-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)c(Cl)cc1N ZINC001235949791 1054867486 /nfs/dbraw/zinc/86/74/86/1054867486.db2.gz IAYCIFJZZHYROW-UHFFFAOYSA-N 1 1 317.658 4.083 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)s1 ZINC001236189358 1054987717 /nfs/dbraw/zinc/98/77/17/1054987717.db2.gz CVHJELGORKQGMP-SFHVURJKSA-N 1 1 307.422 4.438 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184083422 1055068405 /nfs/dbraw/zinc/06/84/05/1055068405.db2.gz ALVJVSIBRKYGFR-LBPRGKRZSA-N 1 1 315.398 4.105 20 30 DIEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nc(C(C)(C)C)cs1 ZINC000184452738 1055076269 /nfs/dbraw/zinc/07/62/69/1055076269.db2.gz NYPDZAKJPJPESB-ZDUSSCGKSA-N 1 1 316.445 4.282 20 30 DIEDMO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1nccs1 ZINC000185056290 1055087925 /nfs/dbraw/zinc/08/79/25/1055087925.db2.gz HAUCLXDZYZWHQM-CQSZACIVSA-N 1 1 324.371 4.254 20 30 DIEDMO C=CCCCCCN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236402111 1055094026 /nfs/dbraw/zinc/09/40/26/1055094026.db2.gz VKJXMPBKDBEFAH-UHFFFAOYSA-N 1 1 304.453 4.126 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000764465219 1055187877 /nfs/dbraw/zinc/18/78/77/1055187877.db2.gz WERGWDQULMJYET-QZTJIDSGSA-N 1 1 308.510 4.118 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)c1 ZINC000112709647 1055240109 /nfs/dbraw/zinc/24/01/09/1055240109.db2.gz PUCDMRBUFLFUMJ-UHFFFAOYSA-N 1 1 322.742 4.103 20 30 DIEDMO C=CCCCC[N@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798410 1055266677 /nfs/dbraw/zinc/26/66/77/1055266677.db2.gz LIGDAGUPLGSGIG-INIZCTEOSA-N 1 1 312.379 4.008 20 30 DIEDMO C=CCCCC[N@@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798410 1055266689 /nfs/dbraw/zinc/26/66/89/1055266689.db2.gz LIGDAGUPLGSGIG-INIZCTEOSA-N 1 1 312.379 4.008 20 30 DIEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1cccnc1Cl)C(C)C ZINC000764874556 1055280551 /nfs/dbraw/zinc/28/05/51/1055280551.db2.gz ILZKTUICQWWCIK-DOTOQJQBSA-N 1 1 321.896 4.084 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2sccc2nc1Cl ZINC001236864902 1055296524 /nfs/dbraw/zinc/29/65/24/1055296524.db2.gz SJLOPRMPZKEPFJ-UOJUARBOSA-N 1 1 317.845 4.216 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2sccc2nc1Cl ZINC001236864902 1055296536 /nfs/dbraw/zinc/29/65/36/1055296536.db2.gz SJLOPRMPZKEPFJ-UOJUARBOSA-N 1 1 317.845 4.216 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236913029 1055310900 /nfs/dbraw/zinc/31/09/00/1055310900.db2.gz YVBFQTUTUYMCPA-UHFFFAOYSA-N 1 1 303.837 4.314 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236906768 1055314163 /nfs/dbraw/zinc/31/41/63/1055314163.db2.gz HQFZGGOPNDYMEL-UHFFFAOYSA-N 1 1 316.836 4.041 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236906768 1055314180 /nfs/dbraw/zinc/31/41/80/1055314180.db2.gz HQFZGGOPNDYMEL-UHFFFAOYSA-N 1 1 316.836 4.041 20 30 DIEDMO Cc1cccc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cn2)c1C ZINC001236987513 1055326899 /nfs/dbraw/zinc/32/68/99/1055326899.db2.gz BYZUNSIQBZSINU-GOSISDBHSA-N 1 1 319.452 4.491 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)nc2)C1 ZINC001237018193 1055339669 /nfs/dbraw/zinc/33/96/69/1055339669.db2.gz RPKLKFYWMWQEKJ-OAHLLOKOSA-N 1 1 310.828 4.247 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OC(C)(C)C ZINC001237029903 1055346867 /nfs/dbraw/zinc/34/68/67/1055346867.db2.gz UHMRSYYKLOBQHJ-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO C=CCCC(C)(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001587776143 1055362891 /nfs/dbraw/zinc/36/28/91/1055362891.db2.gz FHQUNWVKWCUCBF-MRXNPFEDSA-N 1 1 322.880 4.051 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CCCC1 ZINC001237087802 1055367929 /nfs/dbraw/zinc/36/79/29/1055367929.db2.gz BHBDCPJUDOLWBK-UHFFFAOYSA-N 1 1 315.436 4.084 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(F)c(N2CCCC2)c1)C1CCCC1 ZINC001237087802 1055367943 /nfs/dbraw/zinc/36/79/43/1055367943.db2.gz BHBDCPJUDOLWBK-UHFFFAOYSA-N 1 1 315.436 4.084 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001237306845 1055424855 /nfs/dbraw/zinc/42/48/55/1055424855.db2.gz KLAIJVYIRFKYIZ-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CC[N@@H+](Cc1cnccc1Br)C1CCCCC1 ZINC001237390725 1055445810 /nfs/dbraw/zinc/44/58/10/1055445810.db2.gz WVQZHRMFXCIDGI-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO C=CC[N@H+](Cc1cnccc1Br)C1CCCCC1 ZINC001237390725 1055445816 /nfs/dbraw/zinc/44/58/16/1055445816.db2.gz WVQZHRMFXCIDGI-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO CCCCCCCCCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001537804574 1055446338 /nfs/dbraw/zinc/44/63/38/1055446338.db2.gz SMAYYZGSIUZEHF-IBGZPJMESA-N 1 1 316.489 4.430 20 30 DIEDMO CCCCCCCCCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001537804574 1055446342 /nfs/dbraw/zinc/44/63/42/1055446342.db2.gz SMAYYZGSIUZEHF-IBGZPJMESA-N 1 1 316.489 4.430 20 30 DIEDMO CCCCCCCCCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001537804577 1055446696 /nfs/dbraw/zinc/44/66/96/1055446696.db2.gz SMAYYZGSIUZEHF-LJQANCHMSA-N 1 1 316.489 4.430 20 30 DIEDMO CCCCCCCCCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001537804577 1055446701 /nfs/dbraw/zinc/44/67/01/1055446701.db2.gz SMAYYZGSIUZEHF-LJQANCHMSA-N 1 1 316.489 4.430 20 30 DIEDMO CCC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)Cc1ccccc1 ZINC001237468714 1055456342 /nfs/dbraw/zinc/45/63/42/1055456342.db2.gz OHOKFHXPJDQHLD-UHFFFAOYSA-N 1 1 317.436 4.462 20 30 DIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)c2cc(C#N)ccc21 ZINC001237470381 1055459552 /nfs/dbraw/zinc/45/95/52/1055459552.db2.gz IRPHQLHABAWASL-FQEVSTJZSA-N 1 1 315.420 4.387 20 30 DIEDMO C=CC[N@@H+](Cc1c(Cl)c2ccccc2[nH]c1=O)C(C)(C)C ZINC001237505958 1055463409 /nfs/dbraw/zinc/46/34/09/1055463409.db2.gz PFUVHUVTZIBZTL-UHFFFAOYSA-N 1 1 304.821 4.380 20 30 DIEDMO N#Cc1cc(C[NH+]2CCC(c3ccccc3)CC2)c(F)cc1F ZINC001237528500 1055467167 /nfs/dbraw/zinc/46/71/67/1055467167.db2.gz VBIXMIPDSIBUES-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cc(C#N)c(F)cc1F ZINC001237534964 1055470247 /nfs/dbraw/zinc/47/02/47/1055470247.db2.gz SLWVZGMRDCZHHG-UHFFFAOYSA-N 1 1 320.770 4.164 20 30 DIEDMO CC(C)(C)[N@@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1 ZINC001237604931 1055486077 /nfs/dbraw/zinc/48/60/77/1055486077.db2.gz SIIPTSLEGQCKEM-UHFFFAOYSA-N 1 1 318.424 4.007 20 30 DIEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1OC(C)C ZINC001237722232 1055516997 /nfs/dbraw/zinc/51/69/97/1055516997.db2.gz NEOFXNOCCBOYTR-UHFFFAOYSA-N 1 1 320.436 4.212 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001237752459 1055521970 /nfs/dbraw/zinc/52/19/70/1055521970.db2.gz WDSOJFWKZKXWDE-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO CCc1cc(Br)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001237751290 1055522134 /nfs/dbraw/zinc/52/21/34/1055522134.db2.gz YYXDRDYCOJDPGW-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001237751591 1055522248 /nfs/dbraw/zinc/52/22/48/1055522248.db2.gz MLEOELJUYNVUQX-MRXNPFEDSA-N 1 1 314.791 4.340 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(OC)c1Br)C(C)(C)C ZINC001237868262 1055543681 /nfs/dbraw/zinc/54/36/81/1055543681.db2.gz NDNDNCNMDSSTTL-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO C=CC[N@H+](Cc1cccc(OC)c1Br)C(C)(C)C ZINC001237868262 1055543691 /nfs/dbraw/zinc/54/36/91/1055543691.db2.gz NDNDNCNMDSSTTL-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)CC1 ZINC001237919017 1055557793 /nfs/dbraw/zinc/55/77/93/1055557793.db2.gz ARJHFHNJQDBKDS-SFHVURJKSA-N 1 1 320.436 4.391 20 30 DIEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237922214 1055560756 /nfs/dbraw/zinc/56/07/56/1055560756.db2.gz FIXVCGAJFSNDJJ-SFHVURJKSA-N 1 1 320.436 4.391 20 30 DIEDMO C=CC[N@@H+](Cc1csc(-c2ccc(O)cc2)n1)C(C)(C)C ZINC001237990662 1055577426 /nfs/dbraw/zinc/57/74/26/1055577426.db2.gz OBMFQQRPLNXOTE-UHFFFAOYSA-N 1 1 302.443 4.302 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001237989312 1055577563 /nfs/dbraw/zinc/57/75/63/1055577563.db2.gz SPAPLZHJQSKJCS-ZDUSSCGKSA-N 1 1 316.857 4.309 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC001237989312 1055577569 /nfs/dbraw/zinc/57/75/69/1055577569.db2.gz SPAPLZHJQSKJCS-ZDUSSCGKSA-N 1 1 316.857 4.309 20 30 DIEDMO Cc1ccc(-c2nc(C[NH+]3CCC(S)CC3)cs2)cc1 ZINC001238040819 1055590899 /nfs/dbraw/zinc/59/08/99/1055590899.db2.gz VMXPPUGSVAVAOF-UHFFFAOYSA-N 1 1 304.484 4.013 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001238085739 1055603418 /nfs/dbraw/zinc/60/34/18/1055603418.db2.gz KMSVTUPIDSZRTA-SFHVURJKSA-N 1 1 311.816 4.334 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(Cl)c1 ZINC001238085739 1055603420 /nfs/dbraw/zinc/60/34/20/1055603420.db2.gz KMSVTUPIDSZRTA-SFHVURJKSA-N 1 1 311.816 4.334 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(C)c(OC)c1C ZINC001238174671 1055614175 /nfs/dbraw/zinc/61/41/75/1055614175.db2.gz AUKXGLRQNKQJRA-UHFFFAOYSA-N 1 1 310.441 4.285 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)ccc1Cl ZINC001238193338 1055618329 /nfs/dbraw/zinc/61/83/29/1055618329.db2.gz BPWXOCCHYUWRBF-UHFFFAOYSA-N 1 1 306.812 4.316 20 30 DIEDMO C#CC[N@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCc2ccccc21 ZINC001238191232 1055618515 /nfs/dbraw/zinc/61/85/15/1055618515.db2.gz KKNMWMOBAXTESG-HXUWFJFHSA-N 1 1 320.823 4.334 20 30 DIEDMO C=CCC1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC001538464178 1055635136 /nfs/dbraw/zinc/63/51/36/1055635136.db2.gz HHVRUPGLUZTPEC-UHFFFAOYSA-N 1 1 313.445 4.147 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC001238407965 1055652764 /nfs/dbraw/zinc/65/27/64/1055652764.db2.gz WAKAIGBQSVGHDA-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414891 1055653407 /nfs/dbraw/zinc/65/34/07/1055653407.db2.gz YPDYSCNJWZRCRY-LJQANCHMSA-N 1 1 306.409 4.076 20 30 DIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000387493793 1055676202 /nfs/dbraw/zinc/67/62/02/1055676202.db2.gz JKZHBECYBAOUHP-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(-c3ccncc3)c2)CC1 ZINC001238558385 1055687325 /nfs/dbraw/zinc/68/73/25/1055687325.db2.gz MYIVTWUTLFFPFH-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001238624647 1055701227 /nfs/dbraw/zinc/70/12/27/1055701227.db2.gz JYQKOHHXRIOJRE-QGZVFWFLSA-N 1 1 305.425 4.183 20 30 DIEDMO Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001238626482 1055703034 /nfs/dbraw/zinc/70/30/34/1055703034.db2.gz UELDRYGJBMXYFF-QGZVFWFLSA-N 1 1 305.425 4.183 20 30 DIEDMO COc1cc(F)ccc1-c1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001238630497 1055704027 /nfs/dbraw/zinc/70/40/27/1055704027.db2.gz DVOJLXRREWFCCO-MRXNPFEDSA-N 1 1 324.399 4.237 20 30 DIEDMO COc1cc(F)ccc1-c1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001238630497 1055704039 /nfs/dbraw/zinc/70/40/39/1055704039.db2.gz DVOJLXRREWFCCO-MRXNPFEDSA-N 1 1 324.399 4.237 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3OC)c2)C1 ZINC001238637810 1055707291 /nfs/dbraw/zinc/70/72/91/1055707291.db2.gz UKTPOSQBJHRBOD-MRXNPFEDSA-N 1 1 323.411 4.347 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238653518 1055708981 /nfs/dbraw/zinc/70/89/81/1055708981.db2.gz LEZVEKRJYQHUDF-UHFFFAOYSA-N 1 1 323.440 4.273 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238653518 1055708994 /nfs/dbraw/zinc/70/89/94/1055708994.db2.gz LEZVEKRJYQHUDF-UHFFFAOYSA-N 1 1 323.440 4.273 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238664817 1055712454 /nfs/dbraw/zinc/71/24/54/1055712454.db2.gz ZLBXSJACZJVYEE-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238664817 1055712465 /nfs/dbraw/zinc/71/24/65/1055712465.db2.gz ZLBXSJACZJVYEE-OAHLLOKOSA-N 1 1 309.388 4.013 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238683334 1055719842 /nfs/dbraw/zinc/71/98/42/1055719842.db2.gz BHVBHHPFHRPCFB-OAHLLOKOSA-N 1 1 311.816 4.138 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238683334 1055719850 /nfs/dbraw/zinc/71/98/50/1055719850.db2.gz BHVBHHPFHRPCFB-OAHLLOKOSA-N 1 1 311.816 4.138 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(C)c1OC(C)C ZINC001238751653 1055739047 /nfs/dbraw/zinc/73/90/47/1055739047.db2.gz IUVFUTVSTXOEID-KRWDZBQOSA-N 1 1 300.446 4.216 20 30 DIEDMO CCc1cc(C[N@H+]2CCC[C@H]2c2ccc(OC)cc2)ccc1C#N ZINC001238776360 1055746394 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C=CC(C)(C)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC001540193185 1055987954 /nfs/dbraw/zinc/98/79/54/1055987954.db2.gz MBSRCSHICJZNDD-UHFFFAOYSA-N 1 1 316.489 4.249 20 30 DIEDMO C[C@H]1CC[C@H](Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1 ZINC001621341517 1056049500 /nfs/dbraw/zinc/04/95/00/1056049500.db2.gz QHBBWTYUOIXZPG-UWJYYQICSA-N 1 1 319.452 4.218 20 30 DIEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000765812472 1056154352 /nfs/dbraw/zinc/15/43/52/1056154352.db2.gz BCFUWWVMOWMJEQ-KSSFIOAISA-N 1 1 308.429 4.064 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132799 1056188280 /nfs/dbraw/zinc/18/82/80/1056188280.db2.gz FHTWSIZGOCTCNV-HOTGVXAUSA-N 1 1 306.475 4.035 20 30 DIEDMO N#Cc1ccc(Oc2ccc(Nc3ccc[nH+]c3N)cc2)cc1 ZINC001212406011 1056188882 /nfs/dbraw/zinc/18/88/82/1056188882.db2.gz RBIATBFMZXCXBH-UHFFFAOYSA-N 1 1 302.337 4.071 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nc2c(s1)CCCC2 ZINC000618802721 1056267470 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Cc1cc(CC#N)ccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240387043 1056468383 /nfs/dbraw/zinc/46/83/83/1056468383.db2.gz LESOQTJYJNXZCG-UHFFFAOYSA-N 1 1 302.421 4.350 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC001615163432 1056469217 /nfs/dbraw/zinc/46/92/17/1056469217.db2.gz BWCAJHRZPYHCLL-KRWDZBQOSA-N 1 1 304.437 4.401 20 30 DIEDMO COc1ccc(CC#N)cc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386831 1056469620 /nfs/dbraw/zinc/46/96/20/1056469620.db2.gz GHGGQAIDYLASMU-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO N#CCc1ccc(F)cc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388007 1056471197 /nfs/dbraw/zinc/47/11/97/1056471197.db2.gz YJPFRLDRMVKUQL-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO COc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccc1CC#N ZINC001240388674 1056472148 /nfs/dbraw/zinc/47/21/48/1056472148.db2.gz QOBRPESBGFKJHA-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc(Cl)c1 ZINC001615177405 1056472472 /nfs/dbraw/zinc/47/24/72/1056472472.db2.gz WYZMRYKRBDBISJ-UHFFFAOYSA-N 1 1 314.816 4.113 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168664921 1056476060 /nfs/dbraw/zinc/47/60/60/1056476060.db2.gz KXEHNQYNNUISHZ-HKUYNNGSSA-N 1 1 303.446 4.203 20 30 DIEDMO CC[N@@H+](C[Si](C)(C)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC001615230291 1056480033 /nfs/dbraw/zinc/48/00/33/1056480033.db2.gz VEUVPSANVDTGCU-QGZVFWFLSA-N 1 1 322.528 4.096 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H](C)c1cc2ccccc2o1 ZINC001615265504 1056484067 /nfs/dbraw/zinc/48/40/67/1056484067.db2.gz STWBIANASZZUOV-AWEZNQCLSA-N 1 1 305.381 4.283 20 30 DIEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC001615251528 1056485098 /nfs/dbraw/zinc/48/50/98/1056485098.db2.gz BBQNPXNAAGHZTD-OAQYLSRUSA-N 1 1 313.404 4.444 20 30 DIEDMO C#CC[N@@H+](C[C@H]1CCCC12CCOCC2)[C@H]1CCc2ccccc21 ZINC001615272070 1056485372 /nfs/dbraw/zinc/48/53/72/1056485372.db2.gz HVWBXFMBJVCMRX-CTNGQTDRSA-N 1 1 323.480 4.206 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OC)c(C)c1)[C@H]1CCc2ccccc21 ZINC001615272474 1056486444 /nfs/dbraw/zinc/48/64/44/1056486444.db2.gz OKOGVHSDPHFGHT-FQEVSTJZSA-N 1 1 305.421 4.126 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC001615319744 1056491534 /nfs/dbraw/zinc/49/15/34/1056491534.db2.gz WFCQMXCVEHPTPL-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CC[C@H](c1ccccc1)[N@@H+](CC)C[C@H](O)c1cccc(C#N)c1 ZINC001615337467 1056496008 /nfs/dbraw/zinc/49/60/08/1056496008.db2.gz LLQOLDFBVOOQIB-UXHICEINSA-N 1 1 308.425 4.065 20 30 DIEDMO CCC[C@H](C)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001615417364 1056508990 /nfs/dbraw/zinc/50/89/90/1056508990.db2.gz DPTLZGKBTJGOLY-SFHVURJKSA-N 1 1 313.489 4.287 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)CC1CCCCC1 ZINC001615504707 1056524335 /nfs/dbraw/zinc/52/43/35/1056524335.db2.gz GBBSQEAROCRENE-UHFFFAOYSA-N 1 1 301.430 4.180 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2csc(C#N)c2)c(OC(C)(C)C)c1 ZINC000921828460 1056525641 /nfs/dbraw/zinc/52/56/41/1056525641.db2.gz VZELFBPWCWDIQD-UHFFFAOYSA-N 1 1 314.454 4.395 20 30 DIEDMO 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Cc1cccc([C@@H]2CC[N@@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC001617147204 1056784288 /nfs/dbraw/zinc/78/42/88/1056784288.db2.gz PNCXQCHXRRKRLE-HXUWFJFHSA-N 1 1 320.436 4.125 20 30 DIEDMO C=CCCN(C[C@H]1CCCC[N@@H+]1C(C)C)OCc1ccccc1 ZINC001617331530 1056815487 /nfs/dbraw/zinc/81/54/87/1056815487.db2.gz JVCKHJBBMZACCD-HXUWFJFHSA-N 1 1 316.489 4.259 20 30 DIEDMO C=C(CC)C[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC001617538827 1056847261 /nfs/dbraw/zinc/84/72/61/1056847261.db2.gz MTOJUNOWRSBEIS-OAHLLOKOSA-N 1 1 303.446 4.271 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCCC1(C)C ZINC001617604155 1056856207 /nfs/dbraw/zinc/85/62/07/1056856207.db2.gz OPWIDVCUSDDIRW-INIZCTEOSA-N 1 1 306.381 4.301 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cocn1)c1ccc(C(F)(F)F)cc1 ZINC000428847046 1056881226 /nfs/dbraw/zinc/88/12/26/1056881226.db2.gz FEGCHLRMNGYTHP-OAHLLOKOSA-N 1 1 310.319 4.491 20 30 DIEDMO C=C(C)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001618083650 1056922528 /nfs/dbraw/zinc/92/25/28/1056922528.db2.gz 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N#Cc1csc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000093757195 1057041458 /nfs/dbraw/zinc/04/14/58/1057041458.db2.gz ZYBRTGAJOFFEKF-AWEZNQCLSA-N 1 1 314.479 4.234 20 30 DIEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000330991901 1057054271 /nfs/dbraw/zinc/05/42/71/1057054271.db2.gz ULXZMVHFOQWSQG-KRWDZBQOSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)c1ccc(C#N)c(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001241501465 1057070688 /nfs/dbraw/zinc/07/06/88/1057070688.db2.gz HHZVFTIPAOGNPQ-UHFFFAOYSA-N 1 1 317.436 4.366 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c2cc[nH]c21 ZINC001241506875 1057076466 /nfs/dbraw/zinc/07/64/66/1057076466.db2.gz MQHPYFSAIYCGMS-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)c(Cl)c1 ZINC000162882047 1057153476 /nfs/dbraw/zinc/15/34/76/1057153476.db2.gz YJZGTDYYZSQKFQ-UHFFFAOYSA-N 1 1 302.830 4.438 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)c(Cl)c1 ZINC000162882047 1057153481 /nfs/dbraw/zinc/15/34/81/1057153481.db2.gz 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ZINC000625701170 1057192740 /nfs/dbraw/zinc/19/27/40/1057192740.db2.gz HPOOEFHURHJINX-LBPRGKRZSA-N 1 1 304.340 4.018 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)c(CO)c2)cc1 ZINC001241932325 1057215897 /nfs/dbraw/zinc/21/58/97/1057215897.db2.gz OGMRBJHAVWCFAS-HXUWFJFHSA-N 1 1 323.436 4.177 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000674251598 1057222972 /nfs/dbraw/zinc/22/29/72/1057222972.db2.gz TWVQCBRSUGFOFE-OAHLLOKOSA-N 1 1 319.326 4.139 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(F)ccc2CO)cc1 ZINC001242343021 1057339789 /nfs/dbraw/zinc/33/97/89/1057339789.db2.gz MYUFFCQFPQLFDM-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(C)=O)nc2)cc1 ZINC001242403463 1057359367 /nfs/dbraw/zinc/35/93/67/1057359367.db2.gz QEMWWCKSMAPGHL-HXUWFJFHSA-N 1 1 306.409 4.274 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)ncc2OC)cc1 ZINC001242429913 1057365163 /nfs/dbraw/zinc/36/51/63/1057365163.db2.gz XXXBQSAZTZUTOQ-GOSISDBHSA-N 1 1 324.424 4.089 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246338375 1057365910 /nfs/dbraw/zinc/36/59/10/1057365910.db2.gz FAAJPJOLYVOKGC-HBUWYVDXSA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246338375 1057365917 /nfs/dbraw/zinc/36/59/17/1057365917.db2.gz FAAJPJOLYVOKGC-HBUWYVDXSA-N 1 1 312.438 4.143 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)c(F)c2)cc1 ZINC001242533161 1057395775 /nfs/dbraw/zinc/39/57/75/1057395775.db2.gz AYEROKQCBKEXGW-HXUWFJFHSA-N 1 1 311.400 4.308 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3cc(C#N)ccc3C)c(C)c2)CC1 ZINC001242541191 1057398459 /nfs/dbraw/zinc/39/84/59/1057398459.db2.gz XSKRNXPOLUGSJE-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(F)cc3C#N)c(C)c2)CC1 ZINC001242581244 1057414091 /nfs/dbraw/zinc/41/40/91/1057414091.db2.gz ZKYPLYDNARCNII-UHFFFAOYSA-N 1 1 321.399 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)ccc2C)cc1 ZINC001242670745 1057442262 /nfs/dbraw/zinc/44/22/62/1057442262.db2.gz RURKGZNCYWBBKA-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000625769428 1057513401 /nfs/dbraw/zinc/51/34/01/1057513401.db2.gz PRAZFXLSKZQPJK-UHFFFAOYSA-N 1 1 317.301 4.178 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOc2ccccc21 ZINC000611254807 1057587414 /nfs/dbraw/zinc/58/74/14/1057587414.db2.gz UBZXIYCRYCPGPY-IBGZPJMESA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000611387486 1057594716 /nfs/dbraw/zinc/59/47/16/1057594716.db2.gz PAUQMXPNUIJNIS-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393177 1057595461 /nfs/dbraw/zinc/59/54/61/1057595461.db2.gz MVIYKZAHNOFHKS-MOPGFXCFSA-N 1 1 324.424 4.068 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccccc2OCC#N)nc1 ZINC001243585960 1057724930 /nfs/dbraw/zinc/72/49/30/1057724930.db2.gz QTJOLNIQXVSHTN-LJQANCHMSA-N 1 1 321.424 4.198 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCc2ccccc21 ZINC000731210540 1057737236 /nfs/dbraw/zinc/73/72/36/1057737236.db2.gz QIVIBJGZZARXLF-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731210606 1057737262 /nfs/dbraw/zinc/73/72/62/1057737262.db2.gz VKNFTWFBPQHVPW-KRWDZBQOSA-N 1 1 308.425 4.390 20 30 DIEDMO Cc1ccc(C2=CC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)cc1 ZINC000731210383 1057737627 /nfs/dbraw/zinc/73/76/27/1057737627.db2.gz JFEFGTVXXAHOGQ-UHFFFAOYSA-N 1 1 318.420 4.187 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1 ZINC000731212791 1057737850 /nfs/dbraw/zinc/73/78/50/1057737850.db2.gz LICUBQCAOCPINJ-HXUWFJFHSA-N 1 1 320.436 4.044 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211351 1057737915 /nfs/dbraw/zinc/73/79/15/1057737915.db2.gz HNECOZTYEYKMPI-QGZVFWFLSA-N 1 1 320.436 4.390 20 30 DIEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000731212822 1057738031 /nfs/dbraw/zinc/73/80/31/1057738031.db2.gz UKOSNIFZCIFQSS-HXUWFJFHSA-N 1 1 320.436 4.359 20 30 DIEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211563 1057738276 /nfs/dbraw/zinc/73/82/76/1057738276.db2.gz ODVXNHGWOLEREW-AWEZNQCLSA-N 1 1 314.816 4.435 20 30 DIEDMO C#CC[N@H+](Cc1ncc(-c2cccs2)o1)C1CCCCC1 ZINC000731479896 1057745466 /nfs/dbraw/zinc/74/54/66/1057745466.db2.gz AVPMTMUBROAEMQ-UHFFFAOYSA-N 1 1 300.427 4.171 20 30 DIEDMO C#CC[N@@H+](Cc1ncc(-c2cccs2)o1)C1CCCCC1 ZINC000731479896 1057745470 /nfs/dbraw/zinc/74/54/70/1057745470.db2.gz AVPMTMUBROAEMQ-UHFFFAOYSA-N 1 1 300.427 4.171 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(F)cc(CO)c2)cc1 ZINC001243695785 1057755806 /nfs/dbraw/zinc/75/58/06/1057755806.db2.gz AJWAYSRZJWAAQT-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO C=CC1CC[NH+](Cn2c(=S)snc2-c2ccccc2)CC1 ZINC000732181357 1057769868 /nfs/dbraw/zinc/76/98/68/1057769868.db2.gz QYEVXJPKDXDVGR-UHFFFAOYSA-N 1 1 317.483 4.197 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000733313562 1057811564 /nfs/dbraw/zinc/81/15/64/1057811564.db2.gz WVSRISRNAGBEJU-NRFANRHFSA-N 1 1 320.436 4.143 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(OC)c(C#N)c2)nc1 ZINC001244708565 1058032715 /nfs/dbraw/zinc/03/27/15/1058032715.db2.gz WVHJMFPAWJORTD-IBGZPJMESA-N 1 1 321.424 4.176 20 30 DIEDMO CCc1cc(-c2c[nH+]c(N3CCCCC3)cc2C)ccc1C#N ZINC001244952866 1058079746 /nfs/dbraw/zinc/07/97/46/1058079746.db2.gz QYQGGTJPQWDNHQ-UHFFFAOYSA-N 1 1 305.425 4.481 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069434 1058106377 /nfs/dbraw/zinc/10/63/77/1058106377.db2.gz RABIWFNCNYZKFM-GOSISDBHSA-N 1 1 309.388 4.306 20 30 DIEDMO C=C(C)CCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001516575877 1058181758 /nfs/dbraw/zinc/18/17/58/1058181758.db2.gz HNRYGSMEAWKRCR-INIZCTEOSA-N 1 1 300.446 4.356 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(N)c(OC)c2)cc1 ZINC001245505975 1058189006 /nfs/dbraw/zinc/18/90/06/1058189006.db2.gz PJHDQAALPJZVOK-IBGZPJMESA-N 1 1 308.425 4.267 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001545434675 1058201416 /nfs/dbraw/zinc/20/14/16/1058201416.db2.gz JRTMBFRMHNREOY-OTWHNJEPSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCC[NH2+][C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246250675 1058766913 /nfs/dbraw/zinc/76/69/13/1058766913.db2.gz XOHNWLBBLHKGQG-PMACEKPBSA-N 1 1 302.506 4.300 20 30 DIEDMO CC[C@@H]1C[C@@H](N[C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300424 1058810971 /nfs/dbraw/zinc/81/09/71/1058810971.db2.gz NUFOTBOOGCPGHP-IYWMVGAKSA-N 1 1 313.489 4.154 20 30 DIEDMO CC(C)[C@@H](N[C@@H]1CC[NH2+][C@H](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC001246301578 1058811624 /nfs/dbraw/zinc/81/16/24/1058811624.db2.gz TVPUUHIUNYYATH-CEXWTWQISA-N 1 1 313.489 4.012 20 30 DIEDMO CC[C@H]1CC(N[C@@H](c2cccc(C#N)c2)C(C)C)C[C@H](CC)[NH2+]1 ZINC001246300420 1058813092 /nfs/dbraw/zinc/81/30/92/1058813092.db2.gz NUFOTBOOGCPGHP-CMKODMSKSA-N 1 1 313.489 4.154 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001558713131 1058903216 /nfs/dbraw/zinc/90/32/16/1058903216.db2.gz CCVBPMAJCWWJDI-FQEVSTJZSA-N 1 1 320.436 4.323 20 30 DIEDMO C=C[C@@H]([NH2+][C@@H]1CCN[C@H](c2ccc(F)cc2C)C1)c1ccccc1 ZINC001246485920 1058963562 /nfs/dbraw/zinc/96/35/62/1058963562.db2.gz BSUZRYPUCNPNIJ-NRSPTQNISA-N 1 1 324.443 4.444 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246638296 1059042201 /nfs/dbraw/zinc/04/22/01/1059042201.db2.gz LKBALMSYAVDMBX-SJORKVTESA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246638296 1059042221 /nfs/dbraw/zinc/04/22/21/1059042221.db2.gz LKBALMSYAVDMBX-SJORKVTESA-N 1 1 316.480 4.446 20 30 DIEDMO C[NH2+]CC[C@H](C)N(Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001246888038 1059155058 /nfs/dbraw/zinc/15/50/58/1059155058.db2.gz QIRSZTLCXJZBJE-ROUUACIJSA-N 1 1 321.468 4.119 20 30 DIEDMO CCCCCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC001530893366 1059178384 /nfs/dbraw/zinc/17/83/84/1059178384.db2.gz XRUNSTYHUDQKMT-KURKYZTESA-N 1 1 310.526 4.457 20 30 DIEDMO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246951137 1059194054 /nfs/dbraw/zinc/19/40/54/1059194054.db2.gz XYPMNWGZMRYSLO-FPOVZHCZSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](Cc2ccccc2)C1 ZINC001246951137 1059194063 /nfs/dbraw/zinc/19/40/63/1059194063.db2.gz XYPMNWGZMRYSLO-FPOVZHCZSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493018 1059269597 /nfs/dbraw/zinc/26/95/97/1059269597.db2.gz MOLLOIYKKQHUSO-FXAWDEMLSA-N 1 1 317.473 4.279 20 30 DIEDMO C=CC[N@H+](CCO[C@H]1CCCC[C@H]1C)Cc1ccc(OC)cc1 ZINC001559493020 1059269983 /nfs/dbraw/zinc/26/99/83/1059269983.db2.gz MOLLOIYKKQHUSO-XLIONFOSSA-N 1 1 317.473 4.279 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1OC)CC1CCCCC1 ZINC001559496325 1059274626 /nfs/dbraw/zinc/27/46/26/1059274626.db2.gz KGFNHRYMXXHALK-UHFFFAOYSA-N 1 1 300.446 4.359 20 30 DIEDMO C#CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H]1CCc2ccccc21 ZINC001559499594 1059283679 /nfs/dbraw/zinc/28/36/79/1059283679.db2.gz YICBTXGCEBGCJJ-VGOFRKELSA-N 1 1 319.448 4.421 20 30 DIEDMO C=CCCCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC001559500416 1059284910 /nfs/dbraw/zinc/28/49/10/1059284910.db2.gz ZKQHCTGRFRQYPN-LJQANCHMSA-N 1 1 303.446 4.033 20 30 DIEDMO CC(C)N(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001559507812 1059295750 /nfs/dbraw/zinc/29/57/50/1059295750.db2.gz YGSOVRMPFKZCIZ-FQEVSTJZSA-N 1 1 313.489 4.032 20 30 DIEDMO CC(C)N1CCCC[C@H]1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507812 1059295772 /nfs/dbraw/zinc/29/57/72/1059295772.db2.gz YGSOVRMPFKZCIZ-FQEVSTJZSA-N 1 1 313.489 4.032 20 30 DIEDMO CC(C)N1CCCC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001559507812 1059295789 /nfs/dbraw/zinc/29/57/89/1059295789.db2.gz YGSOVRMPFKZCIZ-FQEVSTJZSA-N 1 1 313.489 4.032 20 30 DIEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001559512339 1059307567 /nfs/dbraw/zinc/30/75/67/1059307567.db2.gz PRBHXUOBCLFLOI-LJQANCHMSA-N 1 1 320.436 4.125 20 30 DIEDMO CC#CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccccc1OC ZINC001559516921 1059309786 /nfs/dbraw/zinc/30/97/86/1059309786.db2.gz GFJFCONYEXREMR-GOSISDBHSA-N 1 1 307.437 4.152 20 30 DIEDMO C#CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CCCCC1 ZINC001559514320 1059312519 /nfs/dbraw/zinc/31/25/19/1059312519.db2.gz YZQWRRVJTBGDTR-UHFFFAOYSA-N 1 1 311.347 4.179 20 30 DIEDMO CCC#C[C@H](C)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001559556160 1059370899 /nfs/dbraw/zinc/37/08/99/1059370899.db2.gz UCEMLYXGIQKXKR-AWEZNQCLSA-N 1 1 320.274 4.214 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC001531541243 1059350039 /nfs/dbraw/zinc/35/00/39/1059350039.db2.gz XVQVERBSQMZVPY-MSOLQXFVSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC001531541244 1059351071 /nfs/dbraw/zinc/35/10/71/1059351071.db2.gz XVQVERBSQMZVPY-QZTJIDSGSA-N 1 1 310.526 4.316 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001559553549 1059366455 /nfs/dbraw/zinc/36/64/55/1059366455.db2.gz GGAJUBBGXUDXSW-UHFFFAOYSA-N 1 1 308.853 4.499 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001559553549 1059366477 /nfs/dbraw/zinc/36/64/77/1059366477.db2.gz GGAJUBBGXUDXSW-UHFFFAOYSA-N 1 1 308.853 4.499 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC001559554149 1059369201 /nfs/dbraw/zinc/36/92/01/1059369201.db2.gz VDVKYSOMLXMCPE-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(Cl)c(F)c1 ZINC001559554149 1059369224 /nfs/dbraw/zinc/36/92/24/1059369224.db2.gz VDVKYSOMLXMCPE-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO C[C@H]([N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1)C1(C)CC1 ZINC001559588494 1059422620 /nfs/dbraw/zinc/42/26/20/1059422620.db2.gz BYHFNSOLSRIJAQ-ZDUSSCGKSA-N 1 1 311.347 4.057 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597196 1059432463 /nfs/dbraw/zinc/43/24/63/1059432463.db2.gz CNWICDQUTYWXCP-IRXDYDNUSA-N 1 1 304.478 4.130 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC001559658181 1059485216 /nfs/dbraw/zinc/48/52/16/1059485216.db2.gz CGHMOYVAINMQGV-CABCVRRESA-N 1 1 308.400 4.400 20 30 DIEDMO C#CCCCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001559654922 1059485567 /nfs/dbraw/zinc/48/55/67/1059485567.db2.gz PTEFWWDPLHQEBR-PMACEKPBSA-N 1 1 312.501 4.165 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC001559674999 1059500731 /nfs/dbraw/zinc/50/07/31/1059500731.db2.gz YLROZVXCFBTBNY-LJQANCHMSA-N 1 1 317.473 4.030 20 30 DIEDMO CCCCCCCCC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC001559713163 1059537933 /nfs/dbraw/zinc/53/79/33/1059537933.db2.gz INZQQABRVVEMKF-UHFFFAOYSA-N 1 1 308.510 4.070 20 30 DIEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(-c3ccc(C)cc3)cc2)no1 ZINC001247621663 1059573319 /nfs/dbraw/zinc/57/33/19/1059573319.db2.gz UTRPYVCHWTWWBX-YLJYHZDGSA-N 1 1 317.392 4.072 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247622717 1059573393 /nfs/dbraw/zinc/57/33/93/1059573393.db2.gz QXBKUCMALYATFR-LBPRGKRZSA-N 1 1 303.749 4.102 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Oc3ccccc3)cc2)no1 ZINC001247622007 1059573848 /nfs/dbraw/zinc/57/38/48/1059573848.db2.gz CQAWHZCSYVMDGA-QGZVFWFLSA-N 1 1 321.380 4.495 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001247622097 1059575105 /nfs/dbraw/zinc/57/51/05/1059575105.db2.gz FVSFGVXTBOIOQH-VIFPVBQESA-N 1 1 316.163 4.149 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001247623076 1059575247 /nfs/dbraw/zinc/57/52/47/1059575247.db2.gz WYGJGORXTYVEOT-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO CCc1ccc([C@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)CCO2)cc1 ZINC001559750436 1059581335 /nfs/dbraw/zinc/58/13/35/1059581335.db2.gz MLCKBNXUTKRXSV-OAQYLSRUSA-N 1 1 320.436 4.003 20 30 DIEDMO CCc1ccc([C@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)CCO2)cc1 ZINC001559750436 1059581349 /nfs/dbraw/zinc/58/13/49/1059581349.db2.gz MLCKBNXUTKRXSV-OAQYLSRUSA-N 1 1 320.436 4.003 20 30 DIEDMO C=CCC[N@@H+](C)CCCCOc1ccc(Br)cc1 ZINC001559757281 1059590651 /nfs/dbraw/zinc/59/06/51/1059590651.db2.gz XYYQQZNBICXSCN-UHFFFAOYSA-N 1 1 312.251 4.116 20 30 DIEDMO C=C(C)[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767119 1059602824 /nfs/dbraw/zinc/60/28/24/1059602824.db2.gz STEQCBZDVBWBOS-ZRGWGRIASA-N 1 1 322.443 4.150 20 30 DIEDMO C=C(C)[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767119 1059602832 /nfs/dbraw/zinc/60/28/32/1059602832.db2.gz STEQCBZDVBWBOS-ZRGWGRIASA-N 1 1 322.443 4.150 20 30 DIEDMO C=CC[N@H+](C)Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC001559769952 1059607805 /nfs/dbraw/zinc/60/78/05/1059607805.db2.gz WBMRZZNRQFKJHN-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cnc(OC)c(Cl)c2)CCCC1(C)C ZINC001559797626 1059631562 /nfs/dbraw/zinc/63/15/62/1059631562.db2.gz VCRGNDPQTPKGRJ-OAHLLOKOSA-N 1 1 308.853 4.310 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cc(C(F)(F)F)nn2C)CCCC1(C)C ZINC001559797280 1059632653 /nfs/dbraw/zinc/63/26/53/1059632653.db2.gz LYHJDQVIDPMGTC-CQSZACIVSA-N 1 1 315.383 4.006 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(F)(F)F)nn2C)CCCC1(C)C ZINC001559797280 1059632669 /nfs/dbraw/zinc/63/26/69/1059632669.db2.gz LYHJDQVIDPMGTC-CQSZACIVSA-N 1 1 315.383 4.006 20 30 DIEDMO C=CC[C@H]1[N@H+](CCC(=O)Nc2cccc(F)c2)CCCC1(C)C ZINC001559796989 1059632979 /nfs/dbraw/zinc/63/29/79/1059632979.db2.gz CRSYRMDEURMCHL-QGZVFWFLSA-N 1 1 318.436 4.221 20 30 DIEDMO C=CC[C@H]1[N@@H+](CCN(C)Cc2ccccc2)CCCC1(C)C ZINC001559797364 1059633206 /nfs/dbraw/zinc/63/32/06/1059633206.db2.gz OFQVEXICCMTDQP-LJQANCHMSA-N 1 1 300.490 4.185 20 30 DIEDMO C=C(C)C[N@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1 ZINC001559807667 1059642384 /nfs/dbraw/zinc/64/23/84/1059642384.db2.gz MIKZCWLKLDMDEB-UHFFFAOYSA-N 1 1 322.452 4.320 20 30 DIEDMO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)ccc1C)Cc1ccccc1 ZINC001559807667 1059642400 /nfs/dbraw/zinc/64/24/00/1059642400.db2.gz MIKZCWLKLDMDEB-UHFFFAOYSA-N 1 1 322.452 4.320 20 30 DIEDMO CCC[N@H+](CCN1CCCCC1)CCC1(C#N)CCCCC1 ZINC001559827422 1059662578 /nfs/dbraw/zinc/66/25/78/1059662578.db2.gz MOTUUESYZQIIEU-UHFFFAOYSA-N 1 1 305.510 4.048 20 30 DIEDMO CCC[N@@H+](CCN1CCCCC1)CCC1(C#N)CCCCC1 ZINC001559827422 1059662586 /nfs/dbraw/zinc/66/25/86/1059662586.db2.gz MOTUUESYZQIIEU-UHFFFAOYSA-N 1 1 305.510 4.048 20 30 DIEDMO C#CCCCCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001559858144 1059679758 /nfs/dbraw/zinc/67/97/58/1059679758.db2.gz KPMDHFCGDCMHJL-GOSISDBHSA-N 1 1 305.849 4.297 20 30 DIEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1Cc1ccccc1Cl ZINC001559869757 1059689167 /nfs/dbraw/zinc/68/91/67/1059689167.db2.gz DCWZKCIATSUAHV-KRWDZBQOSA-N 1 1 307.865 4.330 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC001559879780 1059700212 /nfs/dbraw/zinc/70/02/12/1059700212.db2.gz QOPWOMYVFPOKCY-WMLDXEAASA-N 1 1 300.446 4.213 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)C1 ZINC001559946756 1059760570 /nfs/dbraw/zinc/76/05/70/1059760570.db2.gz CAUFISFWQGLXCG-CQSZACIVSA-N 1 1 316.514 4.238 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)C1 ZINC001559946756 1059760587 /nfs/dbraw/zinc/76/05/87/1059760587.db2.gz CAUFISFWQGLXCG-CQSZACIVSA-N 1 1 316.514 4.238 20 30 DIEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1CCCSCC#N ZINC001559964356 1059773802 /nfs/dbraw/zinc/77/38/02/1059773802.db2.gz SGXUUWVTRBSWCB-KRWDZBQOSA-N 1 1 322.905 4.384 20 30 DIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cc1OC ZINC001559997169 1059801787 /nfs/dbraw/zinc/80/17/87/1059801787.db2.gz PHXXAONWDPLOSP-CQSZACIVSA-N 1 1 310.235 4.171 20 30 DIEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC001560000986 1059805239 /nfs/dbraw/zinc/80/52/39/1059805239.db2.gz SAYUMJHWUJCUGS-IIBYNOLFSA-N 1 1 320.436 4.291 20 30 DIEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001560003948 1059811395 /nfs/dbraw/zinc/81/13/95/1059811395.db2.gz MYVUXJJNFSMSGX-CHWSQXEVSA-N 1 1 321.262 4.331 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)s1 ZINC001560022685 1059833462 /nfs/dbraw/zinc/83/34/62/1059833462.db2.gz CCYJQNFCUQOIJH-ZDUSSCGKSA-N 1 1 318.392 4.278 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)nc2)C1 ZINC001560026797 1059842204 /nfs/dbraw/zinc/84/22/04/1059842204.db2.gz HANZKEABRVGGBA-QGZVFWFLSA-N 1 1 308.425 4.059 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001560045206 1059862064 /nfs/dbraw/zinc/86/20/64/1059862064.db2.gz AYWNEMBKEKRYJL-SFHVURJKSA-N 1 1 303.446 4.119 20 30 DIEDMO CCCCCCCC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001560045205 1059864835 /nfs/dbraw/zinc/86/48/35/1059864835.db2.gz AYWNEMBKEKRYJL-GOSISDBHSA-N 1 1 303.446 4.119 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@@H]1CCC[C@H]1C#N ZINC001560060580 1059873705 /nfs/dbraw/zinc/87/37/05/1059873705.db2.gz QMECYVOYXBIOSP-QFBILLFUSA-N 1 1 314.473 4.377 20 30 DIEDMO C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001560064009 1059876278 /nfs/dbraw/zinc/87/62/78/1059876278.db2.gz RCSPJDQGQOVWJS-AZUAARDMSA-N 1 1 320.436 4.390 20 30 DIEDMO Cc1cccc(C)c1OCCC[N@H+](C)CCc1cccc(C#N)c1 ZINC001560084366 1059897283 /nfs/dbraw/zinc/89/72/83/1059897283.db2.gz 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C=C(C)C[C@@H]([NH2+]C1CCC(C(C)(C)CC)CC1)C(=O)OCC ZINC001560986914 1060851669 /nfs/dbraw/zinc/85/16/69/1060851669.db2.gz NCDFMCHTIHOLLJ-OFLPRAFFSA-N 1 1 309.494 4.469 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C(C)C ZINC001561032693 1060887295 /nfs/dbraw/zinc/88/72/95/1060887295.db2.gz NDVDBCUSKRIQAK-UHFFFAOYSA-N 1 1 312.482 4.228 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC001473195126 1060954416 /nfs/dbraw/zinc/95/44/16/1060954416.db2.gz RYWUFCMXKWPUFK-KDOFPFPSSA-N 1 1 324.424 4.442 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC001462160202 1060980966 /nfs/dbraw/zinc/98/09/66/1060980966.db2.gz CCMFWWFXKUNULC-INIZCTEOSA-N 1 1 302.418 4.490 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(F)cc2)n1 ZINC001462160202 1060980987 /nfs/dbraw/zinc/98/09/87/1060980987.db2.gz CCMFWWFXKUNULC-INIZCTEOSA-N 1 1 302.418 4.490 20 30 DIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473215644 1060986536 /nfs/dbraw/zinc/98/65/36/1060986536.db2.gz KXWYPAHOFPBCHK-MAUKXSAKSA-N 1 1 308.400 4.150 20 30 DIEDMO COCC#CC[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC001473220846 1060998923 /nfs/dbraw/zinc/99/89/23/1060998923.db2.gz NRMLCJLGJSNKOY-UHFFFAOYSA-N 1 1 324.251 4.122 20 30 DIEDMO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234994 1061012426 /nfs/dbraw/zinc/01/24/26/1061012426.db2.gz ZXDDPASZKAQRHG-GDBMZVCRSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H]1c1c(C)nn(CC(C)C)c1Cl ZINC001473234994 1061012446 /nfs/dbraw/zinc/01/24/46/1061012446.db2.gz ZXDDPASZKAQRHG-GDBMZVCRSA-N 1 1 321.896 4.440 20 30 DIEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001473238094 1061015678 /nfs/dbraw/zinc/01/56/78/1061015678.db2.gz WGWQBBRMYUCLCV-IRXDYDNUSA-N 1 1 320.864 4.237 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1(C)C ZINC001473260046 1061033331 /nfs/dbraw/zinc/03/33/31/1061033331.db2.gz PRPYIWGAZUACPU-OALUTQOASA-N 1 1 317.448 4.093 20 30 DIEDMO C#C[C@H]([NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1F ZINC001462224278 1061038408 /nfs/dbraw/zinc/03/84/08/1061038408.db2.gz JJENTYMMDMUDJI-GVDBMIGSSA-N 1 1 323.839 4.335 20 30 DIEDMO C#C[C@H]([NH2+][C@H]1C[C@H](OC(C)C)C1(C)C)c1ccc(Cl)cc1F ZINC001462224281 1061038869 /nfs/dbraw/zinc/03/88/69/1061038869.db2.gz JJENTYMMDMUDJI-ULQDDVLXSA-N 1 1 323.839 4.335 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC001473291933 1061062541 /nfs/dbraw/zinc/06/25/41/1061062541.db2.gz SIQCQXQIQAZFTE-LJQANCHMSA-N 1 1 315.432 4.447 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306727 1061070245 /nfs/dbraw/zinc/07/02/45/1061070245.db2.gz WVRDUPUGMFDNHV-KKSFZXQISA-N 1 1 320.436 4.192 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccc(Cl)cc2)C2CC2)cc1 ZINC001473304752 1061073445 /nfs/dbraw/zinc/07/34/45/1061073445.db2.gz RRDRXEHBSYXGOX-UHFFFAOYSA-N 1 1 310.828 4.419 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](COCc1ccccc1)c1ccccc1 ZINC001473323636 1061086199 /nfs/dbraw/zinc/08/61/99/1061086199.db2.gz JAHRMIIJMJAMJE-GOSISDBHSA-N 1 1 301.817 4.287 20 30 DIEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Cl)c(F)c1 ZINC001473349554 1061106694 /nfs/dbraw/zinc/10/66/94/1061106694.db2.gz FYBLTNBGQLSQQM-UHFFFAOYSA-N 1 1 305.755 4.102 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(Cl)c(F)c1 ZINC001473349554 1061106705 /nfs/dbraw/zinc/10/67/05/1061106705.db2.gz FYBLTNBGQLSQQM-UHFFFAOYSA-N 1 1 305.755 4.102 20 30 DIEDMO N#Cc1ccccc1OCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001473354798 1061109846 /nfs/dbraw/zinc/10/98/46/1061109846.db2.gz MNBYTIDHEJPKDI-LJQANCHMSA-N 1 1 306.409 4.164 20 30 DIEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374544 1061118299 /nfs/dbraw/zinc/11/82/99/1061118299.db2.gz KUYRFHGPMBDMKC-MFKMUULPSA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374544 1061118304 /nfs/dbraw/zinc/11/83/04/1061118304.db2.gz KUYRFHGPMBDMKC-MFKMUULPSA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374546 1061118444 /nfs/dbraw/zinc/11/84/44/1061118444.db2.gz KUYRFHGPMBDMKC-ZWNOBZJWSA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473374546 1061118454 /nfs/dbraw/zinc/11/84/54/1061118454.db2.gz KUYRFHGPMBDMKC-ZWNOBZJWSA-N 1 1 316.754 4.374 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1Cl ZINC001462352656 1061124169 /nfs/dbraw/zinc/12/41/69/1061124169.db2.gz HEJHWFSCCNCXRR-UHFFFAOYSA-N 1 1 314.816 4.161 20 30 DIEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C ZINC001473382898 1061125362 /nfs/dbraw/zinc/12/53/62/1061125362.db2.gz DGBSHOQXQUVNBT-APWZRJJASA-N 1 1 300.446 4.228 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473422147 1061150784 /nfs/dbraw/zinc/15/07/84/1061150784.db2.gz MHGRAWUUMMOXSS-HNNXBMFYSA-N 1 1 322.399 4.418 20 30 DIEDMO C=C(Cl)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC001473422111 1061150962 /nfs/dbraw/zinc/15/09/62/1061150962.db2.gz LSWGKGQZOIPUFE-UHFFFAOYSA-N 1 1 314.654 4.381 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001473444824 1061163142 /nfs/dbraw/zinc/16/31/42/1061163142.db2.gz OWSMNXVYKXTSNN-INIZCTEOSA-N 1 1 308.441 4.424 20 30 DIEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C2 ZINC001462437555 1061172031 /nfs/dbraw/zinc/17/20/31/1061172031.db2.gz ACKYFVYBONOTQC-UHFFFAOYSA-N 1 1 320.436 4.055 20 30 DIEDMO Fc1ccccc1[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001473497557 1061193853 /nfs/dbraw/zinc/19/38/53/1061193853.db2.gz DGYSOJRCMIWIPR-INIZCTEOSA-N 1 1 313.803 4.320 20 30 DIEDMO CCC[N@H+](CCN1CCCCCC1)[C@H](C)c1cccc(C#N)c1 ZINC001473515694 1061207455 /nfs/dbraw/zinc/20/74/55/1061207455.db2.gz SLIOFRWOLGVXQR-GOSISDBHSA-N 1 1 313.489 4.207 20 30 DIEDMO CCC[N@@H+](CCN1CCCCCC1)[C@H](C)c1cccc(C#N)c1 ZINC001473515694 1061207478 /nfs/dbraw/zinc/20/74/78/1061207478.db2.gz SLIOFRWOLGVXQR-GOSISDBHSA-N 1 1 313.489 4.207 20 30 DIEDMO CCCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001473524665 1061223196 /nfs/dbraw/zinc/22/31/96/1061223196.db2.gz VFQGXVIWGOTFRS-LBPRGKRZSA-N 1 1 309.251 4.331 20 30 DIEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001473539714 1061231252 /nfs/dbraw/zinc/23/12/52/1061231252.db2.gz UQZKKDZGLQBYMM-LEWJYISDSA-N 1 1 304.437 4.369 20 30 DIEDMO FC(F)(F)C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473564830 1061254243 /nfs/dbraw/zinc/25/42/43/1061254243.db2.gz NDNXHQSWMPONCH-CQSZACIVSA-N 1 1 315.766 4.356 20 30 DIEDMO FC(F)(F)C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473564830 1061254264 /nfs/dbraw/zinc/25/42/64/1061254264.db2.gz NDNXHQSWMPONCH-CQSZACIVSA-N 1 1 315.766 4.356 20 30 DIEDMO CC[N@@H+](CCc1ccc(C(F)(F)F)cc1)CC1(CC#N)CC1 ZINC001473573482 1061262598 /nfs/dbraw/zinc/26/25/98/1061262598.db2.gz LXXANNZMUDNQCD-UHFFFAOYSA-N 1 1 310.363 4.264 20 30 DIEDMO C=CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001473585789 1061269418 /nfs/dbraw/zinc/26/94/18/1061269418.db2.gz JLNIYROURGHMDU-BPQIPLTHSA-N 1 1 315.457 4.008 20 30 DIEDMO Cc1cc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576733 1061274147 /nfs/dbraw/zinc/27/41/47/1061274147.db2.gz FWJJBCGDIVKMDI-INIZCTEOSA-N 1 1 312.363 4.134 20 30 DIEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC001473615454 1061292884 /nfs/dbraw/zinc/29/28/84/1061292884.db2.gz BUCOUIUQQDUYEM-HXUWFJFHSA-N 1 1 308.400 4.055 20 30 DIEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC001473627591 1061298674 /nfs/dbraw/zinc/29/86/74/1061298674.db2.gz YIVPDRAFEZVPCU-MRXNPFEDSA-N 1 1 311.347 4.006 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001473627491 1061301220 /nfs/dbraw/zinc/30/12/20/1061301220.db2.gz LIAFKJYZQRDYRS-INIZCTEOSA-N 1 1 315.457 4.430 20 30 DIEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001473634107 1061304367 /nfs/dbraw/zinc/30/43/67/1061304367.db2.gz CTSLGXGDGJGINN-FQEVSTJZSA-N 1 1 320.436 4.391 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CCc2ccccc21 ZINC001473635799 1061308614 /nfs/dbraw/zinc/30/86/14/1061308614.db2.gz VGQJHUYHJGPYHC-UHFFFAOYSA-N 1 1 308.400 4.033 20 30 DIEDMO C#Cc1ccc(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001462647054 1061314094 /nfs/dbraw/zinc/31/40/94/1061314094.db2.gz XKLSAPWGOITGSK-FQEVSTJZSA-N 1 1 304.437 4.133 20 30 DIEDMO CC(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001462671671 1061328698 /nfs/dbraw/zinc/32/86/98/1061328698.db2.gz GSWFSEVQQGWAEO-UHFFFAOYSA-N 1 1 308.400 4.379 20 30 DIEDMO CC(C)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC001462671671 1061328715 /nfs/dbraw/zinc/32/87/15/1061328715.db2.gz GSWFSEVQQGWAEO-UHFFFAOYSA-N 1 1 308.400 4.379 20 30 DIEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001473704599 1061358578 /nfs/dbraw/zinc/35/85/78/1061358578.db2.gz QXHUOSAINWKGQC-LJQANCHMSA-N 1 1 308.400 4.465 20 30 DIEDMO C=CCCCC[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001473709032 1061361948 /nfs/dbraw/zinc/36/19/48/1061361948.db2.gz JWBRFCDZIPZCDE-MRXNPFEDSA-N 1 1 310.482 4.112 20 30 DIEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC001473727355 1061375497 /nfs/dbraw/zinc/37/54/97/1061375497.db2.gz FNQVFUYDMYUXKJ-IBGZPJMESA-N 1 1 317.860 4.115 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001473730279 1061375962 /nfs/dbraw/zinc/37/59/62/1061375962.db2.gz PSNJIHPERGCQIV-SFHVURJKSA-N 1 1 306.400 4.302 20 30 DIEDMO C#CC[N@@H+](Cc1cc(=O)oc2cc(C)c(C(C)C)cc12)C(C)C ZINC001473819050 1061423365 /nfs/dbraw/zinc/42/33/65/1061423365.db2.gz JBKJOIMBCGCFJG-UHFFFAOYSA-N 1 1 311.425 4.068 20 30 DIEDMO Cc1nc(-c2ccccc2)oc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC001473836419 1061429461 /nfs/dbraw/zinc/42/94/61/1061429461.db2.gz DJLDWBGFORKDRJ-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO Cc1nc(-c2ccccc2)oc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC001473836419 1061429473 /nfs/dbraw/zinc/42/94/73/1061429473.db2.gz DJLDWBGFORKDRJ-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC001473843526 1061430572 /nfs/dbraw/zinc/43/05/72/1061430572.db2.gz FDNLOYSHWGPDKG-OKULMJQMSA-N 1 1 305.396 4.355 20 30 DIEDMO C=CCCC[N@H+](CC)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC001473861578 1061437915 /nfs/dbraw/zinc/43/79/15/1061437915.db2.gz CIKZJUNNUYWXHF-QGZVFWFLSA-N 1 1 322.518 4.240 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001473904098 1061456479 /nfs/dbraw/zinc/45/64/79/1061456479.db2.gz MODMKACMBFRKKT-INIZCTEOSA-N 1 1 310.482 4.064 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001457738110 1061492550 /nfs/dbraw/zinc/49/25/50/1061492550.db2.gz NWJXCCQJBRACMU-RTBURBONSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001457796352 1061503842 /nfs/dbraw/zinc/50/38/42/1061503842.db2.gz MHANEEHRICQQMR-IBGZPJMESA-N 1 1 316.489 4.080 20 30 DIEDMO CC[N@@H+](c1ccc(Nc2cc(C#N)nc(C3CC3)n2)cc1)C(C)C ZINC001458090254 1061567181 /nfs/dbraw/zinc/56/71/81/1061567181.db2.gz WWHJJRJRQUDAGY-UHFFFAOYSA-N 1 1 321.428 4.204 20 30 DIEDMO CC[N@H+](c1ccc(Nc2cc(C#N)nc(C3CC3)n2)cc1)C(C)C ZINC001458090254 1061567194 /nfs/dbraw/zinc/56/71/94/1061567194.db2.gz WWHJJRJRQUDAGY-UHFFFAOYSA-N 1 1 321.428 4.204 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001252123321 1061582691 /nfs/dbraw/zinc/58/26/91/1061582691.db2.gz FYMJUCNNKZXMLO-HXUWFJFHSA-N 1 1 314.473 4.028 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001252124069 1061582778 /nfs/dbraw/zinc/58/27/78/1061582778.db2.gz OFBWNGJFACMSEQ-CYBMUJFWSA-N 1 1 318.914 4.340 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001252124069 1061582802 /nfs/dbraw/zinc/58/28/02/1061582802.db2.gz OFBWNGJFACMSEQ-CYBMUJFWSA-N 1 1 318.914 4.340 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001252128626 1061583866 /nfs/dbraw/zinc/58/38/66/1061583866.db2.gz PMSPYQSHUOFFHK-OALUTQOASA-N 1 1 304.478 4.330 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001252128836 1061584505 /nfs/dbraw/zinc/58/45/05/1061584505.db2.gz QSCMMPYBTXBCHB-WOJBJXKFSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001252128836 1061584524 /nfs/dbraw/zinc/58/45/24/1061584524.db2.gz QSCMMPYBTXBCHB-WOJBJXKFSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001252130688 1061585733 /nfs/dbraw/zinc/58/57/33/1061585733.db2.gz WQDVUHHAHGHGDM-JKSUJKDBSA-N 1 1 310.507 4.392 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001252128835 1061586676 /nfs/dbraw/zinc/58/66/76/1061586676.db2.gz QSCMMPYBTXBCHB-VQTJNVASSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001252128835 1061586696 /nfs/dbraw/zinc/58/66/96/1061586696.db2.gz QSCMMPYBTXBCHB-VQTJNVASSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nccs1 ZINC001252130687 1061587171 /nfs/dbraw/zinc/58/71/71/1061587171.db2.gz WQDVUHHAHGHGDM-HZPDHXFCSA-N 1 1 310.507 4.392 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+](C1CCC1)C1CCOCC1 ZINC001252132318 1061591273 /nfs/dbraw/zinc/59/12/73/1061591273.db2.gz FNQNCQIEANYPQN-LJQANCHMSA-N 1 1 311.510 4.131 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001252134277 1061592768 /nfs/dbraw/zinc/59/27/68/1061592768.db2.gz WQWLVHVBEBVHIU-IBGZPJMESA-N 1 1 302.462 4.102 20 30 DIEDMO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C(C)=O)c1ccccc1 ZINC001252135348 1061595179 /nfs/dbraw/zinc/59/51/79/1061595179.db2.gz CNFNJGAAFCBCIO-MOPGFXCFSA-N 1 1 305.462 4.018 20 30 DIEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001464563797 1061609231 /nfs/dbraw/zinc/60/92/31/1061609231.db2.gz VICSMJSTJDEYBL-SFHVURJKSA-N 1 1 320.521 4.284 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001253234324 1061836672 /nfs/dbraw/zinc/83/66/72/1061836672.db2.gz ZAOYFRRNAOYDEM-IBGZPJMESA-N 1 1 314.473 4.487 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCN(CCCCCC)CC1 ZINC001253240126 1061837060 /nfs/dbraw/zinc/83/70/60/1061837060.db2.gz ZQLWZJKTWRVWBG-HXUWFJFHSA-N 1 1 324.553 4.072 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)ccc1C#N ZINC001474327101 1061914612 /nfs/dbraw/zinc/91/46/12/1061914612.db2.gz PFIZZHIZTZCTHZ-KBXCAEBGSA-N 1 1 324.424 4.442 20 30 DIEDMO C=CC[N@@H+](Cc1nc(-c2cccc(OC)c2)cs1)C(C)C ZINC001474334541 1061932454 /nfs/dbraw/zinc/93/24/54/1061932454.db2.gz SGZHKSKPHIRSBY-UHFFFAOYSA-N 1 1 302.443 4.215 20 30 DIEDMO C=CC[N@H+](Cc1nc(-c2cccc(OC)c2)cs1)C(C)C ZINC001474334541 1061932476 /nfs/dbraw/zinc/93/24/76/1061932476.db2.gz SGZHKSKPHIRSBY-UHFFFAOYSA-N 1 1 302.443 4.215 20 30 DIEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1)c1ccccc1 ZINC001474346424 1061952075 /nfs/dbraw/zinc/95/20/75/1061952075.db2.gz AFRWYEPDHCZEIF-KRWDZBQOSA-N 1 1 304.437 4.477 20 30 DIEDMO C=CC[N@@H+](C[C@H](O)C(c1ccccc1)c1ccccc1)C(C)(C)C ZINC001253929932 1062000603 /nfs/dbraw/zinc/00/06/03/1062000603.db2.gz RIKCVJWGVTYBHE-FQEVSTJZSA-N 1 1 323.480 4.466 20 30 DIEDMO CC[N@@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C[C@H](C)C#N ZINC001474376207 1062020186 /nfs/dbraw/zinc/02/01/86/1062020186.db2.gz JIJZHQZAWWIUQO-MRXNPFEDSA-N 1 1 324.424 4.469 20 30 DIEDMO CC[N@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C[C@H](C)C#N ZINC001474376207 1062020207 /nfs/dbraw/zinc/02/02/07/1062020207.db2.gz JIJZHQZAWWIUQO-MRXNPFEDSA-N 1 1 324.424 4.469 20 30 DIEDMO CCCN(Cc1ccc(C#N)cc1)C[C@@H]1CCCC[N@H+]1C(C)C ZINC001459308401 1062078539 /nfs/dbraw/zinc/07/85/39/1062078539.db2.gz HYDRHUZKXHHGIK-FQEVSTJZSA-N 1 1 313.489 4.033 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCN1C(C)C ZINC001459308401 1062078551 /nfs/dbraw/zinc/07/85/51/1062078551.db2.gz HYDRHUZKXHHGIK-FQEVSTJZSA-N 1 1 313.489 4.033 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCN1C(C)C ZINC001459308401 1062078575 /nfs/dbraw/zinc/07/85/75/1062078575.db2.gz HYDRHUZKXHHGIK-FQEVSTJZSA-N 1 1 313.489 4.033 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC2(CCC2)O1 ZINC001459311522 1062081939 /nfs/dbraw/zinc/08/19/39/1062081939.db2.gz JLLFJOUUAIBNMR-LJQANCHMSA-N 1 1 312.457 4.262 20 30 DIEDMO CC[C@H]1CCC[N@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356319 1062084337 /nfs/dbraw/zinc/08/43/37/1062084337.db2.gz OLEVKSSYGYTINS-VIQWUECVSA-N 1 1 300.421 4.404 20 30 DIEDMO C[N@@H+](Cc1cccnc1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353079 1062085213 /nfs/dbraw/zinc/08/52/13/1062085213.db2.gz PJYNDDRBPRGQCE-UHFFFAOYSA-N 1 1 323.415 4.057 20 30 DIEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C[C@H]1F ZINC001254353330 1062085993 /nfs/dbraw/zinc/08/59/93/1062085993.db2.gz ZNPUSMDUZBDSNG-ZIPRAHGXSA-N 1 1 318.411 4.210 20 30 DIEDMO C[C@H]1CCC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353290 1062086059 /nfs/dbraw/zinc/08/60/59/1062086059.db2.gz YSQNMQYZWZCILK-MNNVXMFVSA-N 1 1 300.421 4.262 20 30 DIEDMO C#CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC001459346868 1062099506 /nfs/dbraw/zinc/09/95/06/1062099506.db2.gz UHKCNWXUCZPXRK-NRFANRHFSA-N 1 1 319.835 4.314 20 30 DIEDMO C#CC[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC001459346868 1062099528 /nfs/dbraw/zinc/09/95/28/1062099528.db2.gz UHKCNWXUCZPXRK-NRFANRHFSA-N 1 1 319.835 4.314 20 30 DIEDMO Cc1cc(Br)cc2c1C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC001474429000 1062103562 /nfs/dbraw/zinc/10/35/62/1062103562.db2.gz BCBLXZYYVNFUFC-GFCCVEGCSA-N 1 1 321.262 4.056 20 30 DIEDMO C#CC[N@H+](CCOc1ccc(SC)cc1)C1CCCCC1 ZINC001459388480 1062124903 /nfs/dbraw/zinc/12/49/03/1062124903.db2.gz ACEQTGJDLPZCNF-UHFFFAOYSA-N 1 1 303.471 4.055 20 30 DIEDMO C=CC[N@@H+](CCCc1ccccc1OC)CCc1ccccc1 ZINC001459395533 1062128135 /nfs/dbraw/zinc/12/81/35/1062128135.db2.gz ZKNNMCYJQCDKTC-UHFFFAOYSA-N 1 1 309.453 4.359 20 30 DIEDMO C=CC[N@H+](CCCc1ccccc1OC)Cc1cccc(C#N)c1 ZINC001459400736 1062128548 /nfs/dbraw/zinc/12/85/48/1062128548.db2.gz RBGMDRAJUOOIJW-UHFFFAOYSA-N 1 1 320.436 4.188 20 30 DIEDMO CCC[C@H](CCc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001254493026 1062134627 /nfs/dbraw/zinc/13/46/27/1062134627.db2.gz IVOAYPWGVXPQBQ-QZTJIDSGSA-N 1 1 315.482 4.062 20 30 DIEDMO N#Cc1ccc(CC[N@H+](Cc2ccccc2O)C2CCCC2)cc1 ZINC001459468922 1062159463 /nfs/dbraw/zinc/15/94/63/1062159463.db2.gz OXFQUPGONLLGKO-UHFFFAOYSA-N 1 1 320.436 4.251 20 30 DIEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3cccc(F)c3C#N)C2)cc1 ZINC001474482751 1062161916 /nfs/dbraw/zinc/16/19/16/1062161916.db2.gz HIYZRRXDSMXKPG-QAPCUYQASA-N 1 1 308.400 4.384 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001459494537 1062169290 /nfs/dbraw/zinc/16/92/90/1062169290.db2.gz WUMODQDBFINQSL-INIZCTEOSA-N 1 1 315.417 4.115 20 30 DIEDMO C=C(C)C[N@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC001474493384 1062172617 /nfs/dbraw/zinc/17/26/17/1062172617.db2.gz OJWAXYRGIJGKFK-UHFFFAOYSA-N 1 1 308.381 4.112 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1 ZINC001474493384 1062172634 /nfs/dbraw/zinc/17/26/34/1062172634.db2.gz OJWAXYRGIJGKFK-UHFFFAOYSA-N 1 1 308.381 4.112 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535176 1062189022 /nfs/dbraw/zinc/18/90/22/1062189022.db2.gz YVBORSVSLILRDB-XUVXKRRUSA-N 1 1 324.468 4.107 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC001459535176 1062189033 /nfs/dbraw/zinc/18/90/33/1062189033.db2.gz YVBORSVSLILRDB-XUVXKRRUSA-N 1 1 324.468 4.107 20 30 DIEDMO Cc1cc2c(s1)N([C@H]1CC[C@H](C#N)C1)c1ccccc1NC2=[NH2+] ZINC001254636703 1062208084 /nfs/dbraw/zinc/20/80/84/1062208084.db2.gz LIEXPDJQMFTXEI-STQMWFEESA-N 1 1 322.437 4.237 20 30 DIEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)ccc(Cl)c2Cl)C1 ZINC001254649095 1062213121 /nfs/dbraw/zinc/21/31/21/1062213121.db2.gz MXGMNBNAOMYFBL-IUCAKERBSA-N 1 1 303.620 4.429 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001459568337 1062218509 /nfs/dbraw/zinc/21/85/09/1062218509.db2.gz AHQLLBKKSJTNHR-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(Br)cc2)C1 ZINC001254659707 1062218939 /nfs/dbraw/zinc/21/89/39/1062218939.db2.gz BMJBBCPWWSYMSN-KCXAZCMYSA-N 1 1 319.246 4.278 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001254659692 1062219003 /nfs/dbraw/zinc/21/90/03/1062219003.db2.gz BFYHYNWPXSJADL-IOASZLSFSA-N 1 1 319.246 4.278 20 30 DIEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254673924 1062225078 /nfs/dbraw/zinc/22/50/78/1062225078.db2.gz REGUZJRTGBLZQL-VYHVBIQSSA-N 1 1 321.251 4.259 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@H]2c2cccc(Cl)c2)C1 ZINC001254671130 1062225678 /nfs/dbraw/zinc/22/56/78/1062225678.db2.gz PECOPOBWSKLZTP-WQVCFCJDSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@H]2c2cccc(Cl)c2)C1 ZINC001254671130 1062225699 /nfs/dbraw/zinc/22/56/99/1062225699.db2.gz PECOPOBWSKLZTP-WQVCFCJDSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@@H]2c2cccc(Cl)c2)C1 ZINC001254671127 1062226208 /nfs/dbraw/zinc/22/62/08/1062226208.db2.gz PECOPOBWSKLZTP-DAXOMENPSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCSC[C@@H]2c2cccc(Cl)c2)C1 ZINC001254671127 1062226224 /nfs/dbraw/zinc/22/62/24/1062226224.db2.gz PECOPOBWSKLZTP-DAXOMENPSA-N 1 1 306.862 4.122 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@@H+](CCc2ccccc2)Cc2ccccc2)C1 ZINC001254670807 1062226385 /nfs/dbraw/zinc/22/63/85/1062226385.db2.gz MOJBTLMCTMUCJS-NHCUHLMSSA-N 1 1 304.437 4.424 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC001254672061 1062227131 /nfs/dbraw/zinc/22/71/31/1062227131.db2.gz XEBVJPVRIVGSRO-KCXAZCMYSA-N 1 1 319.246 4.278 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 ZINC001254677867 1062228994 /nfs/dbraw/zinc/22/89/94/1062228994.db2.gz XCWNLTXSMDCXAU-IVMMDQJWSA-N 1 1 324.346 4.414 20 30 DIEDMO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254679552 1062231112 /nfs/dbraw/zinc/23/11/12/1062231112.db2.gz NQCRZKQPPBQMAE-JQHSSLGASA-N 1 1 312.457 4.345 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785163 1062247637 /nfs/dbraw/zinc/24/76/37/1062247637.db2.gz BYZGBFBVLCQFGT-INIZCTEOSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254785164 1062249273 /nfs/dbraw/zinc/24/92/73/1062249273.db2.gz 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C=C1CC=C(F)C=C1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255131653 1062322226 /nfs/dbraw/zinc/32/22/26/1062322226.db2.gz PESBLTIOEVNBOT-OWZKRDHZSA-N 1 1 324.443 4.469 20 30 DIEDMO C=CC[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC001459706225 1062324596 /nfs/dbraw/zinc/32/45/96/1062324596.db2.gz BLRPOERMZFGOQW-OAHLLOKOSA-N 1 1 315.436 4.055 20 30 DIEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC001459710963 1062326995 /nfs/dbraw/zinc/32/69/95/1062326995.db2.gz SLTCOAIWMUYVND-LPHOPBHVSA-N 1 1 300.446 4.228 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Cl)C1 ZINC001474619069 1062339927 /nfs/dbraw/zinc/33/99/27/1062339927.db2.gz MMZZGRLKUUSOAB-CYBMUJFWSA-N 1 1 309.837 4.145 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC001459734164 1062346752 /nfs/dbraw/zinc/34/67/52/1062346752.db2.gz MHTLCUKDQFNACJ-ZWKOTPCHSA-N 1 1 318.436 4.113 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC001459734164 1062346775 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CCCCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256549266 1062868163 /nfs/dbraw/zinc/86/81/63/1062868163.db2.gz GBSHVMCEVLRZKZ-AZUAARDMSA-N 1 1 313.489 4.055 20 30 DIEDMO CCCCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256549269 1062870587 /nfs/dbraw/zinc/87/05/87/1062870587.db2.gz GBSHVMCEVLRZKZ-UYAOXDASSA-N 1 1 313.489 4.055 20 30 DIEDMO C=CC[N@H+]([C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)(C)C ZINC001256560697 1062882741 /nfs/dbraw/zinc/88/27/41/1062882741.db2.gz SODYIGXSDYNBGN-HKUYNNGSSA-N 1 1 300.490 4.326 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001256561581 1062882952 /nfs/dbraw/zinc/88/29/52/1062882952.db2.gz YUCPIHFYVIGMIR-QUCCMNQESA-N 1 1 300.490 4.328 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001460506992 1062887585 /nfs/dbraw/zinc/88/75/85/1062887585.db2.gz AYWRAOVKKXLNQO-GOSISDBHSA-N 1 1 312.457 4.359 20 30 DIEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001460597000 1062925877 /nfs/dbraw/zinc/92/58/77/1062925877.db2.gz GQCCUAOVCHYTNH-IBGZPJMESA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@@H](Cc1ccncc1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001256745589 1062962044 /nfs/dbraw/zinc/96/20/44/1062962044.db2.gz ODZATECTVANGQW-HNNXBMFYSA-N 1 1 313.832 4.082 20 30 DIEDMO C[C@@H](Cc1ccncc1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001256745589 1062962067 /nfs/dbraw/zinc/96/20/67/1062962067.db2.gz ODZATECTVANGQW-HNNXBMFYSA-N 1 1 313.832 4.082 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]1(CC)CCc1ccccc1 ZINC001460707729 1063002185 /nfs/dbraw/zinc/00/21/85/1063002185.db2.gz JVEQIXYVGMJTNZ-UXHICEINSA-N 1 1 301.474 4.191 20 30 DIEDMO C[C@H](Cc1ccccc1Br)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001256843028 1063012955 /nfs/dbraw/zinc/01/29/55/1063012955.db2.gz AFUQEALNKJTXOX-KGLIPLIRSA-N 1 1 321.262 4.006 20 30 DIEDMO C[N@@H+](Cc1nc(C#N)cs1)C1(Cc2ccccc2)CCCC1 ZINC001460736078 1063027729 /nfs/dbraw/zinc/02/77/29/1063027729.db2.gz JAWBHOOOFVSZQT-UHFFFAOYSA-N 1 1 311.454 4.002 20 30 DIEDMO CC[N@@H+](Cc1cccc(Br)c1)C1CCC(C#N)CC1 ZINC001256972588 1063066281 /nfs/dbraw/zinc/06/62/81/1063066281.db2.gz DGBXZEGEJSRPCQ-UHFFFAOYSA-N 1 1 321.262 4.353 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC[C@H](F)C3)CC2)cc1 ZINC001257016427 1063079593 /nfs/dbraw/zinc/07/95/93/1063079593.db2.gz DAQQOJOWZZBAHD-XBMUEBEBSA-N 1 1 300.421 4.408 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@@]4(C3)CCCCO4)CC2)cc1 ZINC001257016956 1063080411 /nfs/dbraw/zinc/08/04/11/1063080411.db2.gz LFYZZQQUZKLSGD-XVAXZDLZSA-N 1 1 324.468 4.229 20 30 DIEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1F ZINC001257017759 1063083156 /nfs/dbraw/zinc/08/31/56/1063083156.db2.gz ZZLWTYYGUIZIQI-YOODTLSXSA-N 1 1 300.421 4.264 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@H]4CCCO[C@H]4C3)CC2)cc1 ZINC001257017712 1063083272 /nfs/dbraw/zinc/08/32/72/1063083272.db2.gz YRJUTDGMROKSQZ-KOQKOIQBSA-N 1 1 324.468 4.085 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CCc4ccncc4C3)CC2)cc1 ZINC001257021348 1063086139 /nfs/dbraw/zinc/08/61/39/1063086139.db2.gz ULFOGKCJWKTARQ-UHFFFAOYSA-N 1 1 317.436 4.038 20 30 DIEDMO C#CC[N@@H+](Cc1cc(F)ccc1F)[C@H]1CCCc2ccccc21 ZINC001460835270 1063091658 /nfs/dbraw/zinc/09/16/58/1063091658.db2.gz JYYNJWCDMFMKKI-FQEVSTJZSA-N 1 1 311.375 4.478 20 30 DIEDMO C#CC[N@H+](Cc1cc(F)ccc1F)[C@H]1CCCc2ccccc21 ZINC001460835270 1063091677 /nfs/dbraw/zinc/09/16/77/1063091677.db2.gz JYYNJWCDMFMKKI-FQEVSTJZSA-N 1 1 311.375 4.478 20 30 DIEDMO C=CC[C@H](C)[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001460862403 1063105545 /nfs/dbraw/zinc/10/55/45/1063105545.db2.gz VAUOQRJOUAVUEC-JTQLQIEISA-N 1 1 314.654 4.425 20 30 DIEDMO C=CC[C@H](C)[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001460862403 1063105555 /nfs/dbraw/zinc/10/55/55/1063105555.db2.gz VAUOQRJOUAVUEC-JTQLQIEISA-N 1 1 314.654 4.425 20 30 DIEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001460872161 1063111295 /nfs/dbraw/zinc/11/12/95/1063111295.db2.gz QVJSHEHFRVMDQY-LJQANCHMSA-N 1 1 310.466 4.259 20 30 DIEDMO COc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc2ccccc21 ZINC001460894457 1063119637 /nfs/dbraw/zinc/11/96/37/1063119637.db2.gz DKECARUSLBKVSA-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO CCC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC001460896323 1063123890 /nfs/dbraw/zinc/12/38/90/1063123890.db2.gz AXJHIDRXNPVEEZ-CQSZACIVSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccc(C#N)cc1Br ZINC001460898271 1063123981 /nfs/dbraw/zinc/12/39/81/1063123981.db2.gz FLEFRFDVZZVMAG-UHFFFAOYSA-N 1 1 307.235 4.109 20 30 DIEDMO C=CCCC[N@H+](CC)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460902355 1063127221 /nfs/dbraw/zinc/12/72/21/1063127221.db2.gz ULQXABNHXDSKCW-QGZVFWFLSA-N 1 1 324.509 4.312 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1 ZINC001257204723 1063136204 /nfs/dbraw/zinc/13/62/04/1063136204.db2.gz LQZABKQXKGQJID-IRXDYDNUSA-N 1 1 324.509 4.309 20 30 DIEDMO COc1ccc2cc(CC[C@H](C)[N@H+]3CCC[C@H](C#N)C3)ccc2c1 ZINC001257280711 1063177889 /nfs/dbraw/zinc/17/78/89/1063177889.db2.gz DXHXKAWYSFXXOK-FUHWJXTLSA-N 1 1 322.452 4.405 20 30 DIEDMO CC[N@@H+](CCC#N)[C@H](C)CCc1ccc2cc(OC)ccc2c1 ZINC001257283559 1063179592 /nfs/dbraw/zinc/17/95/92/1063179592.db2.gz WSKPIBGBTYOYBI-MRXNPFEDSA-N 1 1 310.441 4.405 20 30 DIEDMO C[N@@H+](Cc1ccccc1)C1(CNc2cc(F)ccc2C#N)CCC1 ZINC001472789026 1063237154 /nfs/dbraw/zinc/23/71/54/1063237154.db2.gz CDKYLCAIZYRLQC-UHFFFAOYSA-N 1 1 323.415 4.164 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)CCCC)[C@@H]2CC ZINC001257420343 1063264506 /nfs/dbraw/zinc/26/45/06/1063264506.db2.gz LCYXATAMWFPMHW-GGPKGHCWSA-N 1 1 320.521 4.377 20 30 DIEDMO CCCCCCCCCC[C@@H](C)n1c(C)ncc(C[NH3+])c1=N ZINC001257548225 1063328505 /nfs/dbraw/zinc/32/85/05/1063328505.db2.gz UJGSPROAGSFSOH-OAHLLOKOSA-N 1 1 306.498 4.221 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[N@@H+]1CCn2c(C)nnc2C1 ZINC001257550817 1063332485 /nfs/dbraw/zinc/33/24/85/1063332485.db2.gz VOHBLKBOSGYRKB-MRXNPFEDSA-N 1 1 306.498 4.321 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCn2c(C)nnc2C1 ZINC001257550817 1063332506 /nfs/dbraw/zinc/33/25/06/1063332506.db2.gz VOHBLKBOSGYRKB-MRXNPFEDSA-N 1 1 306.498 4.321 20 30 DIEDMO CCCCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001461231748 1063351632 /nfs/dbraw/zinc/35/16/32/1063351632.db2.gz MILPYXINNFJRBK-QZTJIDSGSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001461231754 1063352578 /nfs/dbraw/zinc/35/25/78/1063352578.db2.gz MILPYXINNFJRBK-ZWKOTPCHSA-N 1 1 308.510 4.260 20 30 DIEDMO C=C(C)C[N@H+](CC)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257761100 1063380816 /nfs/dbraw/zinc/38/08/16/1063380816.db2.gz ABNGBTPTNXFMFZ-UHFFFAOYSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCCCC[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC001473104301 1063401531 /nfs/dbraw/zinc/40/15/31/1063401531.db2.gz IZXNZGXMZVKIFQ-SFHVURJKSA-N 1 1 303.446 4.033 20 30 DIEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)cc1C ZINC001473113643 1063416084 /nfs/dbraw/zinc/41/60/84/1063416084.db2.gz VPBDAVCKZTWGJQ-UHFFFAOYSA-N 1 1 308.425 4.076 20 30 DIEDMO C=CC[N@H+](CCc1ccc(F)c(F)c1)Cc1ccc(OC)cc1 ZINC001473115040 1063416176 /nfs/dbraw/zinc/41/61/76/1063416176.db2.gz LHNDNVSOJFJLAG-UHFFFAOYSA-N 1 1 317.379 4.204 20 30 DIEDMO COc1ccc(CCC[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001473118051 1063419417 /nfs/dbraw/zinc/41/94/17/1063419417.db2.gz UQHPLLMCLVUFOR-UHFFFAOYSA-N 1 1 314.473 4.424 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCCC1(F)F ZINC001473131823 1063438752 /nfs/dbraw/zinc/43/87/52/1063438752.db2.gz NVHRVJNMRNJWOO-QGZVFWFLSA-N 1 1 304.384 4.372 20 30 DIEDMO C=CC[N@H+](CC(=O)NCCC1CCCCC1)CC1CCCCC1 ZINC001473164116 1063467260 /nfs/dbraw/zinc/46/72/60/1063467260.db2.gz SODGUQOEUQQOCG-UHFFFAOYSA-N 1 1 320.521 4.141 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001258043449 1063477751 /nfs/dbraw/zinc/47/77/51/1063477751.db2.gz CIKMWLRBDNAZBJ-FUHWJXTLSA-N 1 1 321.509 4.198 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001258046459 1063477784 /nfs/dbraw/zinc/47/77/84/1063477784.db2.gz BHAHLNGJJOKKMM-IEBWSBKVSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001258043561 1063478291 /nfs/dbraw/zinc/47/82/91/1063478291.db2.gz DMPRPJDYIHWWPZ-LJQANCHMSA-N 1 1 317.521 4.338 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001258045095 1063478918 /nfs/dbraw/zinc/47/89/18/1063478918.db2.gz WJNYUNVHZGUJHQ-IAGOWNOFSA-N 1 1 321.509 4.105 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCCCCCC)C2)C1=O ZINC001258043684 1063479258 /nfs/dbraw/zinc/47/92/58/1063479258.db2.gz FKNYNWMXDBNHTL-UYAOXDASSA-N 1 1 320.521 4.236 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H]1C[C@H](OCC)C1(C)C ZINC001473176367 1063481726 /nfs/dbraw/zinc/48/17/26/1063481726.db2.gz VPKYMUKIRJBUJK-OALUTQOASA-N 1 1 314.473 4.282 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049318 1063481696 /nfs/dbraw/zinc/48/16/96/1063481696.db2.gz FCVLJTZYBMZILD-ICSRJNTNSA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001258049318 1063481703 /nfs/dbraw/zinc/48/17/03/1063481703.db2.gz FCVLJTZYBMZILD-ICSRJNTNSA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001258048946 1063482069 /nfs/dbraw/zinc/48/20/69/1063482069.db2.gz ZOYPCHBEKUFDKL-GBESFXJTSA-N 1 1 322.537 4.314 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258047531 1063482452 /nfs/dbraw/zinc/48/24/52/1063482452.db2.gz LSJVJEZUGFIJCD-YSIASYRMSA-N 1 1 323.521 4.395 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001258048480 1063483239 /nfs/dbraw/zinc/48/32/39/1063483239.db2.gz VALWQDQBUZJQTM-KRWDZBQOSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCCCCCC[C@H](C)n1cnc(C[NH3+])cc1=N ZINC001258051659 1063485240 /nfs/dbraw/zinc/48/52/40/1063485240.db2.gz HDHWQMPXLASTOB-INIZCTEOSA-N 1 1 306.498 4.303 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)[C@@H](c2ccco2)C1 ZINC001473188241 1063498309 /nfs/dbraw/zinc/49/83/09/1063498309.db2.gz WWGQBLTZRYGKLA-VQIMIIECSA-N 1 1 324.424 4.393 20 30 DIEDMO C[C@H]1C[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@@H](C)C1 ZINC001258152376 1063532407 /nfs/dbraw/zinc/53/24/07/1063532407.db2.gz RFMSSLPETZGKQV-BRPSZJMVSA-N 1 1 309.269 4.234 20 30 DIEDMO C=C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC001258139710 1063533903 /nfs/dbraw/zinc/53/39/03/1063533903.db2.gz LDNWKCOYOMFZNZ-JOCHJYFZSA-N 1 1 320.480 4.210 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258227868 1063569062 /nfs/dbraw/zinc/56/90/62/1063569062.db2.gz BLBIYVFOKQSERX-HOTGVXAUSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232379 1063572179 /nfs/dbraw/zinc/57/21/79/1063572179.db2.gz PNDGXNWBJJMBBD-GBESFXJTSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001258232188 1063572294 /nfs/dbraw/zinc/57/22/94/1063572294.db2.gz BHIHIWAJCBTRRY-MRXNPFEDSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001258232568 1063572545 /nfs/dbraw/zinc/57/25/45/1063572545.db2.gz VJPSKKKPOSIRMQ-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCn2c(CC)nnc2C1 ZINC001258232568 1063572568 /nfs/dbraw/zinc/57/25/68/1063572568.db2.gz VJPSKKKPOSIRMQ-MRXNPFEDSA-N 1 1 306.498 4.185 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCCCCCC1)CCO2 ZINC001258243615 1063579156 /nfs/dbraw/zinc/57/91/56/1063579156.db2.gz VBMSBCHRRRVAES-UYAOXDASSA-N 1 1 321.505 4.173 20 30 DIEDMO COc1ccc(CC[C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC001258406221 1063642611 /nfs/dbraw/zinc/64/26/11/1063642611.db2.gz PPRSRKGNZHGXHV-INIZCTEOSA-N 1 1 308.425 4.020 20 30 DIEDMO COc1cccc(Sc2ccccc2C[NH2+][C@H](C)CC#N)c1 ZINC001461725120 1063679874 /nfs/dbraw/zinc/67/98/74/1063679874.db2.gz TUPKVRZOWNAMIF-CQSZACIVSA-N 1 1 312.438 4.238 20 30 DIEDMO CCC[C@H](Cc1ccccc1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258657594 1063728148 /nfs/dbraw/zinc/72/81/48/1063728148.db2.gz ROZJPPGLDTVYJL-OAQYLSRUSA-N 1 1 304.437 4.328 20 30 DIEDMO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258709592 1063766623 /nfs/dbraw/zinc/76/66/23/1063766623.db2.gz LTMYLQVQTGWBRB-ROUUACIJSA-N 1 1 315.482 4.062 20 30 DIEDMO CC(C)[N@@H+](Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001461876469 1063766995 /nfs/dbraw/zinc/76/69/95/1063766995.db2.gz VHIGLBMNODTUOC-UHFFFAOYSA-N 1 1 303.356 4.165 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1nccc2c1CCCC2 ZINC001461877284 1063770838 /nfs/dbraw/zinc/77/08/38/1063770838.db2.gz WCHSSSGXCQCXQP-UHFFFAOYSA-N 1 1 322.452 4.157 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nccc2c1CCCC2 ZINC001461877284 1063770850 /nfs/dbraw/zinc/77/08/50/1063770850.db2.gz WCHSSSGXCQCXQP-UHFFFAOYSA-N 1 1 322.452 4.157 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)n1c(C)ncc(C[NH3+])c1=N ZINC001258716441 1063773394 /nfs/dbraw/zinc/77/33/94/1063773394.db2.gz XSJYVLSFNNHPNB-QGZVFWFLSA-N 1 1 306.498 4.077 20 30 DIEDMO CC(C)C[N@H+](Cc1csc(C#N)c1)Cc1ccccc1F ZINC001461889233 1063777437 /nfs/dbraw/zinc/77/74/37/1063777437.db2.gz SWTBQJKZSKKLJS-UHFFFAOYSA-N 1 1 302.418 4.417 20 30 DIEDMO CC(C)C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1F ZINC001461889233 1063777446 /nfs/dbraw/zinc/77/74/46/1063777446.db2.gz SWTBQJKZSKKLJS-UHFFFAOYSA-N 1 1 302.418 4.417 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725371 1063778469 /nfs/dbraw/zinc/77/84/69/1063778469.db2.gz KRTFNIXMGXLJAU-QZTJIDSGSA-N 1 1 314.473 4.451 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc2ccccc2nc1OC ZINC001461889952 1063778928 /nfs/dbraw/zinc/77/89/28/1063778928.db2.gz XCFSWSKZEMNVCE-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2ccccc2nc1OC ZINC001461889952 1063778942 /nfs/dbraw/zinc/77/89/42/1063778942.db2.gz XCFSWSKZEMNVCE-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726297 1063779023 /nfs/dbraw/zinc/77/90/23/1063779023.db2.gz QRGXWMKMYFMPNP-APWZRJJASA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726304 1063779340 /nfs/dbraw/zinc/77/93/40/1063779340.db2.gz QRGXWMKMYFMPNP-VQIMIIECSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccn1 ZINC001258725603 1063779443 /nfs/dbraw/zinc/77/94/43/1063779443.db2.gz LZDCMVFLRMEYPO-DNVCBOLYSA-N 1 1 320.440 4.002 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C ZINC001258725376 1063779674 /nfs/dbraw/zinc/77/96/74/1063779674.db2.gz KRTFNIXMGXLJAU-ZWKOTPCHSA-N 1 1 314.473 4.451 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726300 1063779759 /nfs/dbraw/zinc/77/97/59/1063779759.db2.gz QRGXWMKMYFMPNP-LPHOPBHVSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001258732255 1063780477 /nfs/dbraw/zinc/78/04/77/1063780477.db2.gz KKQAVZQEIWSBPR-GFCCVEGCSA-N 1 1 302.245 4.142 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001258729447 1063781202 /nfs/dbraw/zinc/78/12/02/1063781202.db2.gz VGFQNSHTNOGBGQ-RLLQIKCJSA-N 1 1 314.473 4.055 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2C[C@H](c3nc(C)c(C)s3)O[C@@H]2C1 ZINC001258728109 1063781493 /nfs/dbraw/zinc/78/14/93/1063781493.db2.gz LIKCCXKOOPCOSM-KKBVYLPWSA-N 1 1 320.502 4.267 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001258727524 1063781558 /nfs/dbraw/zinc/78/15/58/1063781558.db2.gz IBOKQUHNEYZXRN-MRXNPFEDSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC001258732256 1063781638 /nfs/dbraw/zinc/78/16/38/1063781638.db2.gz KKQAVZQEIWSBPR-LBPRGKRZSA-N 1 1 302.245 4.142 20 30 DIEDMO C=CCC[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001258731239 1063781847 /nfs/dbraw/zinc/78/18/47/1063781847.db2.gz BTYZXHWQOICAAS-UHOSZYNNSA-N 1 1 315.457 4.152 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001258731014 1063782535 /nfs/dbraw/zinc/78/25/35/1063782535.db2.gz TYJUCBABCSSTCW-YLJYHZDGSA-N 1 1 316.464 4.221 20 30 DIEDMO C=CCC[C@@H](C)N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001258731014 1063782547 /nfs/dbraw/zinc/78/25/47/1063782547.db2.gz TYJUCBABCSSTCW-YLJYHZDGSA-N 1 1 316.464 4.221 20 30 DIEDMO C=CCC[C@@H](C)N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001258731014 1063782559 /nfs/dbraw/zinc/78/25/59/1063782559.db2.gz TYJUCBABCSSTCW-YLJYHZDGSA-N 1 1 316.464 4.221 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c(C)nnc1C(C)C)C2 ZINC001258731998 1063782624 /nfs/dbraw/zinc/78/26/24/1063782624.db2.gz HDNQAXHEWOSPMP-NRSFXHEJSA-N 1 1 316.493 4.233 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001258734020 1063784257 /nfs/dbraw/zinc/78/42/57/1063784257.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 1 1 312.501 4.329 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001258734020 1063784272 /nfs/dbraw/zinc/78/42/72/1063784272.db2.gz QELSSVIMBSDLNK-CTNGQTDRSA-N 1 1 312.501 4.329 20 30 DIEDMO C#CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccc(F)cc1 ZINC001461902053 1063786285 /nfs/dbraw/zinc/78/62/85/1063786285.db2.gz QQTIVNXGWMTPDH-AATRIKPKSA-N 1 1 322.427 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/nfs/dbraw/zinc/87/25/80/1063872580.db2.gz MJDVMRZKUBEKFV-UHFFFAOYSA-N 1 1 305.805 4.178 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2-c2ccccc2C)C1 ZINC001462004083 1063874364 /nfs/dbraw/zinc/87/43/64/1063874364.db2.gz WNHUZLMBOGXVBM-LJQANCHMSA-N 1 1 307.437 4.439 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)[nH]n1 ZINC001262020997 1063952122 /nfs/dbraw/zinc/95/21/22/1063952122.db2.gz RIOVLCDIQGRCPF-INIZCTEOSA-N 1 1 316.493 4.433 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC001262020997 1063952137 /nfs/dbraw/zinc/95/21/37/1063952137.db2.gz RIOVLCDIQGRCPF-INIZCTEOSA-N 1 1 316.493 4.433 20 30 DIEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC001262020997 1063952150 /nfs/dbraw/zinc/95/21/50/1063952150.db2.gz RIOVLCDIQGRCPF-INIZCTEOSA-N 1 1 316.493 4.433 20 30 DIEDMO C=C[C@@H](CC)CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC001264490217 1064105033 /nfs/dbraw/zinc/10/50/33/1064105033.db2.gz HHFXKTUDCIFBKB-IRXDYDNUSA-N 1 1 314.473 4.459 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001279271965 1064339710 /nfs/dbraw/zinc/33/97/10/1064339710.db2.gz KGAMBKCLBDRXFF-FQEVSTJZSA-N 1 1 315.505 4.049 20 30 DIEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@]2(CN(C)CCO2)C1 ZINC001279468454 1064350260 /nfs/dbraw/zinc/35/02/60/1064350260.db2.gz ZORUTWBIRRFVFR-FQEVSTJZSA-N 1 1 322.537 4.090 20 30 DIEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@@]2(CN(C)CCO2)C1 ZINC001279468455 1064350731 /nfs/dbraw/zinc/35/07/31/1064350731.db2.gz ZORUTWBIRRFVFR-HXUWFJFHSA-N 1 1 322.537 4.090 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)CC1 ZINC001279491188 1064354278 /nfs/dbraw/zinc/35/42/78/1064354278.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 1 1 302.506 4.097 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)CC1 ZINC001279491188 1064354283 /nfs/dbraw/zinc/35/42/83/1064354283.db2.gz WBWYBNNDYAMBPB-UXHICEINSA-N 1 1 302.506 4.097 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(CC)C(C)C)C1 ZINC001279720037 1064363761 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185164725 /nfs/dbraw/zinc/16/47/25/185164725.db2.gz VJJFKNTWLBBXAI-UHFFFAOYSA-N 1 1 305.834 4.080 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000303766366 335020716 /nfs/dbraw/zinc/02/07/16/335020716.db2.gz PTYSTRURVCBSQK-MJGOQNOKSA-N 1 1 320.436 4.124 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccco1 ZINC000286258693 335030784 /nfs/dbraw/zinc/03/07/84/335030784.db2.gz USQGFQIFEYGDNR-SFHVURJKSA-N 1 1 316.420 4.277 20 30 DIEDMO Cc1nc2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2s1 ZINC000426036533 335042159 /nfs/dbraw/zinc/04/21/59/335042159.db2.gz ONTJUKOPCSPPCB-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 ZINC000564537469 335057852 /nfs/dbraw/zinc/05/78/52/335057852.db2.gz VNZFXEKCERWZLY-KSZLIROESA-N 1 1 323.465 4.173 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000564537473 335058202 /nfs/dbraw/zinc/05/82/02/335058202.db2.gz VNZFXEKCERWZLY-KZNAEPCWSA-N 1 1 323.465 4.173 20 30 DIEDMO C[N@@H+](Cc1ccccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273400112 130117475 /nfs/dbraw/zinc/11/74/75/130117475.db2.gz GSNRFUKNSUSZFV-VQTJNVASSA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273400110 130117587 /nfs/dbraw/zinc/11/75/87/130117587.db2.gz GSNRFUKNSUSZFV-UXHICEINSA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273557070 130136805 /nfs/dbraw/zinc/13/68/05/130136805.db2.gz WALARZKMSNELTK-PMACEKPBSA-N 1 1 324.399 4.049 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000288788393 131339293 /nfs/dbraw/zinc/33/92/93/131339293.db2.gz JZONJHSMMFNAJH-OKILXGFUSA-N 1 1 314.326 4.250 20 30 DIEDMO CC[N@H+](Cc1nc2ccccc2n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299635219 132113894 /nfs/dbraw/zinc/11/38/94/132113894.db2.gz ZIXBRTODDUYJOP-HNNXBMFYSA-N 1 1 318.424 4.028 20 30 DIEDMO CC[N@@H+](Cc1nc2ccccc2n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299635219 132113896 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CC(C)C[C@H]1CCCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410381752 332121309 /nfs/dbraw/zinc/12/13/09/332121309.db2.gz KIDTWOKQEOGNJS-GOSISDBHSA-N 1 1 306.494 4.378 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093221473 332135937 /nfs/dbraw/zinc/13/59/37/332135937.db2.gz PDNYRUJOTBLTSJ-UHFFFAOYSA-N 1 1 305.425 4.047 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333922 332191931 /nfs/dbraw/zinc/19/19/31/332191931.db2.gz CDXPAIOKKRUDPR-GOSISDBHSA-N 1 1 319.408 4.334 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](c1nc(-c2ccccc2)no1)c1ccccc1 ZINC000181333922 332191933 /nfs/dbraw/zinc/19/19/33/332191933.db2.gz CDXPAIOKKRUDPR-GOSISDBHSA-N 1 1 319.408 4.334 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc3ccc(C)cc3o2)CC1 ZINC000426070722 335098277 /nfs/dbraw/zinc/09/82/77/335098277.db2.gz PEMUFCREPWPMHC-INIZCTEOSA-N 1 1 312.457 4.432 20 30 DIEDMO N#CCSCCC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000152500896 332303811 /nfs/dbraw/zinc/30/38/11/332303811.db2.gz 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COc1ccc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)cc1OC ZINC000174863191 333092029 /nfs/dbraw/zinc/09/20/29/333092029.db2.gz IERGFKWSDVSZAY-MRXNPFEDSA-N 1 1 316.445 4.171 20 30 DIEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000487389274 333131218 /nfs/dbraw/zinc/13/12/18/333131218.db2.gz GSMLJTGCENCDBC-QGZVFWFLSA-N 1 1 302.487 4.061 20 30 DIEDMO CCc1cc(CCC[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)on1 ZINC000516656792 333141510 /nfs/dbraw/zinc/14/15/10/333141510.db2.gz OSABQRUFQYSDBS-OAHLLOKOSA-N 1 1 311.429 4.124 20 30 DIEDMO N#CC1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000179605623 333153272 /nfs/dbraw/zinc/15/32/72/333153272.db2.gz HVKZFTGFHORXRS-INIZCTEOSA-N 1 1 319.246 4.062 20 30 DIEDMO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1F ZINC000180262210 333159948 /nfs/dbraw/zinc/15/99/48/333159948.db2.gz GPCHVQRUFVHWRQ-BLLLJJGKSA-N 1 1 307.800 4.209 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cc(OC)c(OC)cc1-c1ccccc1 ZINC000497260854 333229188 /nfs/dbraw/zinc/22/91/88/333229188.db2.gz 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CC(C)(C#N)CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000271993212 334029340 /nfs/dbraw/zinc/02/93/40/334029340.db2.gz FMXUSPIZQPMTGI-CVEARBPZSA-N 1 1 320.502 4.356 20 30 DIEDMO C[C@H]1C[C@H](Nc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000273769953 334050892 /nfs/dbraw/zinc/05/08/92/334050892.db2.gz QNNREZFMGUVOCB-LAUBAEHRSA-N 1 1 319.452 4.218 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]nc1-c1ccsc1 ZINC000437589373 334054530 /nfs/dbraw/zinc/05/45/30/334054530.db2.gz LANQZDYZGRSMJH-UHFFFAOYSA-N 1 1 315.467 4.388 20 30 DIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCC[C@@H](C#N)C3)n2)cc1 ZINC000278416735 334096097 /nfs/dbraw/zinc/09/60/97/334096097.db2.gz QXKSIILTEVMMAE-YSVLISHTSA-N 1 1 324.428 4.032 20 30 DIEDMO CC1(c2ccc(Cl)cc2)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000279387754 334108505 /nfs/dbraw/zinc/10/85/05/334108505.db2.gz UBKLXRFJPNDKDP-OAHLLOKOSA-N 1 1 315.848 4.137 20 30 DIEDMO C[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280893661 334120834 /nfs/dbraw/zinc/12/08/34/334120834.db2.gz DIMQOXOLRMRWFV-YLJYHZDGSA-N 1 1 319.452 4.075 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281958305 334129915 /nfs/dbraw/zinc/12/99/15/334129915.db2.gz KEHQVIKJUQXDDZ-CQSZACIVSA-N 1 1 322.399 4.058 20 30 DIEDMO N#CC1(CCC[N@@H+](Cc2ccco2)C2CCCC2)CCOCC1 ZINC000282142958 334132046 /nfs/dbraw/zinc/13/20/46/334132046.db2.gz ZQQXMWZZVSENPQ-UHFFFAOYSA-N 1 1 316.445 4.125 20 30 DIEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1c1cccs1 ZINC000286927149 334155125 /nfs/dbraw/zinc/15/51/25/334155125.db2.gz KWYHSPYZZCGZRK-INIZCTEOSA-N 1 1 318.486 4.232 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000289554527 334166541 /nfs/dbraw/zinc/16/65/41/334166541.db2.gz XKQKTLSHKCXVPW-FQEVSTJZSA-N 1 1 324.424 4.181 20 30 DIEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@@H](C)c1cccnc1 ZINC000290392322 334172622 /nfs/dbraw/zinc/17/26/22/334172622.db2.gz IYESRKBJYRCYIV-KRWDZBQOSA-N 1 1 322.456 4.015 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C1 ZINC000292827701 334193094 /nfs/dbraw/zinc/19/30/94/334193094.db2.gz ONQVFEZDTCPABT-CZUORRHYSA-N 1 1 309.388 4.088 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000218270472 334244707 /nfs/dbraw/zinc/24/47/07/334244707.db2.gz NLTSUTMDJCPCAE-CYBMUJFWSA-N 1 1 303.381 4.143 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000218270472 334244709 /nfs/dbraw/zinc/24/47/09/334244709.db2.gz NLTSUTMDJCPCAE-CYBMUJFWSA-N 1 1 303.381 4.143 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000298360796 334248007 /nfs/dbraw/zinc/24/80/07/334248007.db2.gz FZCHTENOUHBGIF-IAGOWNOFSA-N 1 1 324.472 4.489 20 30 DIEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187669046 334268625 /nfs/dbraw/zinc/26/86/25/334268625.db2.gz PPMOXFDEEMYCGP-KXBFYZLASA-N 1 1 306.409 4.117 20 30 DIEDMO C=CC1CC[NH+]([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000111256496 334314526 /nfs/dbraw/zinc/31/45/26/334314526.db2.gz MUNUDWBHFQTGBJ-GFCCVEGCSA-N 1 1 305.372 4.390 20 30 DIEDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000303723447 334329605 /nfs/dbraw/zinc/32/96/05/334329605.db2.gz SEASSIFNJAAPJR-INIZCTEOSA-N 1 1 308.425 4.192 20 30 DIEDMO CC(C)C[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000049442270 334334367 /nfs/dbraw/zinc/33/43/67/334334367.db2.gz RCAKMTULYQPVFC-UHFFFAOYSA-N 1 1 309.460 4.047 20 30 DIEDMO COCc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000535072177 334364389 /nfs/dbraw/zinc/36/43/89/334364389.db2.gz VBTNBYBKECCILQ-UHFFFAOYSA-N 1 1 322.452 4.363 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc2ccccc12 ZINC000535085523 334367335 /nfs/dbraw/zinc/36/73/35/334367335.db2.gz XQGXGDHPSQKTPZ-UHFFFAOYSA-N 1 1 313.404 4.295 20 30 DIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2csc(CC)n2)cc1 ZINC000162323967 334905107 /nfs/dbraw/zinc/90/51/07/334905107.db2.gz BRZVPMUSRBTLKW-KBPBESRZSA-N 1 1 314.454 4.129 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 ZINC000345028580 335293187 /nfs/dbraw/zinc/29/31/87/335293187.db2.gz MHLWNGWJQFAVQF-HNNXBMFYSA-N 1 1 309.335 4.226 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000345711439 335345106 /nfs/dbraw/zinc/34/51/06/335345106.db2.gz MCABXZGSDABHRU-CQSZACIVSA-N 1 1 317.502 4.141 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000345878867 335357635 /nfs/dbraw/zinc/35/76/35/335357635.db2.gz BNBUHSOOUJEFPQ-ZDUSSCGKSA-N 1 1 314.351 4.098 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccccc1 ZINC000444678327 338481738 /nfs/dbraw/zinc/48/17/38/338481738.db2.gz WEHLLALZMPYWND-LJQANCHMSA-N 1 1 318.424 4.064 20 30 DIEDMO COc1cccc(C=C2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000535816894 335785753 /nfs/dbraw/zinc/78/57/53/335785753.db2.gz LOYWTPFPIMERCK-UHFFFAOYSA-N 1 1 324.449 4.308 20 30 DIEDMO CC(C)c1nnc(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)s1 ZINC000330305005 336146107 /nfs/dbraw/zinc/14/61/07/336146107.db2.gz QINFGCUUCGMJKY-ZDUSSCGKSA-N 1 1 322.478 4.047 20 30 DIEDMO CC(C)c1nnc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)s1 ZINC000330305005 336146109 /nfs/dbraw/zinc/14/61/09/336146109.db2.gz QINFGCUUCGMJKY-ZDUSSCGKSA-N 1 1 322.478 4.047 20 30 DIEDMO CCC1(CC)CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000332246352 336164658 /nfs/dbraw/zinc/16/46/58/336164658.db2.gz XBSYAALSRBJDOP-QGZVFWFLSA-N 1 1 313.445 4.427 20 30 DIEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332695802 336179255 /nfs/dbraw/zinc/17/92/55/336179255.db2.gz VAVBJGNHYZAWJL-RDJZCZTQSA-N 1 1 324.428 4.009 20 30 DIEDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CCCCC#N ZINC000351950317 336182467 /nfs/dbraw/zinc/18/24/67/336182467.db2.gz DIMIHJWDLBDXLK-GFCCVEGCSA-N 1 1 307.235 4.062 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2ccoc2C)ccc1OC ZINC000352669709 336229595 /nfs/dbraw/zinc/22/95/95/336229595.db2.gz AXDAWCLWLFLZIG-UHFFFAOYSA-N 1 1 315.413 4.184 20 30 DIEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000103140776 336239537 /nfs/dbraw/zinc/23/95/37/336239537.db2.gz OHYOWEXTKWAPQN-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000103140776 336239538 /nfs/dbraw/zinc/23/95/38/336239538.db2.gz OHYOWEXTKWAPQN-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000103140773 336239543 /nfs/dbraw/zinc/23/95/43/336239543.db2.gz OHYOWEXTKWAPQN-AWEZNQCLSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000103140773 336239544 /nfs/dbraw/zinc/23/95/44/336239544.db2.gz OHYOWEXTKWAPQN-AWEZNQCLSA-N 1 1 307.372 4.152 20 30 DIEDMO CCCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC)cc1 ZINC000352823187 336258022 /nfs/dbraw/zinc/25/80/22/336258022.db2.gz MQTCIFJZLZBMER-INIZCTEOSA-N 1 1 315.442 4.044 20 30 DIEDMO CCCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC)cc1 ZINC000352823188 336258083 /nfs/dbraw/zinc/25/80/83/336258083.db2.gz MQTCIFJZLZBMER-MRXNPFEDSA-N 1 1 315.442 4.044 20 30 DIEDMO CC(C)Sc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352831803 336269806 /nfs/dbraw/zinc/26/98/06/336269806.db2.gz CLNQBYYXGQIARW-LBPRGKRZSA-N 1 1 317.483 4.366 20 30 DIEDMO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1ccc(C#N)cc1 ZINC000325122933 336279773 /nfs/dbraw/zinc/27/97/73/336279773.db2.gz YHFVETVXEWXTPX-IIBYNOLFSA-N 1 1 313.404 4.393 20 30 DIEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000301440159 336306929 /nfs/dbraw/zinc/30/69/29/336306929.db2.gz UADIMPCRMVWGID-YJBOKZPZSA-N 1 1 311.454 4.115 20 30 DIEDMO COc1cccc2c(NCc3cc(C#N)ccc3F)cc(C)[nH+]c12 ZINC000301690863 336323742 /nfs/dbraw/zinc/32/37/42/336323742.db2.gz WIOAOZVIERCINV-UHFFFAOYSA-N 1 1 321.355 4.175 20 30 DIEDMO CC[N@@H+](C)Cc1cccc(CNc2c(Cl)cccc2C#N)c1 ZINC000301988620 336341669 /nfs/dbraw/zinc/34/16/69/336341669.db2.gz NUJGTUKPYLXTHQ-UHFFFAOYSA-N 1 1 313.832 4.275 20 30 DIEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c2ccccc21 ZINC000352901366 336375413 /nfs/dbraw/zinc/37/54/13/336375413.db2.gz RLOBYKAFMBNHPU-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C2CCC2)s1 ZINC000352932171 336378051 /nfs/dbraw/zinc/37/80/51/336378051.db2.gz PJHDCGMSOUGVDH-UHFFFAOYSA-N 1 1 302.443 4.234 20 30 DIEDMO C=CCCC1(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000356264307 336543173 /nfs/dbraw/zinc/54/31/73/336543173.db2.gz CQEXPPWTOADOHV-HNNXBMFYSA-N 1 1 323.440 4.104 20 30 DIEDMO C=CCCC1(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC1 ZINC000357961696 336604568 /nfs/dbraw/zinc/60/45/68/336604568.db2.gz NJTDPKHEACKDDF-UHFFFAOYSA-N 1 1 306.837 4.087 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000358431198 336629629 /nfs/dbraw/zinc/62/96/29/336629629.db2.gz IRZZPDXAEVEEQV-ZDUSSCGKSA-N 1 1 305.356 4.096 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@@H](c2cccc(C)c2)c2ccccn2)cc1 ZINC000367317345 336637884 /nfs/dbraw/zinc/63/78/84/336637884.db2.gz KBIZTTCRYPOYOW-QFIPXVFZSA-N 1 1 312.416 4.251 20 30 DIEDMO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc2)cs1 ZINC000358880556 336645951 /nfs/dbraw/zinc/64/59/51/336645951.db2.gz XUXYBJUEQVOHFV-UKRRQHHQSA-N 1 1 324.453 4.213 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(F)c(F)c1 ZINC000359968296 336695926 /nfs/dbraw/zinc/69/59/26/336695926.db2.gz AZOIPBXLNPKQEH-SGTLLEGYSA-N 1 1 317.383 4.340 20 30 DIEDMO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000375401003 337010404 /nfs/dbraw/zinc/01/04/04/337010404.db2.gz CGSHPOPZYXZWIO-GOEBONIOSA-N 1 1 306.475 4.230 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccsc2)O1 ZINC000375401003 337010405 /nfs/dbraw/zinc/01/04/05/337010405.db2.gz CGSHPOPZYXZWIO-GOEBONIOSA-N 1 1 306.475 4.230 20 30 DIEDMO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000375401005 337010480 /nfs/dbraw/zinc/01/04/80/337010480.db2.gz CGSHPOPZYXZWIO-HOCLYGCPSA-N 1 1 306.475 4.230 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000375401005 337010481 /nfs/dbraw/zinc/01/04/81/337010481.db2.gz CGSHPOPZYXZWIO-HOCLYGCPSA-N 1 1 306.475 4.230 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCC[C@@H]2c2ccccc2)CCOCC1 ZINC000375625581 337015078 /nfs/dbraw/zinc/01/50/78/337015078.db2.gz PDMHUKFCJLDVSO-LJQANCHMSA-N 1 1 312.457 4.314 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ncc[nH]1 ZINC000375896941 337022652 /nfs/dbraw/zinc/02/26/52/337022652.db2.gz BPBKOHBEOIFXSO-HUUCEWRRSA-N 1 1 316.408 4.360 20 30 DIEDMO CCCCCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376533402 337036123 /nfs/dbraw/zinc/03/61/23/337036123.db2.gz RAWHCARAPRDESF-HZPDHXFCSA-N 1 1 321.465 4.419 20 30 DIEDMO CCCCCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000376533402 337036124 /nfs/dbraw/zinc/03/61/24/337036124.db2.gz RAWHCARAPRDESF-HZPDHXFCSA-N 1 1 321.465 4.419 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@H](c2ccc(C)cc2)c2ccccn2)cc1 ZINC000377717257 337059513 /nfs/dbraw/zinc/05/95/13/337059513.db2.gz NVNQIXPQVGFZCE-JOCHJYFZSA-N 1 1 312.416 4.251 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000582748267 337133045 /nfs/dbraw/zinc/13/30/45/337133045.db2.gz DYLIMYWYABJESG-OAQYLSRUSA-N 1 1 320.436 4.488 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1F ZINC000174265505 337140134 /nfs/dbraw/zinc/14/01/34/337140134.db2.gz LALKIIBXHPQELJ-QGZVFWFLSA-N 1 1 304.315 4.216 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000174818900 337142353 /nfs/dbraw/zinc/14/23/53/337142353.db2.gz JGVQQPQQSWGGBZ-HNNXBMFYSA-N 1 1 311.429 4.337 20 30 DIEDMO CC(C)C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C(C)C ZINC000179702644 337169104 /nfs/dbraw/zinc/16/91/04/337169104.db2.gz GLHFWGGFLZISGO-UHFFFAOYSA-N 1 1 324.472 4.330 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000582809045 337183941 /nfs/dbraw/zinc/18/39/41/337183941.db2.gz DMJQNWHYLMWKNT-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000186939138 337260507 /nfs/dbraw/zinc/26/05/07/337260507.db2.gz XZKMFKFDBOQGSL-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(Cl)cc1C#N ZINC000187327850 337264127 /nfs/dbraw/zinc/26/41/27/337264127.db2.gz GGSXLFORZBGSFU-UHFFFAOYSA-N 1 1 319.861 4.121 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(OC)cc1 ZINC000187403296 337265649 /nfs/dbraw/zinc/26/56/49/337265649.db2.gz RZXIOJYJZSDMGE-GOSISDBHSA-N 1 1 314.816 4.461 20 30 DIEDMO C=CCC1(C(=O)Nc2cccc3c2C[N@@H+](CC(C)C)C3)CCC1 ZINC000189621596 337280861 /nfs/dbraw/zinc/28/08/61/337280861.db2.gz OCVQGSCEOTZKJK-UHFFFAOYSA-N 1 1 312.457 4.343 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192039266 337302230 /nfs/dbraw/zinc/30/22/30/337302230.db2.gz CWYMMLSNPOVTIH-GFCCVEGCSA-N 1 1 317.433 4.218 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000193029890 337308949 /nfs/dbraw/zinc/30/89/49/337308949.db2.gz JRFOQYLCTNRIOI-KHYOSLBOSA-N 1 1 310.397 4.050 20 30 DIEDMO C=CCCCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000572233809 337599426 /nfs/dbraw/zinc/59/94/26/337599426.db2.gz IAQXVVCVLBYHRW-UHFFFAOYSA-N 1 1 317.433 4.255 20 30 DIEDMO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ncccc1F ZINC000528036485 337782587 /nfs/dbraw/zinc/78/25/87/337782587.db2.gz UHZHWFUODICREA-UGSOOPFHSA-N 1 1 309.388 4.211 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)cc1 ZINC000425949388 338019296 /nfs/dbraw/zinc/01/92/96/338019296.db2.gz FVEIKQJJDZBBHP-LJQANCHMSA-N 1 1 317.392 4.454 20 30 DIEDMO CC[C@](C)([NH2+]CC#Cc1ccc(Cl)cc1)c1nc(C)cs1 ZINC000426450794 338032397 /nfs/dbraw/zinc/03/23/97/338032397.db2.gz NTPASYDDIXQMIR-KRWDZBQOSA-N 1 1 318.873 4.371 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)Cc1ccsc1 ZINC000426459508 338032925 /nfs/dbraw/zinc/03/29/25/338032925.db2.gz KTTSKCYGAJMHQY-HNNXBMFYSA-N 1 1 301.430 4.192 20 30 DIEDMO Cc1nc(C(C)C)oc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000428348534 338048206 /nfs/dbraw/zinc/04/82/06/338048206.db2.gz UDSLCIAAHNNYPR-UHFFFAOYSA-N 1 1 309.413 4.143 20 30 DIEDMO Cc1nc(C(C)C)oc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000428348534 338048207 /nfs/dbraw/zinc/04/82/07/338048207.db2.gz UDSLCIAAHNNYPR-UHFFFAOYSA-N 1 1 309.413 4.143 20 30 DIEDMO Cc1cc([C@H]([NH2+]Cc2cccc(F)c2C#N)C2CC2)ccc1F ZINC000428355418 338048593 /nfs/dbraw/zinc/04/85/93/338048593.db2.gz PHCYCMAJCMQLKP-LJQANCHMSA-N 1 1 312.363 4.386 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)Cc1ccsc1 ZINC000428438290 338051598 /nfs/dbraw/zinc/05/15/98/338051598.db2.gz JTDTWBRULUMMOY-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000428447551 338051988 /nfs/dbraw/zinc/05/19/88/338051988.db2.gz OQYBEVFGMDBBRH-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H](C)c1ccc(F)cc1 ZINC000428447551 338051989 /nfs/dbraw/zinc/05/19/89/338051989.db2.gz OQYBEVFGMDBBRH-ZDUSSCGKSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@H]1C[C@@]1([NH2+]Cc1cccc(F)c1C#N)c1cccc(C)c1 ZINC000428967716 338067132 /nfs/dbraw/zinc/06/71/32/338067132.db2.gz XZGXPYBKSVFSMV-JXFKEZNVSA-N 1 1 308.400 4.421 20 30 DIEDMO N#C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000429028723 338069410 /nfs/dbraw/zinc/06/94/10/338069410.db2.gz MSBZJOXWAJXUIG-UAGQMJEPSA-N 1 1 304.384 4.051 20 30 DIEDMO CC[N@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000429043934 338069646 /nfs/dbraw/zinc/06/96/46/338069646.db2.gz GUAMHHSOVFTFRT-UHFFFAOYSA-N 1 1 317.230 4.338 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1cccc2c(Br)cccc12 ZINC000429043934 338069647 /nfs/dbraw/zinc/06/96/47/338069647.db2.gz GUAMHHSOVFTFRT-UHFFFAOYSA-N 1 1 317.230 4.338 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000448455966 338070690 /nfs/dbraw/zinc/07/06/90/338070690.db2.gz WYMWWTCLAKTUFF-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000448455966 338070691 /nfs/dbraw/zinc/07/06/91/338070691.db2.gz WYMWWTCLAKTUFF-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429573617 338084656 /nfs/dbraw/zinc/08/46/56/338084656.db2.gz BIOYDHCLMWVNNB-HUUCEWRRSA-N 1 1 318.486 4.024 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429573615 338084715 /nfs/dbraw/zinc/08/47/15/338084715.db2.gz BIOYDHCLMWVNNB-CABCVRRESA-N 1 1 318.486 4.024 20 30 DIEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCCC#N)ccc1Br ZINC000430218911 338101957 /nfs/dbraw/zinc/10/19/57/338101957.db2.gz MZLUDFPEMABTDN-HNNXBMFYSA-N 1 1 307.235 4.198 20 30 DIEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCC#N)ccc1Br ZINC000430218911 338101958 /nfs/dbraw/zinc/10/19/58/338101958.db2.gz MZLUDFPEMABTDN-HNNXBMFYSA-N 1 1 307.235 4.198 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000432225738 338149011 /nfs/dbraw/zinc/14/90/11/338149011.db2.gz FKKKMRZRJPHTRJ-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000433013083 338176185 /nfs/dbraw/zinc/17/61/85/338176185.db2.gz WKILZGMDJHFTLX-INIZCTEOSA-N 1 1 323.371 4.492 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1nc2ccccc2o1)c1ccccc1 ZINC000433028913 338177160 /nfs/dbraw/zinc/17/71/60/338177160.db2.gz QKLCRNDSHACGEV-MRXNPFEDSA-N 1 1 305.381 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ZINC000462332309 339076014 /nfs/dbraw/zinc/07/60/14/339076014.db2.gz GBSGDTYHBPCDOQ-QGZVFWFLSA-N 1 1 309.457 4.210 20 30 DIEDMO C[C@H](CNc1c(Cl)cccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000462838211 339093634 /nfs/dbraw/zinc/09/36/34/339093634.db2.gz JIHUUHQFZVHYFS-CQSZACIVSA-N 1 1 313.832 4.144 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463035844 339102096 /nfs/dbraw/zinc/10/20/96/339102096.db2.gz PVVADJCAEZOAMF-OLZOCXBDSA-N 1 1 302.365 4.173 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463203500 339109300 /nfs/dbraw/zinc/10/93/00/339109300.db2.gz KKWVZFKFDTVGSP-LBPRGKRZSA-N 1 1 321.218 4.131 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccc(Br)cc2o1 ZINC000463203500 339109301 /nfs/dbraw/zinc/10/93/01/339109301.db2.gz KKWVZFKFDTVGSP-LBPRGKRZSA-N 1 1 321.218 4.131 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000463225891 339110540 /nfs/dbraw/zinc/11/05/40/339110540.db2.gz ROVSSNVXJLJVPX-HXUWFJFHSA-N 1 1 320.436 4.225 20 30 DIEDMO Cn1c2ccc(N[C@H]3CCC[C@@H](C#N)C3)cc2[nH+]c1C(C)(C)C ZINC000463245533 339111753 /nfs/dbraw/zinc/11/17/53/339111753.db2.gz DWZNKQCFSANFLX-KGLIPLIRSA-N 1 1 310.445 4.365 20 30 DIEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463446896 339118227 /nfs/dbraw/zinc/11/82/27/339118227.db2.gz UIJJOZFHWGLXJY-HIFRSBDPSA-N 1 1 314.326 4.250 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000464582847 339146015 /nfs/dbraw/zinc/14/60/15/339146015.db2.gz ADMUUQXNLZUTKL-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1cccc(C#N)c1F ZINC000464593724 339146719 /nfs/dbraw/zinc/14/67/19/339146719.db2.gz NPPLEIOSOVUYLF-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729229 339150269 /nfs/dbraw/zinc/15/02/69/339150269.db2.gz ZXWWGNHTZWWUAK-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000464729229 339150270 /nfs/dbraw/zinc/15/02/70/339150270.db2.gz 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COc1cccc(C2([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000552320968 341386381 /nfs/dbraw/zinc/38/63/81/341386381.db2.gz IJWDPNVVVJOWGQ-CYBMUJFWSA-N 1 1 310.372 4.046 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000249088405 341393580 /nfs/dbraw/zinc/39/35/80/341393580.db2.gz CLPDEADENOLPBR-OXJNMPFZSA-N 1 1 305.425 4.196 20 30 DIEDMO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249143776 341394666 /nfs/dbraw/zinc/39/46/66/341394666.db2.gz YNNBKZPADOTYFB-XLIONFOSSA-N 1 1 320.521 4.092 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249444321 341397633 /nfs/dbraw/zinc/39/76/33/341397633.db2.gz KRHHOWQLAJQAFN-GUXCAODWSA-N 1 1 306.409 4.081 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000249444321 341397634 /nfs/dbraw/zinc/39/76/34/341397634.db2.gz KRHHOWQLAJQAFN-GUXCAODWSA-N 1 1 306.409 4.081 20 30 DIEDMO CC(C)COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181644243 519757517 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Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)cc1Br ZINC001238280464 1054581840 /nfs/dbraw/zinc/58/18/40/1054581840.db2.gz BJJBSHWTWKVVSB-CQSZACIVSA-N 1 1 321.262 4.192 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@H+](C)C[C@@H](C)CCC#N ZINC001560671480 1060498862 /nfs/dbraw/zinc/49/88/62/1060498862.db2.gz GFRHPIKWEUTYQW-QWHCGFSZSA-N 1 1 309.251 4.382 20 30 DIEDMO N#CCCCOc1cccc(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000339429231 1035565800 /nfs/dbraw/zinc/56/58/00/1035565800.db2.gz OFAJIRUMMGIYDW-UHFFFAOYSA-N 1 1 307.397 4.254 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1c1ccccc1 ZINC000610216076 1035748933 /nfs/dbraw/zinc/74/89/33/1035748933.db2.gz IYYMCWXMWVCDAB-YWZLYKJASA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[C@@H]1c1ccccc1 ZINC000610216097 1035753305 /nfs/dbraw/zinc/75/33/05/1035753305.db2.gz LGLXTBMXODATSC-UWJYYQICSA-N 1 1 320.436 4.063 20 30 DIEDMO C#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCC(C)CC2)cc1 ZINC001167073054 1035771444 /nfs/dbraw/zinc/77/14/44/1035771444.db2.gz 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1039255893 /nfs/dbraw/zinc/25/58/93/1039255893.db2.gz JKXDOOUPIRXTEV-UHFFFAOYSA-N 1 1 317.436 4.275 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000539569663 1039293851 /nfs/dbraw/zinc/29/38/51/1039293851.db2.gz MYOLJAQCHDEHRC-CYBMUJFWSA-N 1 1 308.828 4.426 20 30 DIEDMO Cn1c2ccc(NCc3ccc(C#N)cc3)cc2[nH+]c1C(C)(C)C ZINC000539710004 1039323123 /nfs/dbraw/zinc/32/31/23/1039323123.db2.gz GLFMDEMSHVODIT-UHFFFAOYSA-N 1 1 318.424 4.355 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(C#N)cc1F ZINC000443209768 1039326898 /nfs/dbraw/zinc/32/68/98/1039326898.db2.gz UENXGWBLGYJPPD-DIFFPNOSSA-N 1 1 314.335 4.011 20 30 DIEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)CC2(C#N)CC2)C(C)(C)O1 ZINC000539763443 1039332362 /nfs/dbraw/zinc/33/23/62/1039332362.db2.gz PGHQUPUOMZDECM-QGZVFWFLSA-N 1 1 312.457 4.138 20 30 DIEDMO CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000539825362 1039343386 /nfs/dbraw/zinc/34/33/86/1039343386.db2.gz TYQAYYICUSMOMS-LEWJYISDSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000539825362 1039343404 /nfs/dbraw/zinc/34/34/04/1039343404.db2.gz TYQAYYICUSMOMS-LEWJYISDSA-N 1 1 320.436 4.357 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COCC)C2)cc1Cl ZINC000539826451 1039354936 /nfs/dbraw/zinc/35/49/36/1039354936.db2.gz SAIRFEDDRSLWKF-INIZCTEOSA-N 1 1 323.864 4.153 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000539830849 1039362302 /nfs/dbraw/zinc/36/23/02/1039362302.db2.gz ZBEPNPLTXFZMBR-INIZCTEOSA-N 1 1 311.425 4.020 20 30 DIEDMO C=CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000539837487 1039365388 /nfs/dbraw/zinc/36/53/88/1039365388.db2.gz FVHFGRAAWOTINX-UHFFFAOYSA-N 1 1 317.351 4.034 20 30 DIEDMO N#CC1CC[NH+](Cc2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000157168896 1039400301 /nfs/dbraw/zinc/40/03/01/1039400301.db2.gz GAAZKAIXKPWBDP-UHFFFAOYSA-N 1 1 310.372 4.354 20 30 DIEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000157839754 1039475356 /nfs/dbraw/zinc/47/53/56/1039475356.db2.gz 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DIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(C(F)(F)F)c1 ZINC000122482132 1039766898 /nfs/dbraw/zinc/76/68/98/1039766898.db2.gz KQHGZULQVNLGCM-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(C(F)(F)F)c1 ZINC000122482132 1039766912 /nfs/dbraw/zinc/76/69/12/1039766912.db2.gz KQHGZULQVNLGCM-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(C(C)(C)C)cs1 ZINC000491370006 1039838330 /nfs/dbraw/zinc/83/83/30/1039838330.db2.gz XOSVJOFMRYSFGM-UHFFFAOYSA-N 1 1 304.459 4.264 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(C(C)(C)C)cs1 ZINC000491370006 1039838349 /nfs/dbraw/zinc/83/83/49/1039838349.db2.gz XOSVJOFMRYSFGM-UHFFFAOYSA-N 1 1 304.459 4.264 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(SC)c(OC)c1)c1ccc(F)cc1 ZINC000491732204 1039873992 /nfs/dbraw/zinc/87/39/92/1039873992.db2.gz HGTNNWBZRATGLB-MRXNPFEDSA-N 1 1 315.413 4.020 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(Cl)cc1 ZINC000491809069 1039881237 /nfs/dbraw/zinc/88/12/37/1039881237.db2.gz FWMSHLRKSGGGRK-LIRRHRJNSA-N 1 1 324.811 4.095 20 30 DIEDMO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000271924289 1039901365 /nfs/dbraw/zinc/90/13/65/1039901365.db2.gz GAJAEWQHTWFZAE-LBPRGKRZSA-N 1 1 315.392 4.440 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCSCC#N ZINC000175438384 1040032839 /nfs/dbraw/zinc/03/28/39/1040032839.db2.gz VJQLJSCXKQKZDB-KBPBESRZSA-N 1 1 310.894 4.411 20 30 DIEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000611941992 1040103999 /nfs/dbraw/zinc/10/39/99/1040103999.db2.gz NVYZSOFAAYHQIO-HXUWFJFHSA-N 1 1 320.436 4.226 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1c(OC)cccc1OC)c1ccco1 ZINC000658119516 1040318289 /nfs/dbraw/zinc/31/82/89/1040318289.db2.gz ORBLUYFIKBGEIN-HNNXBMFYSA-N 1 1 301.386 4.094 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ncc(C(F)(F)F)cc1Cl ZINC000926612903 1040325091 /nfs/dbraw/zinc/32/50/91/1040325091.db2.gz BGLIVKSPPSQXHF-WCABBAIRSA-N 1 1 317.742 4.097 20 30 DIEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 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314.335 4.011 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000365489977 1040658871 /nfs/dbraw/zinc/65/88/71/1040658871.db2.gz GTAUFUDSBBDPTJ-GOSISDBHSA-N 1 1 317.392 4.454 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)s1 ZINC000180045270 1040727900 /nfs/dbraw/zinc/72/79/00/1040727900.db2.gz UKYBEVKDZFXEPK-UHFFFAOYSA-N 1 1 319.433 4.390 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379021 1040776353 /nfs/dbraw/zinc/77/63/53/1040776353.db2.gz QRORRJZFBMMAHL-STQMWFEESA-N 1 1 303.431 4.147 20 30 DIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)cc1 ZINC000613130350 1040796960 /nfs/dbraw/zinc/79/69/60/1040796960.db2.gz NWDNSQSJSPTKGZ-IBGZPJMESA-N 1 1 319.452 4.141 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000414158491 1040935051 /nfs/dbraw/zinc/93/50/51/1040935051.db2.gz ADBYFESTULDQMF-IBGZPJMESA-N 1 1 319.408 4.447 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143467994 1041043321 /nfs/dbraw/zinc/04/33/21/1041043321.db2.gz AERHIHAZXUREQA-ZDUSSCGKSA-N 1 1 312.335 4.019 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000809542430 1041184238 /nfs/dbraw/zinc/18/42/38/1041184238.db2.gz GLBUWLHYMPKYNC-LJQANCHMSA-N 1 1 321.420 4.022 20 30 DIEDMO C[C@H](Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1)c1cccc(C#N)c1 ZINC001167707146 1041265450 /nfs/dbraw/zinc/26/54/50/1041265450.db2.gz GSUJCZTUODHYHS-KXBFYZLASA-N 1 1 320.440 4.283 20 30 DIEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000756061499 1041295298 /nfs/dbraw/zinc/29/52/98/1041295298.db2.gz JEJDISWHEGOVPB-HNNXBMFYSA-N 1 1 307.846 4.036 20 30 DIEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000756061499 1041295312 /nfs/dbraw/zinc/29/53/12/1041295312.db2.gz JEJDISWHEGOVPB-HNNXBMFYSA-N 1 1 307.846 4.036 20 30 DIEDMO C=CCC1(c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CCCCC1 ZINC000651251371 1041512699 /nfs/dbraw/zinc/51/26/99/1041512699.db2.gz SVRXRSKKUPIZAA-MQVJKMGUSA-N 1 1 315.461 4.188 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000811517407 1041529248 /nfs/dbraw/zinc/52/92/48/1041529248.db2.gz RKFAWPWPZYXYKU-MRXNPFEDSA-N 1 1 314.772 4.021 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000811516945 1041530274 /nfs/dbraw/zinc/53/02/74/1041530274.db2.gz ZMDLFCPGCOSKQN-GOSISDBHSA-N 1 1 306.796 4.352 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 ZINC000811516528 1041530619 /nfs/dbraw/zinc/53/06/19/1041530619.db2.gz OKSSXOWAKZUIOD-INIZCTEOSA-N 1 1 321.754 4.406 20 30 DIEDMO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000811516935 1041530633 /nfs/dbraw/zinc/53/06/33/1041530633.db2.gz YWQKEAATCSMZGM-KRWDZBQOSA-N 1 1 314.772 4.021 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(OC(F)F)c1)c1ccc(Cl)cc1 ZINC000811517643 1041530802 /nfs/dbraw/zinc/53/08/02/1041530802.db2.gz YCVRMFXSOKYIOO-MRXNPFEDSA-N 1 1 321.754 4.406 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)cc1 ZINC001170684215 1041640320 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Cc1cccc(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1C ZINC000814170339 1041782827 /nfs/dbraw/zinc/78/28/27/1041782827.db2.gz VRKWXEZTNKZOPR-INIZCTEOSA-N 1 1 308.425 4.226 20 30 DIEDMO Cc1cccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)c1C ZINC000814169947 1041783212 /nfs/dbraw/zinc/78/32/12/1041783212.db2.gz OSJBOHRLDZCNHW-UHFFFAOYSA-N 1 1 321.468 4.285 20 30 DIEDMO C[C@]1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1(Cl)Cl ZINC000828589206 1041799570 /nfs/dbraw/zinc/79/95/70/1041799570.db2.gz GEXNDYXTAQSSTA-MRXNPFEDSA-N 1 1 321.251 4.231 20 30 DIEDMO CCCCCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001134437644 1041832597 /nfs/dbraw/zinc/83/25/97/1041832597.db2.gz HDLKNHVTUUXXIL-UHFFFAOYSA-N 1 1 303.450 4.371 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)C1 ZINC000815090718 1041908755 /nfs/dbraw/zinc/90/87/55/1041908755.db2.gz KUQQOOAJBOEXIJ-XNRPHZJLSA-N 1 1 308.347 4.187 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815092596 1041912487 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CCCCCCCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001170803981 1041996472 /nfs/dbraw/zinc/99/64/72/1041996472.db2.gz LAXUIYVQEPQCHR-LJQANCHMSA-N 1 1 300.490 4.484 20 30 DIEDMO CCCCCCCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001170803979 1041996689 /nfs/dbraw/zinc/99/66/89/1041996689.db2.gz LAXUIYVQEPQCHR-IBGZPJMESA-N 1 1 300.490 4.484 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000662078093 1042057932 /nfs/dbraw/zinc/05/79/32/1042057932.db2.gz AJJSMAHJSLPZNL-KFWWJZLASA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2cccs2)no1 ZINC000662078654 1042057961 /nfs/dbraw/zinc/05/79/61/1042057961.db2.gz FIUNUUJIVFPEEQ-UPJWGTAASA-N 1 1 301.415 4.042 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1coc(-c2ccc(OCC)cc2)n1 ZINC000662087540 1042058721 /nfs/dbraw/zinc/05/87/21/1042058721.db2.gz BWPPONMTRCRYHK-HDICACEKSA-N 1 1 324.424 4.423 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000662084645 1042059828 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CCc1c[nH]c2nc[nH+]c(N[C@@H](CCCC#N)c3ccccc3)c12 ZINC000893971755 1042399254 /nfs/dbraw/zinc/39/92/54/1042399254.db2.gz GJQRXXBQHVTIAD-INIZCTEOSA-N 1 1 319.412 4.367 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000614159695 1042418271 /nfs/dbraw/zinc/41/82/71/1042418271.db2.gz OKSPFZIGAAAQDL-HXUWFJFHSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000614159695 1042418272 /nfs/dbraw/zinc/41/82/72/1042418272.db2.gz OKSPFZIGAAAQDL-HXUWFJFHSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000614162900 1042418786 /nfs/dbraw/zinc/41/87/86/1042418786.db2.gz DJWHTHVGBPVPQT-LJQANCHMSA-N 1 1 304.437 4.477 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000614168864 1042419905 /nfs/dbraw/zinc/41/99/05/1042419905.db2.gz ZGCKNHJEHAQWBD-HXUWFJFHSA-N 1 1 320.436 4.061 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000614168864 1042419908 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Cc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000614397698 1042490231 /nfs/dbraw/zinc/49/02/31/1042490231.db2.gz QPBNMLGLODSUPK-UHFFFAOYSA-N 1 1 312.363 4.310 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1C ZINC000614397536 1042490829 /nfs/dbraw/zinc/49/08/29/1042490829.db2.gz CPCZNIJABHBUTA-UHFFFAOYSA-N 1 1 306.409 4.064 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1C ZINC000614397564 1042490917 /nfs/dbraw/zinc/49/09/17/1042490917.db2.gz FDVAHPKKIKVELU-UHFFFAOYSA-N 1 1 303.409 4.151 20 30 DIEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000265657254 1042493392 /nfs/dbraw/zinc/49/33/92/1042493392.db2.gz QFGPLZMSANLUSB-MAUKXSAKSA-N 1 1 306.409 4.117 20 30 DIEDMO N#Cc1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)ccn1 ZINC000614414984 1042494013 /nfs/dbraw/zinc/49/40/13/1042494013.db2.gz PPCYYHDXLLZZKO-NJDAHSKKSA-N 1 1 317.436 4.111 20 30 DIEDMO CCc1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C2CC2)cc1 ZINC000729266752 1042517043 /nfs/dbraw/zinc/51/70/43/1042517043.db2.gz CKUXKBLFEWUCFM-UHFFFAOYSA-N 1 1 320.436 4.316 20 30 DIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000729268342 1042517413 /nfs/dbraw/zinc/51/74/13/1042517413.db2.gz ZBRULTULGBMSFQ-AWEZNQCLSA-N 1 1 314.816 4.435 20 30 DIEDMO COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000151159181 1042531017 /nfs/dbraw/zinc/53/10/17/1042531017.db2.gz KCVODSONPFINRF-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000420952614 1042616962 /nfs/dbraw/zinc/61/69/62/1042616962.db2.gz SDIPVAQSWTZUFI-GFCCVEGCSA-N 1 1 316.754 4.376 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(Cl)c1 ZINC000420952614 1042616965 /nfs/dbraw/zinc/61/69/65/1042616965.db2.gz SDIPVAQSWTZUFI-GFCCVEGCSA-N 1 1 316.754 4.376 20 30 DIEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000421007533 1042619817 /nfs/dbraw/zinc/61/98/17/1042619817.db2.gz HNRFRMRTTUOFNT-HOTGVXAUSA-N 1 1 322.493 4.006 20 30 DIEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C3CCCCC3)cc2)nn1 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303.446 4.031 20 30 DIEDMO Cc1ccncc1CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000517057178 1042864662 /nfs/dbraw/zinc/86/46/62/1042864662.db2.gz JVJWWICXWYCMCO-RTWAWAEBSA-N 1 1 319.452 4.094 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894430774 1042957301 /nfs/dbraw/zinc/95/73/01/1042957301.db2.gz DJIUUYWLYLNPMB-UHFFFAOYSA-N 1 1 305.834 4.075 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000519908788 1043008089 /nfs/dbraw/zinc/00/80/89/1043008089.db2.gz QATXOQOSFWCGGH-UHFFFAOYSA-N 1 1 314.379 4.495 20 30 DIEDMO CCOc1ccc(C[N@@H+](Cc2ccccc2C#N)C(C)C)cc1 ZINC000520173032 1043020571 /nfs/dbraw/zinc/02/05/71/1043020571.db2.gz FUAPLTZPHMPTLU-UHFFFAOYSA-N 1 1 308.425 4.368 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000520198361 1043024220 /nfs/dbraw/zinc/02/42/20/1043024220.db2.gz AQUJRUVERJPFDZ-OAHLLOKOSA-N 1 1 308.347 4.113 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332920 1043038326 /nfs/dbraw/zinc/03/83/26/1043038326.db2.gz SGJCIQMHTAYGMR-YWZLYKJASA-N 1 1 324.399 4.159 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000441359138 1043038935 /nfs/dbraw/zinc/03/89/35/1043038935.db2.gz QGKRCUAXNMKYQC-LJQANCHMSA-N 1 1 310.416 4.459 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000441341515 1043039745 /nfs/dbraw/zinc/03/97/45/1043039745.db2.gz ODDJYJIECZHJCK-QRWLVFNGSA-N 1 1 324.399 4.159 20 30 DIEDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000441389429 1043043640 /nfs/dbraw/zinc/04/36/40/1043043640.db2.gz VKTDGESMJHKISD-UZLBHIALSA-N 1 1 320.436 4.225 20 30 DIEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1OCC ZINC000178533211 1043133323 /nfs/dbraw/zinc/13/33/23/1043133323.db2.gz DLYIQPJINHCJQA-HNNXBMFYSA-N 1 1 324.424 4.206 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000441469352 1043153563 /nfs/dbraw/zinc/15/35/63/1043153563.db2.gz ICFJDFQZGAMJOB-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)c1 ZINC000441469352 1043153574 /nfs/dbraw/zinc/15/35/74/1043153574.db2.gz ICFJDFQZGAMJOB-HXUWFJFHSA-N 1 1 323.415 4.100 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533804 1043156968 /nfs/dbraw/zinc/15/69/68/1043156968.db2.gz QSUVNVCDWMEIPM-RTWAWAEBSA-N 1 1 319.452 4.308 20 30 DIEDMO C[C@]1(c2ccccc2)CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC000189533804 1043156973 /nfs/dbraw/zinc/15/69/73/1043156973.db2.gz QSUVNVCDWMEIPM-RTWAWAEBSA-N 1 1 319.452 4.308 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866236121 1043163996 /nfs/dbraw/zinc/16/39/96/1043163996.db2.gz UIOVISZVVQWXQP-HUUCEWRRSA-N 1 1 324.424 4.463 20 30 DIEDMO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1ccc(F)cc1C#N ZINC000190453405 1043167651 /nfs/dbraw/zinc/16/76/51/1043167651.db2.gz RMQRBVXBHCJBNC-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(F)cc1C#N ZINC000190453405 1043167656 /nfs/dbraw/zinc/16/76/56/1043167656.db2.gz RMQRBVXBHCJBNC-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cc1C ZINC000487393738 1043192395 /nfs/dbraw/zinc/19/23/95/1043192395.db2.gz LYWOVGXTLNVZDF-UHFFFAOYSA-N 1 1 322.452 4.437 20 30 DIEDMO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000574766621 1043243611 /nfs/dbraw/zinc/24/36/11/1043243611.db2.gz UMVCBNVRVLENIE-HQQWDMGQSA-N 1 1 317.845 4.155 20 30 DIEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000267820987 1043308819 /nfs/dbraw/zinc/30/88/19/1043308819.db2.gz OVFFPJGRPDUFGL-QGZVFWFLSA-N 1 1 310.445 4.040 20 30 DIEDMO N#CC1(C[NH2+]Cc2cccc(Oc3ccccn3)c2)CCCC1 ZINC000895143264 1043328595 /nfs/dbraw/zinc/32/85/95/1043328595.db2.gz YSNRYSAYUADOQY-UHFFFAOYSA-N 1 1 307.397 4.047 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000795106258 1043339155 /nfs/dbraw/zinc/33/91/55/1043339155.db2.gz JKCDRDVUEZNIGJ-ICSRJNTNSA-N 1 1 322.537 4.317 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc2c1OCO2 ZINC000925601410 1043435127 /nfs/dbraw/zinc/43/51/27/1043435127.db2.gz LBSGSJRYFOIAIV-YOEHRIQHSA-N 1 1 308.381 4.111 20 30 DIEDMO C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000925602809 1043435782 /nfs/dbraw/zinc/43/57/82/1043435782.db2.gz XYMLOWHCNLSQLW-UTKZUKDTSA-N 1 1 321.468 4.444 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1C1CCC1 ZINC000925601607 1043436393 /nfs/dbraw/zinc/43/63/93/1043436393.db2.gz MFGNHIVMUBUDSU-QAPCUYQASA-N 1 1 308.429 4.304 20 30 DIEDMO COc1ccccc1[C@H]([NH2+][C@H](C)CC(C)(C)C#N)c1ccccn1 ZINC000925643750 1043443103 /nfs/dbraw/zinc/44/31/03/1043443103.db2.gz HDCBQOKSOBQIIA-BEFAXECRSA-N 1 1 323.440 4.098 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1c[nH]c2ccccc12 ZINC000442885216 1043447622 /nfs/dbraw/zinc/44/76/22/1043447622.db2.gz MYJJVKZHFYNGJN-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](c1cccc(F)c1)c1ccccn1 ZINC000925666584 1043450255 /nfs/dbraw/zinc/45/02/55/1043450255.db2.gz MSIIFCAQZMGIQX-KSSFIOAISA-N 1 1 311.404 4.228 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891506 1043450160 /nfs/dbraw/zinc/45/01/60/1043450160.db2.gz NJKXIBVWMYWGLC-CJNGLKHVSA-N 1 1 312.363 4.387 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000442891507 1043451838 /nfs/dbraw/zinc/45/18/38/1043451838.db2.gz NJKXIBVWMYWGLC-CZUORRHYSA-N 1 1 312.363 4.387 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cccc(O)c1F ZINC000872083687 1043454020 /nfs/dbraw/zinc/45/40/20/1043454020.db2.gz DSCXTLLVSBGONY-ZDUSSCGKSA-N 1 1 310.372 4.133 20 30 DIEDMO CC(C)C[N@@H+](CCOCCC#N)[C@@H](C)c1ccccc1Cl ZINC000339169998 1043457172 /nfs/dbraw/zinc/45/71/72/1043457172.db2.gz NGBTZRYKNSAIPV-HNNXBMFYSA-N 1 1 308.853 4.289 20 30 DIEDMO CSc1nnc(SC)n1[NH+]=CC[C@@H](C)CCC=C(C)C ZINC000872417298 1043496959 /nfs/dbraw/zinc/49/69/59/1043496959.db2.gz SXJRRCITXYUNKY-LBPRGKRZSA-N 1 1 312.508 4.328 20 30 DIEDMO C[C@@H]1CCCCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000350122517 1043540677 /nfs/dbraw/zinc/54/06/77/1043540677.db2.gz JMKSBIFRHWKPHL-MRXNPFEDSA-N 1 1 323.440 4.002 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@@H](C)CCC=C(C)C)C1=O ZINC001275068309 1043570433 /nfs/dbraw/zinc/57/04/33/1043570433.db2.gz GGRDFUVYCHVCSO-ICSRJNTNSA-N 1 1 318.505 4.012 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000558724302 1043579468 /nfs/dbraw/zinc/57/94/68/1043579468.db2.gz DPJHNBAKFORXMD-ZCNNSNEGSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000558724302 1043579472 /nfs/dbraw/zinc/57/94/72/1043579472.db2.gz DPJHNBAKFORXMD-ZCNNSNEGSA-N 1 1 324.468 4.250 20 30 DIEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1C(C)(C)C#N ZINC000487431713 1043580001 /nfs/dbraw/zinc/58/00/01/1043580001.db2.gz QKNUQXXAGXPDOQ-UHFFFAOYSA-N 1 1 314.379 4.398 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccc(F)c(C#N)c1 ZINC000190484557 1043580124 /nfs/dbraw/zinc/58/01/24/1043580124.db2.gz CSNKKWRJSNNPDN-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926478768 1043582918 /nfs/dbraw/zinc/58/29/18/1043582918.db2.gz CNVKXRUGECAHCH-IRXDYDNUSA-N 1 1 309.413 4.385 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2csc(C)n2)cc1 ZINC000353153622 1043587710 /nfs/dbraw/zinc/58/77/10/1043587710.db2.gz QJKJGNPMDXGVCF-UHFFFAOYSA-N 1 1 302.443 4.038 20 30 DIEDMO COc1ccc([C@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549987 1043598826 /nfs/dbraw/zinc/59/88/26/1043598826.db2.gz IEEFFYQZHNWZCL-KSSFIOAISA-N 1 1 312.413 4.296 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000926568837 1043600912 /nfs/dbraw/zinc/60/09/12/1043600912.db2.gz ODWJTCGVYVAALX-IBGZPJMESA-N 1 1 319.408 4.447 20 30 DIEDMO CCCOc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000353419922 1043606709 /nfs/dbraw/zinc/60/67/09/1043606709.db2.gz DTHCMTJSOQPFBT-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CCCOc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1OC ZINC000353419922 1043606712 /nfs/dbraw/zinc/60/67/12/1043606712.db2.gz DTHCMTJSOQPFBT-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CCOc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OCC ZINC000353417652 1043607492 /nfs/dbraw/zinc/60/74/92/1043607492.db2.gz VYJXFSNRSGYDCA-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OCC ZINC000353417652 1043607497 /nfs/dbraw/zinc/60/74/97/1043607497.db2.gz VYJXFSNRSGYDCA-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CO[C@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853036 1043618056 /nfs/dbraw/zinc/61/80/56/1043618056.db2.gz OWNHBPBETGHZEH-OAQYLSRUSA-N 1 1 318.420 4.035 20 30 DIEDMO C=CC[NH+](CC=C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000443629646 1043626640 /nfs/dbraw/zinc/62/66/40/1043626640.db2.gz VDNWAOLLGCUWMM-UHFFFAOYSA-N 1 1 313.832 4.279 20 30 DIEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000353667806 1043632190 /nfs/dbraw/zinc/63/21/90/1043632190.db2.gz VVRFTIOQFVTFBM-QGZVFWFLSA-N 1 1 320.436 4.316 20 30 DIEDMO C=CCCCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001141777571 1043650992 /nfs/dbraw/zinc/65/09/92/1043650992.db2.gz LPMODNAAQGKRSP-GOSISDBHSA-N 1 1 320.521 4.284 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000125808855 1043665582 /nfs/dbraw/zinc/66/55/82/1043665582.db2.gz CUPVYCVUQOETOP-HOTGVXAUSA-N 1 1 324.424 4.179 20 30 DIEDMO CC[C@@]1(C)CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000354099992 1043681429 /nfs/dbraw/zinc/68/14/29/1043681429.db2.gz IWFNAMGARMOVGC-FQEVSTJZSA-N 1 1 322.456 4.086 20 30 DIEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000895564024 1043707232 /nfs/dbraw/zinc/70/72/32/1043707232.db2.gz QMPIGZDWXRCQTF-FUHWJXTLSA-N 1 1 322.456 4.196 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000876803473 1043711866 /nfs/dbraw/zinc/71/18/66/1043711866.db2.gz IOIYCZDHSUQIAA-IXDOHACOSA-N 1 1 320.502 4.356 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000876803474 1043712129 /nfs/dbraw/zinc/71/21/29/1043712129.db2.gz IOIYCZDHSUQIAA-ZACQAIPSSA-N 1 1 320.502 4.356 20 30 DIEDMO C=CCC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000355038434 1043738916 /nfs/dbraw/zinc/73/89/16/1043738916.db2.gz FIJRSJMPOMSXSP-MOPGFXCFSA-N 1 1 314.473 4.075 20 30 DIEDMO CC(C)([NH2+]Cc1cc(C#N)cnc1Cl)c1cccc(Cl)c1 ZINC000877061352 1043739398 /nfs/dbraw/zinc/73/93/98/1043739398.db2.gz FOKZRNKEPOZDPD-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2F)cc1 ZINC001137119287 1043758461 /nfs/dbraw/zinc/75/84/61/1043758461.db2.gz DEEMKKLRNIRKLV-FQEVSTJZSA-N 1 1 324.399 4.455 20 30 DIEDMO CSc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877499526 1043767241 /nfs/dbraw/zinc/76/72/41/1043767241.db2.gz RFNLUTYDDJTJCF-NSHDSACASA-N 1 1 317.845 4.179 20 30 DIEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000877516072 1043770838 /nfs/dbraw/zinc/77/08/38/1043770838.db2.gz BLQYGGUMBNXNMO-GHTZIAJQSA-N 1 1 322.452 4.162 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1F ZINC000877625022 1043782300 /nfs/dbraw/zinc/78/23/00/1043782300.db2.gz GOCYVLAEMFRBAB-INIZCTEOSA-N 1 1 317.795 4.233 20 30 DIEDMO CC1(C)C[C@]1([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000877643581 1043784770 /nfs/dbraw/zinc/78/47/70/1043784770.db2.gz GVFBAAMAQVDHQN-SFHVURJKSA-N 1 1 311.816 4.022 20 30 DIEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(-c2ccc(F)cc2F)on1 ZINC000895939186 1043787339 /nfs/dbraw/zinc/78/73/39/1043787339.db2.gz PUQYSZKDZBJZRJ-NSHDSACASA-N 1 1 319.355 4.038 20 30 DIEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1F ZINC000929172277 1043798144 /nfs/dbraw/zinc/79/81/44/1043798144.db2.gz BHQGJDHLWVJWAW-UHFFFAOYSA-N 1 1 304.409 4.130 20 30 DIEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356121713 1043815419 /nfs/dbraw/zinc/81/54/19/1043815419.db2.gz JWXYOKSTHVGEIW-NSHDSACASA-N 1 1 316.392 4.150 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2CCCc2ccccc2)n1 ZINC000356130890 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323.506 4.450 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@H](C)SCC)no2)CCCC1(C)C ZINC000444791416 1044630876 /nfs/dbraw/zinc/63/08/76/1044630876.db2.gz MRKLWVBHLWFVTI-KBPBESRZSA-N 1 1 323.506 4.450 20 30 DIEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCC/C=C\CC)CC2)C1=O ZINC001275844905 1044635392 /nfs/dbraw/zinc/63/53/92/1044635392.db2.gz WUASRMQAHWQALL-KKHYBRAUSA-N 1 1 318.505 4.014 20 30 DIEDMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000568763339 1044649296 /nfs/dbraw/zinc/64/92/96/1044649296.db2.gz GWPYEXMLQIDGKW-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000523556795 1044658317 /nfs/dbraw/zinc/65/83/17/1044658317.db2.gz NHGJGDKSYXXDBT-MRXNPFEDSA-N 1 1 320.452 4.023 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)c(F)c1 ZINC000523760203 1044682496 /nfs/dbraw/zinc/68/24/96/1044682496.db2.gz HYXPXRMHGFMQTA-UHFFFAOYSA-N 1 1 312.363 4.249 20 30 DIEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCCSCC#N)C2CC2)o1 ZINC000074980543 1044687355 /nfs/dbraw/zinc/68/73/55/1044687355.db2.gz POLSTYLQSLFLFO-CJNGLKHVSA-N 1 1 304.459 4.014 20 30 DIEDMO CCCCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000075623907 1044688823 /nfs/dbraw/zinc/68/88/23/1044688823.db2.gz QOSFEUXVXILEDU-UHFFFAOYSA-N 1 1 312.417 4.009 20 30 DIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC(C)(C)CCC#N ZINC000155242609 1044688982 /nfs/dbraw/zinc/68/89/82/1044688982.db2.gz WDQLEKLBIBZKLB-UHFFFAOYSA-N 1 1 313.489 4.439 20 30 DIEDMO C=CC[N@H+](CCCSCC#N)Cc1ccc(Cl)s1 ZINC000080626018 1044716724 /nfs/dbraw/zinc/71/67/24/1044716724.db2.gz HKEFNJFLQPPCEL-UHFFFAOYSA-N 1 1 300.880 4.036 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc(Cl)ccc2C#N)C1 ZINC000524053251 1044727656 /nfs/dbraw/zinc/72/76/56/1044727656.db2.gz ZUNURZGPLDTAHY-CQSZACIVSA-N 1 1 305.853 4.136 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000571274780 1044805886 /nfs/dbraw/zinc/80/58/86/1044805886.db2.gz AFBFKDMAYOMLAI-LBPRGKRZSA-N 1 1 317.355 4.058 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000264073475 1044848120 /nfs/dbraw/zinc/84/81/20/1044848120.db2.gz BZVSFCMQLMNLFF-INIZCTEOSA-N 1 1 324.424 4.181 20 30 DIEDMO N#CCOc1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)cc1 ZINC000264124366 1044855107 /nfs/dbraw/zinc/85/51/07/1044855107.db2.gz LJCGMNHPFWOBGR-UHFFFAOYSA-N 1 1 310.397 4.127 20 30 DIEDMO C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337144108 1044870854 /nfs/dbraw/zinc/87/08/54/1044870854.db2.gz WGSJAIZYPUJHMR-AWEZNQCLSA-N 1 1 322.399 4.058 20 30 DIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21 ZINC000572756800 1044874746 /nfs/dbraw/zinc/87/47/46/1044874746.db2.gz BWCZNMPCQJGVDQ-OAQYLSRUSA-N 1 1 320.436 4.084 20 30 DIEDMO C=CCCC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC001168086477 1044904829 /nfs/dbraw/zinc/90/48/29/1044904829.db2.gz QMBDUTLZFISHAJ-ZSXDVEMLSA-N 1 1 320.521 4.137 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC000372433093 1044913143 /nfs/dbraw/zinc/91/31/43/1044913143.db2.gz AMJNICIJESRVKM-INIZCTEOSA-N 1 1 300.427 4.045 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC000372433093 1044913156 /nfs/dbraw/zinc/91/31/56/1044913156.db2.gz AMJNICIJESRVKM-INIZCTEOSA-N 1 1 300.427 4.045 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(F)cc3Cl)CC2)c1 ZINC000573704053 1044916887 /nfs/dbraw/zinc/91/68/87/1044916887.db2.gz RZAOWBLGECIXQA-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO Cc1cc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)ccc1F ZINC000373075223 1044938806 /nfs/dbraw/zinc/93/88/06/1044938806.db2.gz UAYFPVNFMVMNKM-SFHVURJKSA-N 1 1 318.436 4.228 20 30 DIEDMO Cc1cc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)ccc1F ZINC000373075223 1044938823 /nfs/dbraw/zinc/93/88/23/1044938823.db2.gz UAYFPVNFMVMNKM-SFHVURJKSA-N 1 1 318.436 4.228 20 30 DIEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H]1C ZINC000574468498 1044955045 /nfs/dbraw/zinc/95/50/45/1044955045.db2.gz KODNHDKQWPRFDD-QZTJIDSGSA-N 1 1 304.437 4.227 20 30 DIEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135346273 1044979080 /nfs/dbraw/zinc/97/90/80/1044979080.db2.gz IQXHQXAGMJNCTD-PBHICJAKSA-N 1 1 324.428 4.009 20 30 DIEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000411315936 1044995509 /nfs/dbraw/zinc/99/55/09/1044995509.db2.gz KCARMFVJWMLJGB-AAEUAGOBSA-N 1 1 313.228 4.139 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000283032862 1044998683 /nfs/dbraw/zinc/99/86/83/1044998683.db2.gz NHHJZJXAZIGMPJ-CYBMUJFWSA-N 1 1 314.376 4.174 20 30 DIEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC1(C#N)CCCCC1)CC2 ZINC000411407143 1045006090 /nfs/dbraw/zinc/00/60/90/1045006090.db2.gz KQKOPADKKGWOSU-UHFFFAOYSA-N 1 1 324.468 4.154 20 30 DIEDMO CC(C)(C)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000150863788 1045008587 /nfs/dbraw/zinc/00/85/87/1045008587.db2.gz LSNSSBWVRCDFGD-MRXNPFEDSA-N 1 1 304.340 4.306 20 30 DIEDMO CC1CCC([N@H+](Cc2ccc(C#N)cc2)C[C@H]2CCCO2)CC1 ZINC000525273834 1045023139 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Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NCc1ccc(C#N)o1 ZINC000152262058 1045097808 /nfs/dbraw/zinc/09/78/08/1045097808.db2.gz JQYSUQATVUUITF-OAHLLOKOSA-N 1 1 309.413 4.451 20 30 DIEDMO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NCc1ccc(C#N)o1 ZINC000152262058 1045097817 /nfs/dbraw/zinc/09/78/17/1045097817.db2.gz JQYSUQATVUUITF-OAHLLOKOSA-N 1 1 309.413 4.451 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000778992887 1045109635 /nfs/dbraw/zinc/10/96/35/1045109635.db2.gz LOHZZXWMFFAKQT-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000778992887 1045109637 /nfs/dbraw/zinc/10/96/37/1045109637.db2.gz LOHZZXWMFFAKQT-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1O ZINC000778995756 1045110811 /nfs/dbraw/zinc/11/08/11/1045110811.db2.gz DKKOCUWPCMQSKH-UHFFFAOYSA-N 1 1 312.388 4.061 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(Cl)nc(Cl)c1 ZINC000778996365 1045113610 /nfs/dbraw/zinc/11/36/10/1045113610.db2.gz MMAQXIFQDXXZSQ-UHFFFAOYSA-N 1 1 311.212 4.212 20 30 DIEDMO CC[C@@H](NCCC[NH+](C(C)C)C(C)C)c1ccc(C#N)cc1 ZINC000447561227 1045149384 /nfs/dbraw/zinc/14/93/84/1045149384.db2.gz GYONLVPBXOAODY-LJQANCHMSA-N 1 1 301.478 4.108 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258044267 1045158904 /nfs/dbraw/zinc/15/89/04/1045158904.db2.gz KUNSMSAMGGNMNE-KKUMJFAQSA-N 1 1 309.416 4.371 20 30 DIEDMO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C ZINC000447731170 1045168042 /nfs/dbraw/zinc/16/80/42/1045168042.db2.gz UBHUTRQCABZZJW-VQTJNVASSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)ccc1C ZINC000447731170 1045168050 /nfs/dbraw/zinc/16/80/50/1045168050.db2.gz UBHUTRQCABZZJW-VQTJNVASSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1C ZINC000447742172 1045173012 /nfs/dbraw/zinc/17/30/12/1045173012.db2.gz OWVNNJPYFSVWIP-UHFFFAOYSA-N 1 1 308.425 4.286 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1 ZINC000601114555 1045189904 /nfs/dbraw/zinc/18/99/04/1045189904.db2.gz RUPQVLSFGOHUPJ-HNNXBMFYSA-N 1 1 301.340 4.154 20 30 DIEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1 ZINC000601166350 1045195971 /nfs/dbraw/zinc/19/59/71/1045195971.db2.gz IVXSMXWZFSDBNF-SFHVURJKSA-N 1 1 314.379 4.427 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000925027257 1045219701 /nfs/dbraw/zinc/21/97/01/1045219701.db2.gz JSNCHJCRDXAAAP-MRXNPFEDSA-N 1 1 314.816 4.077 20 30 DIEDMO Cc1cnc(CC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)c1 ZINC000578352998 1045234296 /nfs/dbraw/zinc/23/42/96/1045234296.db2.gz QBHLGONOBMRAKX-TZIWHRDSSA-N 1 1 319.452 4.013 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000578824575 1045275022 /nfs/dbraw/zinc/27/50/22/1045275022.db2.gz PVOHQRQWTDGPOA-RNQWEJQRSA-N 1 1 320.383 4.315 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000578824575 1045275029 /nfs/dbraw/zinc/27/50/29/1045275029.db2.gz PVOHQRQWTDGPOA-RNQWEJQRSA-N 1 1 320.383 4.315 20 30 DIEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075675565 1045339286 /nfs/dbraw/zinc/33/92/86/1045339286.db2.gz FBQASQFNHZJIHX-MRXNPFEDSA-N 1 1 324.428 4.009 20 30 DIEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000449120478 1045349206 /nfs/dbraw/zinc/34/92/06/1045349206.db2.gz DCDFUWWDEYFLCO-GPJFCIFZSA-N 1 1 317.521 4.093 20 30 DIEDMO CC1(C#N)CCC([NH2+]C[C@@H]2CCCN2CC2CCCCC2)CC1 ZINC000449120478 1045349210 /nfs/dbraw/zinc/34/92/10/1045349210.db2.gz DCDFUWWDEYFLCO-GPJFCIFZSA-N 1 1 317.521 4.093 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449230063 1045365366 /nfs/dbraw/zinc/36/53/66/1045365366.db2.gz HCWKTERHRIPOPQ-UHFFFAOYSA-N 1 1 315.417 4.075 20 30 DIEDMO C=CC[C@H](CC)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449306350 1045374197 /nfs/dbraw/zinc/37/41/97/1045374197.db2.gz WFRUDOJOEAWJDL-HKUYNNGSSA-N 1 1 300.490 4.026 20 30 DIEDMO FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000528584575 1045379756 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C=CC[N@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCCCC1 ZINC000450404845 1045502311 /nfs/dbraw/zinc/50/23/11/1045502311.db2.gz NUBKIUFNCUPCGU-UHFFFAOYSA-N 1 1 315.383 4.014 20 30 DIEDMO CC(C)C[N@@H+](Cc1cnc(Cl)s1)Cc1ccc(C#N)cc1 ZINC000750794992 1045555478 /nfs/dbraw/zinc/55/54/78/1045555478.db2.gz MKWCETCMTAFJOT-UHFFFAOYSA-N 1 1 319.861 4.326 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000751514628 1045608534 /nfs/dbraw/zinc/60/85/34/1045608534.db2.gz UAWSYCKMFFUZPG-KPKJPENVSA-N 1 1 302.377 4.385 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ccccc2F)cc1 ZINC000751519813 1045610307 /nfs/dbraw/zinc/61/03/07/1045610307.db2.gz BHJHNZDNYJLDCF-UHFFFAOYSA-N 1 1 308.360 4.156 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccccc2F)cc1 ZINC000751516462 1045610615 /nfs/dbraw/zinc/61/06/15/1045610615.db2.gz BXHSMHDXFSHUIH-DHZHZOJOSA-N 1 1 306.340 4.216 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccccc2C)cc1 ZINC000751516605 1045610715 /nfs/dbraw/zinc/61/07/15/1045610715.db2.gz DVHRKADRSKIILN-XFXZXTDPSA-N 1 1 302.377 4.385 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC000451140737 1045627621 /nfs/dbraw/zinc/62/76/21/1045627621.db2.gz CJEYMBKQFSWNOP-DMDPSCGWSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(F)cc1C#N ZINC000451140737 1045627643 /nfs/dbraw/zinc/62/76/43/1045627643.db2.gz CJEYMBKQFSWNOP-DMDPSCGWSA-N 1 1 314.326 4.249 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000451141128 1045628779 /nfs/dbraw/zinc/62/87/79/1045628779.db2.gz CYQHWXCMKOJZCY-ZENOOKHLSA-N 1 1 310.363 4.304 20 30 DIEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)cc1 ZINC000190963045 1045635203 /nfs/dbraw/zinc/63/52/03/1045635203.db2.gz LUMZLIOSHRZNRK-DYESRHJHSA-N 1 1 320.436 4.067 20 30 DIEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159389 1045635311 /nfs/dbraw/zinc/63/53/11/1045635311.db2.gz QDIXPPHVEBKRHX-KKSFZXQISA-N 1 1 302.421 4.404 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(-c4ccccc4)cc3C2)C1 ZINC000451159387 1045636427 /nfs/dbraw/zinc/63/64/27/1045636427.db2.gz QDIXPPHVEBKRHX-IERDGZPVSA-N 1 1 302.421 4.404 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)cc1 ZINC000752090383 1045658818 /nfs/dbraw/zinc/65/88/18/1045658818.db2.gz VLNBHGYVLVGAKL-FQEVSTJZSA-N 1 1 324.399 4.455 20 30 DIEDMO C[C@H](c1ccccc1Cl)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223430 1045665906 /nfs/dbraw/zinc/66/59/06/1045665906.db2.gz FCHPSXJYIOFQEZ-CYBMUJFWSA-N 1 1 313.832 4.276 20 30 DIEDMO C[C@H](c1ccccc1Cl)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191223430 1045665913 /nfs/dbraw/zinc/66/59/13/1045665913.db2.gz FCHPSXJYIOFQEZ-CYBMUJFWSA-N 1 1 313.832 4.276 20 30 DIEDMO Cc1cc(N)cc(C)c1C=[NH+]OCc1ccc(C(F)(F)F)cc1 ZINC000752732770 1045699858 /nfs/dbraw/zinc/69/98/58/1045699858.db2.gz DHTCHEZRIGUYOM-UHFFFAOYSA-N 1 1 322.330 4.455 20 30 DIEDMO CC1(C)C(=[NH+]n2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000752746700 1045700430 /nfs/dbraw/zinc/70/04/30/1045700430.db2.gz TUCDPRXUSCWDPU-CYBMUJFWSA-N 1 1 318.218 4.063 20 30 DIEDMO N#CCCCC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191464058 1045709862 /nfs/dbraw/zinc/70/98/62/1045709862.db2.gz SZYVYRYXKBWIPB-UHFFFAOYSA-N 1 1 321.262 4.355 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)c(OC(F)F)c1 ZINC000530756218 1045723259 /nfs/dbraw/zinc/72/32/59/1045723259.db2.gz VEGDJOZHXRHHLX-UHFFFAOYSA-N 1 1 306.356 4.067 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)nc1Cl)c1ccc(C#N)cc1 ZINC000801527945 1045730693 /nfs/dbraw/zinc/73/06/93/1045730693.db2.gz OZZWNIAZVKISTI-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CC3(CCC3)[C@H]2c2ccco2)c1 ZINC000451853538 1045733364 /nfs/dbraw/zinc/73/33/64/1045733364.db2.gz LRSVTMCBQWSQMC-LJQANCHMSA-N 1 1 322.408 4.147 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)nc3Cl)CC2)c1 ZINC000801531978 1045734462 /nfs/dbraw/zinc/73/44/62/1045734462.db2.gz WTPPGOXMMLVUKR-UHFFFAOYSA-N 1 1 318.207 4.039 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CC[C@H]1C(F)(F)F ZINC000191662290 1045744930 /nfs/dbraw/zinc/74/49/30/1045744930.db2.gz ZATOKTMEKGWTGL-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1C(F)(F)F ZINC000191662290 1045744943 /nfs/dbraw/zinc/74/49/43/1045744943.db2.gz ZATOKTMEKGWTGL-CQSZACIVSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@@H]1C(F)(F)F ZINC000191663796 1045746324 /nfs/dbraw/zinc/74/63/24/1045746324.db2.gz QJUOFUPMHKTDBY-LBPRGKRZSA-N 1 1 302.365 4.030 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@@H]1C(F)(F)F ZINC000191663796 1045746340 /nfs/dbraw/zinc/74/63/40/1045746340.db2.gz QJUOFUPMHKTDBY-LBPRGKRZSA-N 1 1 302.365 4.030 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C2)c1 ZINC000452021380 1045759865 /nfs/dbraw/zinc/75/98/65/1045759865.db2.gz SVMCOMLLJMSMJS-QAQDUYKDSA-N 1 1 300.446 4.203 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000753988509 1045827575 /nfs/dbraw/zinc/82/75/75/1045827575.db2.gz QXDMWSURKKJUCA-ZDUSSCGKSA-N 1 1 324.424 4.141 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@H](C)c1cccs1 ZINC000801916404 1045835484 /nfs/dbraw/zinc/83/54/84/1045835484.db2.gz XJMSLIONZXVETH-HZPDHXFCSA-N 1 1 314.454 4.240 20 30 DIEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000801913972 1045835857 /nfs/dbraw/zinc/83/58/57/1045835857.db2.gz PZWKXSMPSMJSEF-MSOLQXFVSA-N 1 1 308.425 4.178 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912978 1045837397 /nfs/dbraw/zinc/83/73/97/1045837397.db2.gz KNFBESAQRUSBMO-QAPCUYQASA-N 1 1 300.446 4.050 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921637 1045840101 /nfs/dbraw/zinc/84/01/01/1045840101.db2.gz IEKSFTFRTSOZBQ-PBHICJAKSA-N 1 1 306.837 4.186 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000801953928 1045858942 /nfs/dbraw/zinc/85/89/42/1045858942.db2.gz YYZKZQNYSWNPDB-KBXCAEBGSA-N 1 1 320.864 4.432 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC23CCCCC3)c(Br)c1 ZINC001137633901 1045913031 /nfs/dbraw/zinc/91/30/31/1045913031.db2.gz CUEFWAOMCJJBGS-UHFFFAOYSA-N 1 1 319.246 4.229 20 30 DIEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137637928 1045913080 /nfs/dbraw/zinc/91/30/80/1045913080.db2.gz FNXCAMSWUOHRAM-CQSZACIVSA-N 1 1 307.235 4.085 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CCCCC1 ZINC001137632676 1045914471 /nfs/dbraw/zinc/91/44/71/1045914471.db2.gz IHRSSEPVZDLHTE-UHFFFAOYSA-N 1 1 321.262 4.475 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]2c2ccccc2)c1O ZINC000754725952 1045921785 /nfs/dbraw/zinc/92/17/85/1045921785.db2.gz ISNJVJWUUWEDDY-IBGZPJMESA-N 1 1 309.409 4.076 20 30 DIEDMO Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1F ZINC001137679932 1045931947 /nfs/dbraw/zinc/93/19/47/1045931947.db2.gz DFVPJOSLCJZACA-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(OC)cc1C#N ZINC001137704354 1045940217 /nfs/dbraw/zinc/94/02/17/1045940217.db2.gz BPGVUSNJTHTTPI-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(OC)cc1C#N ZINC001137704354 1045940228 /nfs/dbraw/zinc/94/02/28/1045940228.db2.gz BPGVUSNJTHTTPI-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137706262 1045940500 /nfs/dbraw/zinc/94/05/00/1045940500.db2.gz UURFNONXYYBGPP-FQEVSTJZSA-N 1 1 306.409 4.076 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OC)cc1C#N ZINC001137706262 1045940504 /nfs/dbraw/zinc/94/05/04/1045940504.db2.gz UURFNONXYYBGPP-FQEVSTJZSA-N 1 1 306.409 4.076 20 30 DIEDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137899666 1046004289 /nfs/dbraw/zinc/00/42/89/1046004289.db2.gz BZEPNRIZVODWRX-CRAIPNDOSA-N 1 1 323.415 4.258 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000829789578 1046007599 /nfs/dbraw/zinc/00/75/99/1046007599.db2.gz XYSMAORTHBOJFC-GFCCVEGCSA-N 1 1 322.330 4.082 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1O ZINC000802657846 1046029036 /nfs/dbraw/zinc/02/90/36/1046029036.db2.gz WFOVFSAXOGBCDQ-UHFFFAOYSA-N 1 1 300.427 4.128 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1O ZINC000802657739 1046030290 /nfs/dbraw/zinc/03/02/90/1046030290.db2.gz PPGMEQUZTIVFQJ-UHFFFAOYSA-N 1 1 324.424 4.075 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1csc(Cl)n1)c1ccccc1 ZINC000830018735 1046033204 /nfs/dbraw/zinc/03/32/04/1046033204.db2.gz SWYFBTNQTJURAE-AWEZNQCLSA-N 1 1 305.834 4.321 20 30 DIEDMO CC[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000453354592 1046054140 /nfs/dbraw/zinc/05/41/40/1046054140.db2.gz JZRGAHQPKJQVQW-ROUUACIJSA-N 1 1 300.471 4.228 20 30 DIEDMO C[C@H](Cc1cccc(Br)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001256188906 1046054351 /nfs/dbraw/zinc/05/43/51/1046054351.db2.gz XCBJUZUWBFFIQS-ZIAGYGMSSA-N 1 1 321.262 4.006 20 30 DIEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902750164 1046057954 /nfs/dbraw/zinc/05/79/54/1046057954.db2.gz BDNQQLCRSPNDDR-CABCVRRESA-N 1 1 309.413 4.152 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902784301 1046067253 /nfs/dbraw/zinc/06/72/53/1046067253.db2.gz SJUGWWXRVWCLFW-RHSMWYFYSA-N 1 1 309.413 4.154 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(OC(C)=O)c1 ZINC001138042920 1046071575 /nfs/dbraw/zinc/07/15/75/1046071575.db2.gz HCUSBQMRQKRCAX-UHFFFAOYSA-N 1 1 309.409 4.190 20 30 DIEDMO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902812289 1046076277 /nfs/dbraw/zinc/07/62/77/1046076277.db2.gz RFZAWMGIJPHEPH-BDJLRTHQSA-N 1 1 301.340 4.033 20 30 DIEDMO CCc1ccc([C@H](COC)[NH2+][C@H](CC)c2cccc(C#N)c2)o1 ZINC000902819072 1046077161 /nfs/dbraw/zinc/07/71/61/1046077161.db2.gz QHRPKAVSYXTIMC-MSOLQXFVSA-N 1 1 312.413 4.142 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)Cc1ccc(O)c2ccccc12 ZINC001138053404 1046077319 /nfs/dbraw/zinc/07/73/19/1046077319.db2.gz NOKZJIWXKPDQJO-UHFFFAOYSA-N 1 1 316.404 4.461 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)c2ccccc12 ZINC001138053404 1046077335 /nfs/dbraw/zinc/07/73/35/1046077335.db2.gz NOKZJIWXKPDQJO-UHFFFAOYSA-N 1 1 316.404 4.461 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CC2(CCC2)Oc2ccccc21)c1cc(C#N)ccn1 ZINC000902836355 1046081924 /nfs/dbraw/zinc/08/19/24/1046081924.db2.gz GSSFHKUNCVULDG-KDOFPFPSSA-N 1 1 319.408 4.050 20 30 DIEDMO C=CC[N@H+](C)Cc1cnccc1-c1cccc(Br)c1 ZINC001138074752 1046082344 /nfs/dbraw/zinc/08/23/44/1046082344.db2.gz NWOHQEXDPIGAQM-UHFFFAOYSA-N 1 1 317.230 4.129 20 30 DIEDMO Cc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(OC(C)(C)C)c1 ZINC000902838182 1046082856 /nfs/dbraw/zinc/08/28/56/1046082856.db2.gz CURNCCDHPVVGFU-OAHLLOKOSA-N 1 1 323.440 4.290 20 30 DIEDMO FC(F)(F)c1ccc(Cl)c(C[NH+]2CCC(S)CC2)c1 ZINC001138085716 1046087758 /nfs/dbraw/zinc/08/77/58/1046087758.db2.gz VPUPUXPOARSYQD-UHFFFAOYSA-N 1 1 309.784 4.253 20 30 DIEDMO Cc1cc([NH+]2CCCC2)ccc1N[C@H](C)c1cc(C#N)ccn1 ZINC000902898928 1046103856 /nfs/dbraw/zinc/10/38/56/1046103856.db2.gz XZHYPBCVFZNCRT-OAHLLOKOSA-N 1 1 306.413 4.035 20 30 DIEDMO C=CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccncc1 ZINC000756583299 1046104204 /nfs/dbraw/zinc/10/42/04/1046104204.db2.gz MXLNOJSGRDQQTF-BDJLRTHQSA-N 1 1 304.340 4.033 20 30 DIEDMO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc(C#N)c1 ZINC000902949699 1046125098 /nfs/dbraw/zinc/12/50/98/1046125098.db2.gz AYBMEDOINANCKB-JKSUJKDBSA-N 1 1 314.335 4.011 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)c(F)c1 ZINC000195725084 1046132883 /nfs/dbraw/zinc/13/28/83/1046132883.db2.gz GJNIJROJHDDJMG-FQEVSTJZSA-N 1 1 306.384 4.349 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c(F)c1 ZINC000195725083 1046133897 /nfs/dbraw/zinc/13/38/97/1046133897.db2.gz GJNIJROJHDDJMG-HXUWFJFHSA-N 1 1 306.384 4.349 20 30 DIEDMO C#CC[N@@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCc2ccccc21 ZINC000756812018 1046139337 /nfs/dbraw/zinc/13/93/37/1046139337.db2.gz GRGIKDQJWFESLN-GOSISDBHSA-N 1 1 320.367 4.090 20 30 DIEDMO C#CC[N@H+](Cc1nc2cc(F)ccc2o1)[C@@H]1CCc2ccccc21 ZINC000756812018 1046139341 /nfs/dbraw/zinc/13/93/41/1046139341.db2.gz GRGIKDQJWFESLN-GOSISDBHSA-N 1 1 320.367 4.090 20 30 DIEDMO Cc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)sc1Br ZINC000903035407 1046144639 /nfs/dbraw/zinc/14/46/39/1046144639.db2.gz OPEQABLKROGWAV-JTQLQIEISA-N 1 1 313.264 4.164 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1C(F)(F)F ZINC000903035247 1046144659 /nfs/dbraw/zinc/14/46/59/1046144659.db2.gz MHQRUNHJYHPMHE-SNVBAGLBSA-N 1 1 300.299 4.189 20 30 DIEDMO C#CC[N@H+](Cc1csc(-c2ccsc2)n1)C1CCCC1 ZINC000756911630 1046151388 /nfs/dbraw/zinc/15/13/88/1046151388.db2.gz PJTXHGPQZGFQDV-UHFFFAOYSA-N 1 1 302.468 4.249 20 30 DIEDMO C#CC[N@@H+](Cc1csc(-c2ccsc2)n1)C1CCCC1 ZINC000756911630 1046151397 /nfs/dbraw/zinc/15/13/97/1046151397.db2.gz PJTXHGPQZGFQDV-UHFFFAOYSA-N 1 1 302.468 4.249 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ccc(Br)cc12 ZINC001138321847 1046151887 /nfs/dbraw/zinc/15/18/87/1046151887.db2.gz LQSTXPZZPJXVHV-UHFFFAOYSA-N 1 1 307.235 4.328 20 30 DIEDMO C=CCC[N@H+](Cc1nc2ccccc2n1C)Cc1ccccc1 ZINC001138378448 1046158981 /nfs/dbraw/zinc/15/89/81/1046158981.db2.gz CYVMGOFULIJJCV-UHFFFAOYSA-N 1 1 305.425 4.152 20 30 DIEDMO C=CCCC[C@@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000903087796 1046161239 /nfs/dbraw/zinc/16/12/39/1046161239.db2.gz IXEXDIKFFAMATK-FUHWJXTLSA-N 1 1 312.461 4.436 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc2cccc(F)c2o1 ZINC000475704097 1046161328 /nfs/dbraw/zinc/16/13/28/1046161328.db2.gz ZBBAZUQJWWVHEA-NSHDSACASA-N 1 1 312.319 4.433 20 30 DIEDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)ccc1SC(F)F ZINC000903100767 1046162693 /nfs/dbraw/zinc/16/26/93/1046162693.db2.gz XEZZHCKQGJNEMR-SNVBAGLBSA-N 1 1 314.401 4.210 20 30 DIEDMO Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100570 1046163161 /nfs/dbraw/zinc/16/31/61/1046163161.db2.gz UEOQLIRBAJFQCW-CYBMUJFWSA-N 1 1 313.470 4.243 20 30 DIEDMO Cc1c([C@H](C)[NH2+]CC(C)(C)C#N)cnn1-c1cccc(Cl)c1 ZINC000903100222 1046163473 /nfs/dbraw/zinc/16/34/73/1046163473.db2.gz KOJLVNADNWUIIM-LBPRGKRZSA-N 1 1 316.836 4.035 20 30 DIEDMO C=CC[N@H+](Cc1ncccc1NC(=O)OC(C)(C)C)C(C)(C)C ZINC001138407937 1046168005 /nfs/dbraw/zinc/16/80/05/1046168005.db2.gz MHGAQORKZZPLJS-UHFFFAOYSA-N 1 1 319.449 4.215 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ncccc1NC(=O)OC(C)(C)C ZINC001138408427 1046170570 /nfs/dbraw/zinc/17/05/70/1046170570.db2.gz JBQCILNHPKIEQW-UHFFFAOYSA-N 1 1 319.449 4.217 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1C ZINC001138439507 1046183031 /nfs/dbraw/zinc/18/30/31/1046183031.db2.gz PQERZXWUKGIFTN-UHFFFAOYSA-N 1 1 311.425 4.200 20 30 DIEDMO C=CCC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(Cl)c1 ZINC000903177557 1046184518 /nfs/dbraw/zinc/18/45/18/1046184518.db2.gz PIZAVJPXFDGEBV-HOTGVXAUSA-N 1 1 301.821 4.278 20 30 DIEDMO C=CCC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(Cl)c1 ZINC000903177558 1046185343 /nfs/dbraw/zinc/18/53/43/1046185343.db2.gz PIZAVJPXFDGEBV-HZPDHXFCSA-N 1 1 301.821 4.278 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(C)(C)C ZINC000903329634 1046241638 /nfs/dbraw/zinc/24/16/38/1046241638.db2.gz SPDLJUPMSVRFFU-AUUYWEPGSA-N 1 1 323.440 4.405 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2)c1O ZINC001138629023 1046246784 /nfs/dbraw/zinc/24/67/84/1046246784.db2.gz LKEBNQGWXOYJDJ-UHFFFAOYSA-N 1 1 301.817 4.406 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)c1O ZINC001138628404 1046247258 /nfs/dbraw/zinc/24/72/58/1046247258.db2.gz UHDOZFFWQSWZAV-IBGZPJMESA-N 1 1 323.436 4.082 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1O ZINC001138627612 1046248097 /nfs/dbraw/zinc/24/80/97/1046248097.db2.gz BYMLSLUDXVXBFA-KRWDZBQOSA-N 1 1 311.400 4.249 20 30 DIEDMO N#CCC[N@@H+](Cc1cccn1-c1ccccc1F)C1CCCC1 ZINC001138632578 1046250680 /nfs/dbraw/zinc/25/06/80/1046250680.db2.gz AJRYKTMLQVFZSC-UHFFFAOYSA-N 1 1 311.404 4.275 20 30 DIEDMO N#CCC[N@H+](Cc1cccn1-c1ccccc1F)C1CCCC1 ZINC001138632578 1046250694 /nfs/dbraw/zinc/25/06/94/1046250694.db2.gz AJRYKTMLQVFZSC-UHFFFAOYSA-N 1 1 311.404 4.275 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001138661819 1046259207 /nfs/dbraw/zinc/25/92/07/1046259207.db2.gz HEZDDYXCCZDCRC-IYBDPMFKSA-N 1 1 307.384 4.119 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138662127 1046260825 /nfs/dbraw/zinc/26/08/25/1046260825.db2.gz OYXOJUBMSWCZEN-UHFFFAOYSA-N 1 1 318.420 4.071 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138662127 1046260836 /nfs/dbraw/zinc/26/08/36/1046260836.db2.gz OYXOJUBMSWCZEN-UHFFFAOYSA-N 1 1 318.420 4.071 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001138665661 1046261213 /nfs/dbraw/zinc/26/12/13/1046261213.db2.gz RWBOBUTUVIRSEJ-UHFFFAOYSA-N 1 1 315.457 4.177 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001138665661 1046261215 /nfs/dbraw/zinc/26/12/15/1046261215.db2.gz RWBOBUTUVIRSEJ-UHFFFAOYSA-N 1 1 315.457 4.177 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+](CCCCCO)C(C)C ZINC001138666125 1046262015 /nfs/dbraw/zinc/26/20/15/1046262015.db2.gz JKDVBSXQHKYGII-UHFFFAOYSA-N 1 1 305.462 4.015 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001462016150 1046281280 /nfs/dbraw/zinc/28/12/80/1046281280.db2.gz FAKCBZJNBBMMKL-UHFFFAOYSA-N 1 1 302.296 4.012 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2c1cccc2Cl)Cc1cccc(C#N)c1 ZINC001138836762 1046308418 /nfs/dbraw/zinc/30/84/18/1046308418.db2.gz PUILGGYZUBOPBT-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(=O)CC)cc1 ZINC001138965682 1046343227 /nfs/dbraw/zinc/34/32/27/1046343227.db2.gz ZVTVGXWYQFBSMM-UHFFFAOYSA-N 1 1 309.409 4.190 20 30 DIEDMO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1OCC ZINC001138973871 1046347575 /nfs/dbraw/zinc/34/75/75/1046347575.db2.gz HWIKKYGYOQPJHM-UHFFFAOYSA-N 1 1 316.445 4.142 20 30 DIEDMO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1OCC ZINC001138973871 1046347586 /nfs/dbraw/zinc/34/75/86/1046347586.db2.gz HWIKKYGYOQPJHM-UHFFFAOYSA-N 1 1 316.445 4.142 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001139030019 1046363905 /nfs/dbraw/zinc/36/39/05/1046363905.db2.gz CEZSLPOQEHMZLK-UHFFFAOYSA-N 1 1 303.421 4.356 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001139030740 1046364496 /nfs/dbraw/zinc/36/44/96/1046364496.db2.gz SQEFQTRWROVPKW-GOSISDBHSA-N 1 1 323.436 4.250 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](CC)Cc1ccc(OC)cc1 ZINC001139030471 1046364544 /nfs/dbraw/zinc/36/45/44/1046364544.db2.gz NRXHUCCVVQWRDS-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000796639962 1046381216 /nfs/dbraw/zinc/38/12/16/1046381216.db2.gz QVEYTEVWFXKYTB-UHFFFAOYSA-N 1 1 302.421 4.123 20 30 DIEDMO CCn1ccc2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc21 ZINC001139121224 1046388238 /nfs/dbraw/zinc/38/82/38/1046388238.db2.gz BIJCVRWJZXZQRY-UHFFFAOYSA-N 1 1 303.409 4.165 20 30 DIEDMO CCCCCCC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000832777834 1046392432 /nfs/dbraw/zinc/39/24/32/1046392432.db2.gz CBIFOZKLNFDKFV-UHFFFAOYSA-N 1 1 308.432 4.305 20 30 DIEDMO C#CCCCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000780660452 1046398068 /nfs/dbraw/zinc/39/80/68/1046398068.db2.gz SAYVQFUALZTPTI-UHFFFAOYSA-N 1 1 312.457 4.180 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000104706525 1046399498 /nfs/dbraw/zinc/39/94/98/1046399498.db2.gz OLORXEJYVWGNAD-IBGZPJMESA-N 1 1 312.363 4.467 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001139286180 1046425595 /nfs/dbraw/zinc/42/55/95/1046425595.db2.gz GLJBPSPBFYDHHQ-HNNXBMFYSA-N 1 1 311.450 4.269 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(OC)cc3)s2)C1 ZINC001139286181 1046426019 /nfs/dbraw/zinc/42/60/19/1046426019.db2.gz GLJBPSPBFYDHHQ-OAHLLOKOSA-N 1 1 311.450 4.269 20 30 DIEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139400142 1046443583 /nfs/dbraw/zinc/44/35/83/1046443583.db2.gz HYGNCESGQRNRIC-MRXNPFEDSA-N 1 1 305.425 4.242 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@@H+]3C[C@@H]4CCCC[C@@H]4C3)cc2)c1 ZINC001139402448 1046443685 /nfs/dbraw/zinc/44/36/85/1046443685.db2.gz RTSBIVRPHQLPKU-BGYRXZFFSA-N 1 1 317.436 4.242 20 30 DIEDMO C[N@@H+](Cc1cccs1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406926 1046445580 /nfs/dbraw/zinc/44/55/80/1046445580.db2.gz JRGSPSPKHYAGEY-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407270 1046445659 /nfs/dbraw/zinc/44/56/59/1046445659.db2.gz VSAKTIHABIOFKV-JKSUJKDBSA-N 1 1 305.425 4.241 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 ZINC001139425908 1046448842 /nfs/dbraw/zinc/44/88/42/1046448842.db2.gz XYJIRWUVJHJFJT-HOTGVXAUSA-N 1 1 321.424 4.366 20 30 DIEDMO C=CC[N@H+](Cc1c2ccccc2[nH]c1C(=O)OCC)C(C)(C)C ZINC001139464679 1046452093 /nfs/dbraw/zinc/45/20/93/1046452093.db2.gz AURZVBKKEDWGMO-UHFFFAOYSA-N 1 1 314.429 4.131 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccc2)nc1 ZINC001139519736 1046461322 /nfs/dbraw/zinc/46/13/22/1046461322.db2.gz WSIJPYKSFSSXOR-LUPIEILUSA-N 1 1 303.409 4.015 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC001139527866 1046463427 /nfs/dbraw/zinc/46/34/27/1046463427.db2.gz RWRBMDSBBREWRD-FQEVSTJZSA-N 1 1 324.399 4.433 20 30 DIEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254679028 1046481710 /nfs/dbraw/zinc/48/17/10/1046481710.db2.gz JPWNXKICPXXGDE-SLEUVZQESA-N 1 1 307.235 4.134 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247445468 1046481984 /nfs/dbraw/zinc/48/19/84/1046481984.db2.gz IYTKAISYLDFZPE-RBUKOAKNSA-N 1 1 324.424 4.020 20 30 DIEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254679033 1046482097 /nfs/dbraw/zinc/48/20/97/1046482097.db2.gz JPWNXKICPXXGDE-YWPYICTPSA-N 1 1 307.235 4.134 20 30 DIEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254679037 1046482438 /nfs/dbraw/zinc/48/24/38/1046482438.db2.gz JPWNXKICPXXGDE-ZOWXZIJZSA-N 1 1 307.235 4.134 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)o1 ZINC000091892122 1046486252 /nfs/dbraw/zinc/48/62/52/1046486252.db2.gz GBINZJFAIQEZSY-PXNSSMCTSA-N 1 1 324.424 4.020 20 30 DIEDMO CCOc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1CC ZINC001139618622 1046488423 /nfs/dbraw/zinc/48/84/23/1046488423.db2.gz DNVLAUGRLZNHEU-UHFFFAOYSA-N 1 1 320.436 4.078 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@H]3c3cccs3)c[nH]c21 ZINC001139703899 1046501091 /nfs/dbraw/zinc/50/10/91/1046501091.db2.gz XFHIXUGQZGKEBH-INIZCTEOSA-N 1 1 307.422 4.438 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCc4ccc(Cl)cc4C3)c[nH]c21 ZINC001139701427 1046501166 /nfs/dbraw/zinc/50/11/66/1046501166.db2.gz HQZKGQWCHLBHEO-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CCc4ccc(Cl)cc4C3)c[nH]c21 ZINC001139701427 1046501175 /nfs/dbraw/zinc/50/11/75/1046501175.db2.gz HQZKGQWCHLBHEO-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001139694055 1046501541 /nfs/dbraw/zinc/50/15/41/1046501541.db2.gz ZPXPMZUWRTVNKO-UHFFFAOYSA-N 1 1 306.812 4.316 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCCC[C@H]3c3cccnc3)c[nH]c21 ZINC001139702791 1046501967 /nfs/dbraw/zinc/50/19/67/1046501967.db2.gz AERGPQJZBIHHNM-IBGZPJMESA-N 1 1 316.408 4.162 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)Cc2ccccc21 ZINC001139701389 1046502158 /nfs/dbraw/zinc/50/21/58/1046502158.db2.gz GVKUJNGGDJOBNW-CQSZACIVSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](OCc3ccccc3)C2)cc1C#N ZINC001139726001 1046507042 /nfs/dbraw/zinc/50/70/42/1046507042.db2.gz MHBAICHLODOCFM-OAQYLSRUSA-N 1 1 320.436 4.048 20 30 DIEDMO N#CCC[N@H+](Cc1cnc2cccnc2c1)C1CCCCCCC1 ZINC001139742357 1046508465 /nfs/dbraw/zinc/50/84/65/1046508465.db2.gz XWPZJJIDHIYUID-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO N#CCC[N@@H+](Cc1cnc2cccnc2c1)C1CCCCCCC1 ZINC001139742357 1046508468 /nfs/dbraw/zinc/50/84/68/1046508468.db2.gz XWPZJJIDHIYUID-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO COc1ccc(N[NH+]=C(C)c2ccccc2N(C)C)cc1Cl ZINC000782231449 1046509462 /nfs/dbraw/zinc/50/94/62/1046509462.db2.gz LELYWPGDQKIQRJ-UHFFFAOYSA-N 1 1 317.820 4.251 20 30 DIEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC001139770243 1046513438 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DIEDMO N#CCc1ccc(C[N@H+]2CCCn3c(cc4ccccc43)C2)cc1 ZINC000553986312 1047978638 /nfs/dbraw/zinc/97/86/38/1047978638.db2.gz DCEXSFVWKWEVQF-UHFFFAOYSA-N 1 1 315.420 4.113 20 30 DIEDMO CC[C@H](C[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886993 1047990837 /nfs/dbraw/zinc/99/08/37/1047990837.db2.gz UDRDPPFATCOVRH-NQIIRXRSSA-N 1 1 322.452 4.107 20 30 DIEDMO CC[C@@H](C[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000775886992 1047991949 /nfs/dbraw/zinc/99/19/49/1047991949.db2.gz UDRDPPFATCOVRH-GHTZIAJQSA-N 1 1 322.452 4.107 20 30 DIEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000554053365 1047997583 /nfs/dbraw/zinc/99/75/83/1047997583.db2.gz LYRHKUYHXWDMKF-UHFFFAOYSA-N 1 1 312.457 4.306 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198707029 1047998694 /nfs/dbraw/zinc/99/86/94/1047998694.db2.gz QUVIKAQLMMNSRT-GOSISDBHSA-N 1 1 300.446 4.170 20 30 DIEDMO C#CC[N@H+](Cc1cc(-c2ccncc2)ccc1OC)C1CCCC1 ZINC000775929874 1048031541 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N#CCc1cccc2c1CC[N@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001175060824 1048088666 /nfs/dbraw/zinc/08/86/66/1048088666.db2.gz CXOUYACIWSLHGA-HXUWFJFHSA-N 1 1 322.839 4.452 20 30 DIEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271256 1048107718 /nfs/dbraw/zinc/10/77/18/1048107718.db2.gz YSBYDAPHYBLRPX-QAPCUYQASA-N 1 1 321.896 4.084 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(Cl)c(F)c3)sc2C1 ZINC001175204808 1048176401 /nfs/dbraw/zinc/17/64/01/1048176401.db2.gz WLEFXGSHJILKFV-UHFFFAOYSA-N 1 1 321.808 4.144 20 30 DIEDMO CCOc1ccc([C@@H](C)Nc2[nH+]ccc3[nH]cc(C#N)c32)cc1 ZINC001161977448 1048206528 /nfs/dbraw/zinc/20/65/28/1048206528.db2.gz PPGAILZURAGJPU-GFCCVEGCSA-N 1 1 306.369 4.006 20 30 DIEDMO Cc1ccc(C(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000480776384 1048244809 /nfs/dbraw/zinc/24/48/09/1048244809.db2.gz RAKJXHRHUMMJJX-UHFFFAOYSA-N 1 1 320.436 4.350 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](OC)c1ccccc1 ZINC000555012499 1048252994 /nfs/dbraw/zinc/25/29/94/1048252994.db2.gz DRBVZJFWOLDIJU-FQEVSTJZSA-N 1 1 308.425 4.158 20 30 DIEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cc1 ZINC000480872643 1048261025 /nfs/dbraw/zinc/26/10/25/1048261025.db2.gz IRZZKYNNDFSXSI-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(Cl)cc1C#N ZINC000481022147 1048291111 /nfs/dbraw/zinc/29/11/11/1048291111.db2.gz JGCMTBZCUVGLHY-UHFFFAOYSA-N 1 1 300.789 4.035 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Cl)cc1C#N ZINC000481022147 1048291121 /nfs/dbraw/zinc/29/11/21/1048291121.db2.gz JGCMTBZCUVGLHY-UHFFFAOYSA-N 1 1 300.789 4.035 20 30 DIEDMO N#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC001201475121 1048294937 /nfs/dbraw/zinc/29/49/37/1048294937.db2.gz SKSKNLZLHRXHQX-MSOLQXFVSA-N 1 1 321.449 4.352 20 30 DIEDMO CCCCCCCCCCCN1CC[NH+](CCCOC)CC1 ZINC001201631128 1048327462 /nfs/dbraw/zinc/32/74/62/1048327462.db2.gz MEJDTNICZLUXTA-UHFFFAOYSA-N 1 1 312.542 4.171 20 30 DIEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC001201673395 1048341033 /nfs/dbraw/zinc/34/10/33/1048341033.db2.gz IKDPAYZEKIIIFY-NRFANRHFSA-N 1 1 320.436 4.034 20 30 DIEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000481240755 1048341501 /nfs/dbraw/zinc/34/15/01/1048341501.db2.gz SQEORCFTHIHSMF-UHFFFAOYSA-N 1 1 324.424 4.315 20 30 DIEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c1 ZINC001201673396 1048342073 /nfs/dbraw/zinc/34/20/73/1048342073.db2.gz IKDPAYZEKIIIFY-OAQYLSRUSA-N 1 1 320.436 4.034 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccncc2C)cc1 ZINC001162723640 1048343337 /nfs/dbraw/zinc/34/33/37/1048343337.db2.gz WDVSUXXDGBTGDE-HXUWFJFHSA-N 1 1 307.441 4.325 20 30 DIEDMO Cc1cc(C#N)cc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175506926 1048346065 /nfs/dbraw/zinc/34/60/65/1048346065.db2.gz JVHLTHBNLKLSAS-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO C#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001175507272 1048346759 /nfs/dbraw/zinc/34/67/59/1048346759.db2.gz OJGSTIYMYYGSGI-UHFFFAOYSA-N 1 1 306.384 4.009 20 30 DIEDMO CCCCCCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899504763 1048350031 /nfs/dbraw/zinc/35/00/31/1048350031.db2.gz TXZBFTFLSXYYCY-UHFFFAOYSA-N 1 1 305.466 4.093 20 30 DIEDMO Cc1[nH+]c2ccccn2c1Nc1ccc(C(F)(F)F)cc1C#N ZINC001201692080 1048357989 /nfs/dbraw/zinc/35/79/89/1048357989.db2.gz ZIEQPNQHOKURSX-UHFFFAOYSA-N 1 1 316.286 4.277 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3[nH]ccc3c2)C2CC2)cc1 ZINC000600112612 1048363839 /nfs/dbraw/zinc/36/38/39/1048363839.db2.gz SHOPBMYPTCZAJR-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO CCCCCCC[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001201777249 1048375931 /nfs/dbraw/zinc/37/59/31/1048375931.db2.gz UNZHIIWRNMCTOI-MRXNPFEDSA-N 1 1 319.493 4.157 20 30 DIEDMO CCCCCCC[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001201777249 1048375945 /nfs/dbraw/zinc/37/59/45/1048375945.db2.gz UNZHIIWRNMCTOI-MRXNPFEDSA-N 1 1 319.493 4.157 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC001175621894 1048376615 /nfs/dbraw/zinc/37/66/15/1048376615.db2.gz MTSXLPWYENEPAF-AWEZNQCLSA-N 1 1 324.262 4.173 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC001175621894 1048376631 /nfs/dbraw/zinc/37/66/31/1048376631.db2.gz MTSXLPWYENEPAF-AWEZNQCLSA-N 1 1 324.262 4.173 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1cccc(C(F)(F)F)c1)C2 ZINC000600175917 1048378714 /nfs/dbraw/zinc/37/87/14/1048378714.db2.gz KAXWGWDNMCSGAF-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO C=CC[C@@H](Nc1nc(N2CCCC2)c(C)c[nH+]1)c1ccccc1 ZINC001162901838 1048380954 /nfs/dbraw/zinc/38/09/54/1048380954.db2.gz DVKZXYNFKPBPHN-QGZVFWFLSA-N 1 1 308.429 4.115 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001201826016 1048382945 /nfs/dbraw/zinc/38/29/45/1048382945.db2.gz KUPYMKFSCHHRJP-INIZCTEOSA-N 1 1 312.498 4.194 20 30 DIEDMO C=C(C)CC[N@H+]1CC[C@@](CNC(=O)OC(C)(C)C)(C(C)(C)C)C1 ZINC001175632212 1048382990 /nfs/dbraw/zinc/38/29/90/1048382990.db2.gz YZZMOMPLIKCYJO-IBGZPJMESA-N 1 1 324.509 4.216 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001201846893 1048389479 /nfs/dbraw/zinc/38/94/79/1048389479.db2.gz OTNABNTYPPTUNY-OALUTQOASA-N 1 1 322.537 4.316 20 30 DIEDMO C=C(C)CNc1cccc(Br)c1C[NH+](CC)CC ZINC001163380637 1048463174 /nfs/dbraw/zinc/46/31/74/1048463174.db2.gz DRFQNQYARAQECW-UHFFFAOYSA-N 1 1 311.267 4.279 20 30 DIEDMO C=C(C)CN(Cc1ccccc1)c1[nH+]cnc2[nH]cc(CC)c21 ZINC001163210336 1048435702 /nfs/dbraw/zinc/43/57/02/1048435702.db2.gz OJOJRKHQUOGGKP-UHFFFAOYSA-N 1 1 306.413 4.103 20 30 DIEDMO C=C(C)c1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175859773 1048480591 /nfs/dbraw/zinc/48/05/91/1048480591.db2.gz DFKNBWBGIVBYPE-UHFFFAOYSA-N 1 1 308.425 4.296 20 30 DIEDMO Cc1ccc(C#N)c(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001163546172 1048486234 /nfs/dbraw/zinc/48/62/34/1048486234.db2.gz YFXAHYOZWYBSGN-GOSISDBHSA-N 1 1 323.465 4.018 20 30 DIEDMO [NH2+]=C(Nc1cc(F)cc2[nH]ccc21)c1ccc(C(F)(F)F)cc1 ZINC001163679692 1048503828 /nfs/dbraw/zinc/50/38/28/1048503828.db2.gz DEVZDXSMTOKPTM-UHFFFAOYSA-N 1 1 321.277 4.363 20 30 DIEDMO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000775166961 1048516649 /nfs/dbraw/zinc/51/66/49/1048516649.db2.gz FBBAUKIVGCSRTH-OAHLLOKOSA-N 1 1 312.388 4.057 20 30 DIEDMO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000775166961 1048516654 /nfs/dbraw/zinc/51/66/54/1048516654.db2.gz FBBAUKIVGCSRTH-OAHLLOKOSA-N 1 1 312.388 4.057 20 30 DIEDMO Cc1cc2[nH]c(C[N@H+](C)Cc3cccc(C#N)c3)cc2c(C)c1 ZINC000481929913 1048532152 /nfs/dbraw/zinc/53/21/52/1048532152.db2.gz WAGQPDYSUGWZKR-UHFFFAOYSA-N 1 1 303.409 4.288 20 30 DIEDMO N#CC1(c2ccnc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC001163844212 1048536347 /nfs/dbraw/zinc/53/63/47/1048536347.db2.gz ODVVPOSBJVYAHI-UHFFFAOYSA-N 1 1 320.440 4.242 20 30 DIEDMO N#Cc1cnc2cc(NC(=[NH2+])C34CC5CC(CC(C5)C3)C4)c[nH]c1-2 ZINC001163848193 1048538391 /nfs/dbraw/zinc/53/83/91/1048538391.db2.gz KYWXYOXSTYIMGR-UHFFFAOYSA-N 1 1 319.412 4.040 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccccc2N)cc1 ZINC001163890672 1048545240 /nfs/dbraw/zinc/54/52/40/1048545240.db2.gz HYXBRSJNKAADQA-FQEVSTJZSA-N 1 1 307.441 4.204 20 30 DIEDMO N#Cc1c(-c2ccc(Cl)cc2)csc1Nc1[nH]cc[nH+]1 ZINC001176082205 1048547469 /nfs/dbraw/zinc/54/74/69/1048547469.db2.gz ZGFCHEXSBHDYAO-UHFFFAOYSA-N 1 1 300.774 4.407 20 30 DIEDMO CCC[N@@H+](CCOCCC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000338923582 1048592923 /nfs/dbraw/zinc/59/29/23/1048592923.db2.gz CXMPHUHIHDYVAP-HNNXBMFYSA-N 1 1 300.402 4.136 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2cccc(OCCCC#N)c2)cc1 ZINC000159856254 1048602068 /nfs/dbraw/zinc/60/20/68/1048602068.db2.gz ZNJVCEWJRVKWBJ-UHFFFAOYSA-N 1 1 324.424 4.010 20 30 DIEDMO CC(C)([NH2+]Cc1ccnc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000850356940 1048636916 /nfs/dbraw/zinc/63/69/16/1048636916.db2.gz UXZOPDCSNMQRON-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO C=C(C)CN(CC)c1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001165140866 1048661169 /nfs/dbraw/zinc/66/11/69/1048661169.db2.gz CTUFMMUOKVIXFJ-SFHVURJKSA-N 1 1 301.478 4.421 20 30 DIEDMO C#CC[N@H+](CCc1ncc(C)cc1C)[C@@H]1CCCc2ccccc21 ZINC001176453387 1048687478 /nfs/dbraw/zinc/68/74/78/1048687478.db2.gz SXFVVAFAGJSIOD-JOCHJYFZSA-N 1 1 318.464 4.254 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCCc2ccccc21 ZINC001176451857 1048687864 /nfs/dbraw/zinc/68/78/64/1048687864.db2.gz GHOKDGALJHQRMN-NRFANRHFSA-N 1 1 305.421 4.208 20 30 DIEDMO C#CC[N@@H+](CCOCc1ccccc1)[C@H]1CCCc2ccccc21 ZINC001176453705 1048687883 /nfs/dbraw/zinc/68/78/83/1048687883.db2.gz XNTNQTIFXPLNGG-QFIPXVFZSA-N 1 1 319.448 4.216 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCc2ccccc21 ZINC001176454117 1048687917 /nfs/dbraw/zinc/68/79/17/1048687917.db2.gz ZDNFDTFNFFILCG-OAQYLSRUSA-N 1 1 318.395 4.210 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H]1CCCc2ccccc21 ZINC001176453700 1048688300 /nfs/dbraw/zinc/68/83/00/1048688300.db2.gz XMVOTDQFLHWJJE-QFIPXVFZSA-N 1 1 314.432 4.380 20 30 DIEDMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(OCCCC#N)c1 ZINC000160461082 1048693694 /nfs/dbraw/zinc/69/36/94/1048693694.db2.gz CDKAUXLYJPGVSE-UHFFFAOYSA-N 1 1 312.388 4.140 20 30 DIEDMO C=C(C)C[N@H+](Cc1cc2ccc(C)cc2[nH]1)Cc1ccc(CO)o1 ZINC000668145258 1048693900 /nfs/dbraw/zinc/69/39/00/1048693900.db2.gz GZFJSPVYKOUWKE-UHFFFAOYSA-N 1 1 324.424 4.140 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cc2ccc(C)cc2[nH]1)Cc1ccc(CO)o1 ZINC000668145258 1048693909 /nfs/dbraw/zinc/69/39/09/1048693909.db2.gz GZFJSPVYKOUWKE-UHFFFAOYSA-N 1 1 324.424 4.140 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCCc2ccncc2)cc1 ZINC001165585087 1048700915 /nfs/dbraw/zinc/70/09/15/1048700915.db2.gz VNKAZUCNIVMGTL-OAQYLSRUSA-N 1 1 321.468 4.449 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2NC1CCC(C(F)(F)F)CC1 ZINC001165599893 1048702371 /nfs/dbraw/zinc/70/23/71/1048702371.db2.gz QNFKILCOUUDJCZ-UHFFFAOYSA-N 1 1 324.350 4.150 20 30 DIEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1F ZINC000160727038 1048735050 /nfs/dbraw/zinc/73/50/50/1048735050.db2.gz IKAAAAMBOCYNGF-UHFFFAOYSA-N 1 1 312.388 4.140 20 30 DIEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccc1F ZINC000160727038 1048735057 /nfs/dbraw/zinc/73/50/57/1048735057.db2.gz IKAAAAMBOCYNGF-UHFFFAOYSA-N 1 1 312.388 4.140 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(Cl)cc1 ZINC001190485033 1048739178 /nfs/dbraw/zinc/73/91/78/1048739178.db2.gz GCCSNUZMLDUPPD-GOSISDBHSA-N 1 1 319.807 4.201 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(Cl)cc1 ZINC001190485033 1048739189 /nfs/dbraw/zinc/73/91/89/1048739189.db2.gz GCCSNUZMLDUPPD-GOSISDBHSA-N 1 1 319.807 4.201 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC001190458137 1048741484 /nfs/dbraw/zinc/74/14/84/1048741484.db2.gz XNRWHBYNMNTXJU-UHFFFAOYSA-N 1 1 324.468 4.258 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(N(C)C(C)C)nc1 ZINC000483139103 1048744069 /nfs/dbraw/zinc/74/40/69/1048744069.db2.gz BKTJDLTWKOYXNL-UHFFFAOYSA-N 1 1 315.486 4.176 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(N(C)C(C)C)nc1 ZINC000483139103 1048744079 /nfs/dbraw/zinc/74/40/79/1048744079.db2.gz BKTJDLTWKOYXNL-UHFFFAOYSA-N 1 1 315.486 4.176 20 30 DIEDMO CC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503790 1048746513 /nfs/dbraw/zinc/74/65/13/1048746513.db2.gz XWWKXTYEMAZCRE-OAHLLOKOSA-N 1 1 311.347 4.201 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc2ccccc2c1 ZINC000483186878 1048755169 /nfs/dbraw/zinc/75/51/69/1048755169.db2.gz WWQYHUGXCFGZOY-UHFFFAOYSA-N 1 1 303.409 4.072 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000338933201 1048755537 /nfs/dbraw/zinc/75/55/37/1048755537.db2.gz HLKHJJYAAIVPJZ-SFHVURJKSA-N 1 1 308.425 4.180 20 30 DIEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CCc1ccccc1 ZINC001190582156 1048758845 /nfs/dbraw/zinc/75/88/45/1048758845.db2.gz QTGSRYNCDGOERA-UHFFFAOYSA-N 1 1 322.452 4.280 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)c1cccc(C#N)c1 ZINC001190597742 1048764375 /nfs/dbraw/zinc/76/43/75/1048764375.db2.gz TVNIVSAHDUUFPS-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000775398665 1048765136 /nfs/dbraw/zinc/76/51/36/1048765136.db2.gz KODDXKQAUWTMQH-MRXNPFEDSA-N 1 1 314.772 4.102 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC001190606180 1048767990 /nfs/dbraw/zinc/76/79/90/1048767990.db2.gz SDJMKPUQXNYTAK-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001190642300 1048768746 /nfs/dbraw/zinc/76/87/46/1048768746.db2.gz ATBMTEWFGVSYGF-INIZCTEOSA-N 1 1 301.393 4.179 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000775403370 1048774287 /nfs/dbraw/zinc/77/42/87/1048774287.db2.gz HCYMDGGRTLXTAK-SFHVURJKSA-N 1 1 308.425 4.113 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C ZINC001190707804 1048774692 /nfs/dbraw/zinc/77/46/92/1048774692.db2.gz NRKLDSGZRFVBEV-UHFFFAOYSA-N 1 1 301.792 4.423 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(Cl)cc1C ZINC001190707804 1048774700 /nfs/dbraw/zinc/77/47/00/1048774700.db2.gz NRKLDSGZRFVBEV-UHFFFAOYSA-N 1 1 301.792 4.423 20 30 DIEDMO CC[N@@H+](CCOCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000338937067 1048775238 /nfs/dbraw/zinc/77/52/38/1048775238.db2.gz TXCWCEHWJASOJX-CYBMUJFWSA-N 1 1 314.351 4.019 20 30 DIEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000483357182 1048783560 /nfs/dbraw/zinc/78/35/60/1048783560.db2.gz PBXSUUMRZJSJEH-HBMCJLEFSA-N 1 1 319.452 4.055 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cc(Br)ccc1F ZINC001190752898 1048783588 /nfs/dbraw/zinc/78/35/88/1048783588.db2.gz OXYRCUGNIGTSEV-UHFFFAOYSA-N 1 1 300.215 4.376 20 30 DIEDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC2(C#N)CCCCC2)cc1 ZINC001190753207 1048784454 /nfs/dbraw/zinc/78/44/54/1048784454.db2.gz QEFKIZCSBKYVKP-KRWDZBQOSA-N 1 1 314.473 4.422 20 30 DIEDMO COCC[N@@H+](CC[C@H]1CCC[C@H](C)C1)Cc1ccc(C#N)cc1 ZINC001190801916 1048789561 /nfs/dbraw/zinc/78/95/61/1048789561.db2.gz NXYDFEYHMKQGNV-ZWKOTPCHSA-N 1 1 314.473 4.223 20 30 DIEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cc1C ZINC001190828960 1048791830 /nfs/dbraw/zinc/79/18/30/1048791830.db2.gz YANXXXAACNOKTI-UHFFFAOYSA-N 1 1 300.446 4.300 20 30 DIEDMO N#Cc1cccc(OCCC[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC001190811892 1048797014 /nfs/dbraw/zinc/79/70/14/1048797014.db2.gz YUOKFDGZTYIEBD-UHFFFAOYSA-N 1 1 312.457 4.372 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC001176904009 1048805717 /nfs/dbraw/zinc/80/57/17/1048805717.db2.gz MIHYKNWHMNNPPF-ROUUACIJSA-N 1 1 308.510 4.212 20 30 DIEDMO C=CC[N@H+](C[C@H](Cc1ccccc1)OC)CC1CCCCC1 ZINC001190984571 1048810376 /nfs/dbraw/zinc/81/03/76/1048810376.db2.gz JUXHCHWUKNIWLD-FQEVSTJZSA-N 1 1 301.474 4.312 20 30 DIEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984676 1048810659 /nfs/dbraw/zinc/81/06/59/1048810659.db2.gz KWOMMLZXYNSOPI-MJGOQNOKSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@H]1C)CC1CCCCC1 ZINC001190984675 1048811904 /nfs/dbraw/zinc/81/19/04/1048811904.db2.gz KWOMMLZXYNSOPI-IEBWSBKVSA-N 1 1 320.521 4.092 20 30 DIEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCCCC1 ZINC001190984727 1048814993 /nfs/dbraw/zinc/81/49/93/1048814993.db2.gz LHTQBNGGFLCHHB-UHFFFAOYSA-N 1 1 318.417 4.172 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)c1)CC1CCCCC1 ZINC001190985825 1048815375 /nfs/dbraw/zinc/81/53/75/1048815375.db2.gz UHUZPFTVGPSILL-UHFFFAOYSA-N 1 1 301.430 4.042 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc2ccccc21 ZINC000483521279 1048815093 /nfs/dbraw/zinc/81/50/93/1048815093.db2.gz VUPKTZZYBGYTCI-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C=CC[N@H+](CCCN(CC)CC(F)(F)F)CC1CCCCC1 ZINC001190985517 1048815985 /nfs/dbraw/zinc/81/59/85/1048815985.db2.gz QFGOPKMSYQYCLL-UHFFFAOYSA-N 1 1 320.443 4.329 20 30 DIEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CCN(C)C(=O)OC(C)(C)C ZINC001177021538 1048818010 /nfs/dbraw/zinc/81/80/10/1048818010.db2.gz ASUBGBAMKTXRLS-INIZCTEOSA-N 1 1 310.482 4.064 20 30 DIEDMO C=CCCCC[N@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177039103 1048821904 /nfs/dbraw/zinc/82/19/04/1048821904.db2.gz TVOJXJQOTDPOMU-MRXNPFEDSA-N 1 1 310.482 4.064 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328620 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DIEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC001191181133 1048889092 /nfs/dbraw/zinc/88/90/92/1048889092.db2.gz DXVWAGVYMUYZHV-OXJNMPFZSA-N 1 1 305.425 4.235 20 30 DIEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC001191181133 1048889109 /nfs/dbraw/zinc/88/91/09/1048889109.db2.gz DXVWAGVYMUYZHV-OXJNMPFZSA-N 1 1 305.425 4.235 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC001203449766 1048903521 /nfs/dbraw/zinc/90/35/21/1048903521.db2.gz TVJSELGYWCGIDI-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC001191233275 1048905077 /nfs/dbraw/zinc/90/50/77/1048905077.db2.gz MKFKQWSAEVPYQJ-WOJBJXKFSA-N 1 1 305.425 4.111 20 30 DIEDMO CCCCCCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001191233687 1048905854 /nfs/dbraw/zinc/90/58/54/1048905854.db2.gz PJLKESHQIALJME-FQEVSTJZSA-N 1 1 302.506 4.411 20 30 DIEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001191233687 1048905871 /nfs/dbraw/zinc/90/58/71/1048905871.db2.gz 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ZINC000484358239 1048926308 /nfs/dbraw/zinc/92/63/08/1048926308.db2.gz ZMRYWPCIKZPHAP-IIBYNOLFSA-N 1 1 320.436 4.255 20 30 DIEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000484336222 1048926900 /nfs/dbraw/zinc/92/69/00/1048926900.db2.gz JLIJXVYUAPOPHJ-OAHLLOKOSA-N 1 1 313.338 4.088 20 30 DIEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000484336222 1048926914 /nfs/dbraw/zinc/92/69/14/1048926914.db2.gz JLIJXVYUAPOPHJ-OAHLLOKOSA-N 1 1 313.338 4.088 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(C#N)c2)n1 ZINC001191529624 1048956939 /nfs/dbraw/zinc/95/69/39/1048956939.db2.gz GJBSJGDZNMBJRT-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(C#N)c2)n1 ZINC001191529624 1048956956 /nfs/dbraw/zinc/95/69/56/1048956956.db2.gz GJBSJGDZNMBJRT-SFHVURJKSA-N 1 1 311.816 4.252 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000854430133 1048970279 /nfs/dbraw/zinc/97/02/79/1048970279.db2.gz DXVXWFJAXCFUMJ-KAKFPZCNSA-N 1 1 322.537 4.457 20 30 DIEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1F)CC1CCCCC1 ZINC000484573459 1048972059 /nfs/dbraw/zinc/97/20/59/1048972059.db2.gz XSUVLBUUVKVDHS-UHFFFAOYSA-N 1 1 318.436 4.141 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000338960459 1048975495 /nfs/dbraw/zinc/97/54/95/1048975495.db2.gz BJVKQWUODRAGON-CYBMUJFWSA-N 1 1 314.376 4.174 20 30 DIEDMO Fc1ccc(C#CC[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC001191646909 1048976823 /nfs/dbraw/zinc/97/68/23/1048976823.db2.gz WLSLZMWUALGCOS-OAQYLSRUSA-N 1 1 305.396 4.329 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001191656449 1048978864 /nfs/dbraw/zinc/97/88/64/1048978864.db2.gz XMLRCLABIFHPGM-IBGZPJMESA-N 1 1 317.473 4.337 20 30 DIEDMO CCCCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001191656449 1048978867 /nfs/dbraw/zinc/97/88/67/1048978867.db2.gz XMLRCLABIFHPGM-IBGZPJMESA-N 1 1 317.473 4.337 20 30 DIEDMO N#Cc1cn(-c2ccc([NH+]3CCCCC3)cc2)c2ccc(N)cc12 ZINC001203723855 1048980076 /nfs/dbraw/zinc/98/00/76/1048980076.db2.gz ASCDNHQMPSDXEI-UHFFFAOYSA-N 1 1 316.408 4.075 20 30 DIEDMO C=C(CC)C[N@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691144 1048983637 /nfs/dbraw/zinc/98/36/37/1048983637.db2.gz LGCAGXCMAVWYMM-DLBZAZTESA-N 1 1 322.493 4.207 20 30 DIEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1cccc(C#N)c1 ZINC001203764589 1048993708 /nfs/dbraw/zinc/99/37/08/1048993708.db2.gz IKJDWELUSXEPEN-UHFFFAOYSA-N 1 1 318.342 4.252 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001203764163 1048993965 /nfs/dbraw/zinc/99/39/65/1048993965.db2.gz ZYVGIIKAHRPZRO-HXUWFJFHSA-N 1 1 320.436 4.022 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000776794706 1049013363 /nfs/dbraw/zinc/01/33/63/1049013363.db2.gz HCXVEGHNGZZNPE-OAQYLSRUSA-N 1 1 319.452 4.270 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC001203838197 1049014439 /nfs/dbraw/zinc/01/44/39/1049014439.db2.gz QULREZJCIDXOGX-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1CCC(C)C ZINC001191919609 1049016656 /nfs/dbraw/zinc/01/66/56/1049016656.db2.gz DAIDECFGHMYEIY-SFHVURJKSA-N 1 1 300.446 4.358 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCSCC2)cc1 ZINC001203905919 1049026926 /nfs/dbraw/zinc/02/69/26/1049026926.db2.gz HIKBRBJZBKYNII-UHFFFAOYSA-N 1 1 322.477 4.456 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1 ZINC001203906287 1049029046 /nfs/dbraw/zinc/02/90/46/1049029046.db2.gz MKWFMSMWXOQYSX-SFHVURJKSA-N 1 1 312.413 4.064 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001151993859 1049049397 /nfs/dbraw/zinc/04/93/97/1049049397.db2.gz YWHHOKMATVUHJQ-OTWHNJEPSA-N 1 1 322.537 4.316 20 30 DIEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2CCC2CCCC2)c1 ZINC001192234679 1049066522 /nfs/dbraw/zinc/06/65/22/1049066522.db2.gz TXAVNMISJNJJEL-UXHICEINSA-N 1 1 312.457 4.026 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001192304224 1049082622 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C=CCOc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001204299875 1049133894 /nfs/dbraw/zinc/13/38/94/1049133894.db2.gz CPPXJQFSCFSAAR-HXUWFJFHSA-N 1 1 323.436 4.043 20 30 DIEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N ZINC001204306113 1049137040 /nfs/dbraw/zinc/13/70/40/1049137040.db2.gz GFEFZOAYZUHNEW-KUHUBIRLSA-N 1 1 324.399 4.289 20 30 DIEDMO CCCCCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001204316866 1049139698 /nfs/dbraw/zinc/13/96/98/1049139698.db2.gz WMDFWGNQVJIOLJ-KRWDZBQOSA-N 1 1 300.446 4.381 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cc(C)cc(C)c1 ZINC001179222639 1049142709 /nfs/dbraw/zinc/14/27/09/1049142709.db2.gz LVWIEFQSYHCXEB-UHFFFAOYSA-N 1 1 313.828 4.259 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2c(C)noc2C)no1 ZINC000904732784 1049143489 /nfs/dbraw/zinc/14/34/89/1049143489.db2.gz DHPRTGIGRVESHR-ZDUSSCGKSA-N 1 1 306.410 4.092 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OCC)c(OC)c1)C1CCCCC1 ZINC001204362091 1049151962 /nfs/dbraw/zinc/15/19/62/1049151962.db2.gz QFEQFZOBPSKYNP-UHFFFAOYSA-N 1 1 303.446 4.415 20 30 DIEDMO CCCCCCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001204368937 1049153136 /nfs/dbraw/zinc/15/31/36/1049153136.db2.gz KCKBQMDNIVAWLD-IBGZPJMESA-N 1 1 300.446 4.381 20 30 DIEDMO CCCCCCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001204368937 1049153140 /nfs/dbraw/zinc/15/31/40/1049153140.db2.gz KCKBQMDNIVAWLD-IBGZPJMESA-N 1 1 300.446 4.381 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001204374849 1049153609 /nfs/dbraw/zinc/15/36/09/1049153609.db2.gz KVPSPCKLWMXECN-NRFANRHFSA-N 1 1 320.411 4.177 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001204374805 1049153619 /nfs/dbraw/zinc/15/36/19/1049153619.db2.gz HWTUIEVHSWORAX-IBGZPJMESA-N 1 1 304.437 4.403 20 30 DIEDMO CCCC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC001204429177 1049162280 /nfs/dbraw/zinc/16/22/80/1049162280.db2.gz CATWRRNNVAGPKG-UHFFFAOYSA-N 1 1 300.324 4.101 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC001204429177 1049162287 /nfs/dbraw/zinc/16/22/87/1049162287.db2.gz CATWRRNNVAGPKG-UHFFFAOYSA-N 1 1 300.324 4.101 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204489070 1049174501 /nfs/dbraw/zinc/17/45/01/1049174501.db2.gz DBVWQTMRYULJOC-XYYAHUGASA-N 1 1 312.310 4.111 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C(F)(F)F)c1 ZINC001204489070 1049174508 /nfs/dbraw/zinc/17/45/08/1049174508.db2.gz DBVWQTMRYULJOC-XYYAHUGASA-N 1 1 312.310 4.111 20 30 DIEDMO C#CC[N@H+](Cc1cccc(Br)c1F)C1CCCCC1 ZINC001204496903 1049175829 /nfs/dbraw/zinc/17/58/29/1049175829.db2.gz KDEQFHWJGAMKIV-UHFFFAOYSA-N 1 1 324.237 4.356 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589481 1049196158 /nfs/dbraw/zinc/19/61/58/1049196158.db2.gz PGCNELXNZPUKOU-IAGOWNOFSA-N 1 1 322.493 4.064 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000775589482 1049196251 /nfs/dbraw/zinc/19/62/51/1049196251.db2.gz PGCNELXNZPUKOU-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO N#CC1(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CCC1 ZINC001179771809 1049202420 /nfs/dbraw/zinc/20/24/20/1049202420.db2.gz ODDAVJSYOAIROM-UHFFFAOYSA-N 1 1 323.223 4.053 20 30 DIEDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001193473907 1049214509 /nfs/dbraw/zinc/21/45/09/1049214509.db2.gz RQSNGOFGKYDKNS-NRFANRHFSA-N 1 1 320.436 4.226 20 30 DIEDMO COc1cc(C[N@@H+](C)CC(C)(C)c2ccc(C)cc2)ccc1C#N ZINC001179877975 1049225641 /nfs/dbraw/zinc/22/56/41/1049225641.db2.gz LKCNKWJCEUVFMW-UHFFFAOYSA-N 1 1 322.452 4.285 20 30 DIEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)ccc1C#N ZINC001179937719 1049233538 /nfs/dbraw/zinc/23/35/38/1049233538.db2.gz PDEZJLALMDFDRX-IFXJQAMLSA-N 1 1 324.399 4.289 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)n1 ZINC001179973553 1049241056 /nfs/dbraw/zinc/24/10/56/1049241056.db2.gz CFLGQZAAWKWDES-DZFTYQQFSA-N 1 1 317.436 4.411 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)c(OC)c1 ZINC001179997605 1049246108 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CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1F ZINC001204803651 1049270326 /nfs/dbraw/zinc/27/03/26/1049270326.db2.gz QHEGTJRBASGLPU-UHFFFAOYSA-N 1 1 318.342 4.388 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOc2ccccc21 ZINC001204803598 1049270350 /nfs/dbraw/zinc/27/03/50/1049270350.db2.gz OHSBSLXIGAQJLD-IBGZPJMESA-N 1 1 320.436 4.337 20 30 DIEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2ccc(C)c(F)c2)CCCC1(C)C ZINC001193920071 1049281289 /nfs/dbraw/zinc/28/12/89/1049281289.db2.gz JCNWOXWBAOSDOJ-QGZVFWFLSA-N 1 1 318.436 4.139 20 30 DIEDMO C#CC[N@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)CC1CC1 ZINC001180115993 1049290644 /nfs/dbraw/zinc/29/06/44/1049290644.db2.gz FLXBSANGAOFJAX-UHFFFAOYSA-N 1 1 321.420 4.333 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC001180170627 1049306418 /nfs/dbraw/zinc/30/64/18/1049306418.db2.gz PUGVBXFSCJYZSQ-UXHICEINSA-N 1 1 305.425 4.111 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCc4ccc(Cl)cc4C3)cc2)CC1 ZINC001180218848 1049310929 /nfs/dbraw/zinc/31/09/29/1049310929.db2.gz GANGMMDYLJSYBT-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CCc4ccc(Cl)cc4C3)cc2)CC1 ZINC001180218848 1049310945 /nfs/dbraw/zinc/31/09/45/1049310945.db2.gz GANGMMDYLJSYBT-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO C=CCCCCC[N@@H+](C)Cc1cccc(O)c1Br ZINC001180199420 1049317220 /nfs/dbraw/zinc/31/72/20/1049317220.db2.gz SROJFAAIFORWLH-UHFFFAOYSA-N 1 1 312.251 4.333 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cccc(O)c1Br ZINC001180199420 1049317231 /nfs/dbraw/zinc/31/72/31/1049317231.db2.gz SROJFAAIFORWLH-UHFFFAOYSA-N 1 1 312.251 4.333 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](CCCc2c(Cl)cccc2Cl)C1 ZINC001204960840 1049323720 /nfs/dbraw/zinc/32/37/20/1049323720.db2.gz JOCUANSVECFWQC-CYBMUJFWSA-N 1 1 314.256 4.203 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3nonc3c2)cc1 ZINC001204966749 1049326906 /nfs/dbraw/zinc/32/69/06/1049326906.db2.gz UELUNVANJQSGAP-IBGZPJMESA-N 1 1 305.381 4.213 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3oc4ccccc4c3c2)C1 ZINC001180317576 1049328580 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CC[N@@H+](Cc1csc(C#N)c1)[C@@H](C)Cc1ccc(OC)cc1 ZINC001205059759 1049360870 /nfs/dbraw/zinc/36/08/70/1049360870.db2.gz DFCYPBQEWUDNHV-AWEZNQCLSA-N 1 1 314.454 4.081 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccc1N(C)C ZINC001205123192 1049386432 /nfs/dbraw/zinc/38/64/32/1049386432.db2.gz JWOPXXKZIDWFIJ-UHFFFAOYSA-N 1 1 321.468 4.345 20 30 DIEDMO C#CC[N@@H+](Cc1cccc2[nH]ccc21)[C@@H]1CCc2ccccc21 ZINC001205290007 1049429051 /nfs/dbraw/zinc/42/90/51/1049429051.db2.gz YJRPNEWXBRJEMJ-OAQYLSRUSA-N 1 1 300.405 4.291 20 30 DIEDMO N#Cc1ccnc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC001194914484 1049447014 /nfs/dbraw/zinc/44/70/14/1049447014.db2.gz MMKIAYOOQNRPGD-IBGZPJMESA-N 1 1 303.409 4.071 20 30 DIEDMO N#Cc1ccnc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC001194914484 1049447019 /nfs/dbraw/zinc/44/70/19/1049447019.db2.gz MMKIAYOOQNRPGD-IBGZPJMESA-N 1 1 303.409 4.071 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]2C ZINC001205353909 1049447552 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COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1Cl ZINC001195222244 1049499461 /nfs/dbraw/zinc/49/94/61/1049499461.db2.gz AURHPWFVGKAWKG-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC001195279004 1049508377 /nfs/dbraw/zinc/50/83/77/1049508377.db2.gz MCVBPBOZKZODEX-WBVHZDCISA-N 1 1 315.417 4.113 20 30 DIEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@@H](C)CCC=C(C)C)n1 ZINC001205620201 1049513157 /nfs/dbraw/zinc/51/31/57/1049513157.db2.gz CZKFDVGZIFOUCO-SFHVURJKSA-N 1 1 301.478 4.111 20 30 DIEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@H](C)CCC=C(C)C)n1 ZINC001205620199 1049514727 /nfs/dbraw/zinc/51/47/27/1049514727.db2.gz CZKFDVGZIFOUCO-GOSISDBHSA-N 1 1 301.478 4.111 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC001195358146 1049518431 /nfs/dbraw/zinc/51/84/31/1049518431.db2.gz MBTJHFBEYYVHHJ-MRXNPFEDSA-N 1 1 308.425 4.192 20 30 DIEDMO C=CC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1)C(=O)OCC ZINC001205660077 1049525662 /nfs/dbraw/zinc/52/56/62/1049525662.db2.gz LANMEXLHQIHTQT-LULLPPNCSA-N 1 1 315.457 4.056 20 30 DIEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001195463336 1049530956 /nfs/dbraw/zinc/53/09/56/1049530956.db2.gz LANZTIQAEMGMEK-SFHVURJKSA-N 1 1 324.493 4.164 20 30 DIEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1F ZINC001205706732 1049540167 /nfs/dbraw/zinc/54/01/67/1049540167.db2.gz SKQYVDSFGXZPJV-UHFFFAOYSA-N 1 1 314.791 4.025 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cnoc1)Cc1ccc(C#N)cc1 ZINC001205724423 1049543369 /nfs/dbraw/zinc/54/33/69/1049543369.db2.gz OLKZBEUZILFNQF-INIZCTEOSA-N 1 1 317.392 4.310 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cnoc1)Cc1ccc(C#N)cc1 ZINC001205724423 1049543384 /nfs/dbraw/zinc/54/33/84/1049543384.db2.gz OLKZBEUZILFNQF-INIZCTEOSA-N 1 1 317.392 4.310 20 30 DIEDMO C#C[C@@H]([NH2+]C[C@@H](OC)C1CCCCC1)c1ccc(Cl)cc1F ZINC001205755709 1049553656 /nfs/dbraw/zinc/55/36/56/1049553656.db2.gz MYKILJAPQNGJTA-QZTJIDSGSA-N 1 1 323.839 4.338 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cc(C)nc(C)c2)no1 ZINC001205832130 1049577937 /nfs/dbraw/zinc/57/79/37/1049577937.db2.gz YCLPPDAVOSMLNG-INIZCTEOSA-N 1 1 316.449 4.499 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC001205831785 1049578871 /nfs/dbraw/zinc/57/88/71/1049578871.db2.gz QXAPVCDDWNQLDJ-AWEZNQCLSA-N 1 1 302.422 4.190 20 30 DIEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(c3ccco3)CC2)c1 ZINC001195937507 1049585714 /nfs/dbraw/zinc/58/57/14/1049585714.db2.gz FTGMOTQDZRSGEP-UHFFFAOYSA-N 1 1 300.789 4.184 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1 ZINC000794561733 1049593332 /nfs/dbraw/zinc/59/33/32/1049593332.db2.gz JQOSDIPHCAAIJZ-LJQANCHMSA-N 1 1 302.377 4.196 20 30 DIEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC001195945992 1049597357 /nfs/dbraw/zinc/59/73/57/1049597357.db2.gz DUSXFMVSZUPJSJ-OAHLLOKOSA-N 1 1 323.436 4.070 20 30 DIEDMO C=CCCCCC[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000488145932 1049605051 /nfs/dbraw/zinc/60/50/51/1049605051.db2.gz HFRIPBRIYAHELB-UHFFFAOYSA-N 1 1 302.462 4.310 20 30 DIEDMO C#C[C@@H]([NH2+][C@@H](C)c1nccc2ccccc21)c1ccc(F)cc1 ZINC001205973976 1049615194 /nfs/dbraw/zinc/61/51/94/1049615194.db2.gz KDSAVIFBCSWDQY-IFXJQAMLSA-N 1 1 304.368 4.399 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)c1)c1ccc(F)cc1 ZINC001205981003 1049617061 /nfs/dbraw/zinc/61/70/61/1049617061.db2.gz VFCFPAYCIPJZMZ-IBGZPJMESA-N 1 1 311.400 4.467 20 30 DIEDMO C=CC[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C ZINC001196189199 1049624483 /nfs/dbraw/zinc/62/44/83/1049624483.db2.gz RHWXABAHGQCFLE-UHFFFAOYSA-N 1 1 319.836 4.219 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC001196237515 1049636079 /nfs/dbraw/zinc/63/60/79/1049636079.db2.gz MNHWBJFLMKACSM-UHFFFAOYSA-N 1 1 324.399 4.118 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1F)CC1CC1 ZINC001196237515 1049636086 /nfs/dbraw/zinc/63/60/86/1049636086.db2.gz MNHWBJFLMKACSM-UHFFFAOYSA-N 1 1 324.399 4.118 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OCCC2CCCCC2)C1 ZINC001206040953 1049638072 /nfs/dbraw/zinc/63/80/72/1049638072.db2.gz IREXRBQWCBOWKX-FQEVSTJZSA-N 1 1 312.457 4.120 20 30 DIEDMO C=C(C)C[N@@H+](C)CCSc1ccnc2cc(Cl)ccc21 ZINC001196302701 1049640384 /nfs/dbraw/zinc/64/03/84/1049640384.db2.gz NMJFFQZZRIJNTQ-UHFFFAOYSA-N 1 1 306.862 4.488 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001196322644 1049641832 /nfs/dbraw/zinc/64/18/32/1049641832.db2.gz PFPKCTPEHGGKDW-IXDOHACOSA-N 1 1 316.832 4.016 20 30 DIEDMO COc1ccc(N[NH+]=C2CCCNc3ccccc32)cc1Cl ZINC000774410200 1049660248 /nfs/dbraw/zinc/66/02/48/1049660248.db2.gz PYOUFOBFRKOYTN-UHFFFAOYSA-N 1 1 315.804 4.371 20 30 DIEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000488594621 1049680649 /nfs/dbraw/zinc/68/06/49/1049680649.db2.gz QAHQGQKAQIYRIP-ZDUSSCGKSA-N 1 1 303.381 4.143 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000488594621 1049680653 /nfs/dbraw/zinc/68/06/53/1049680653.db2.gz QAHQGQKAQIYRIP-ZDUSSCGKSA-N 1 1 303.381 4.143 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+](Cc2sc(C)cc2Br)C1 ZINC001182542977 1049686131 /nfs/dbraw/zinc/68/61/31/1049686131.db2.gz ISYLADKLPFTRAP-GFCCVEGCSA-N 1 1 312.276 4.054 20 30 DIEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488674228 1049687129 /nfs/dbraw/zinc/68/71/29/1049687129.db2.gz PZYPVAYQSXNMDW-NEPJUHHUSA-N 1 1 300.324 4.128 20 30 DIEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488674228 1049687135 /nfs/dbraw/zinc/68/71/35/1049687135.db2.gz PZYPVAYQSXNMDW-NEPJUHHUSA-N 1 1 300.324 4.128 20 30 DIEDMO C[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196829302 1049691850 /nfs/dbraw/zinc/69/18/50/1049691850.db2.gz HDLYYLFWNJFZFY-SMDDNHRTSA-N 1 1 316.754 4.483 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC001196829302 1049691853 /nfs/dbraw/zinc/69/18/53/1049691853.db2.gz HDLYYLFWNJFZFY-SMDDNHRTSA-N 1 1 316.754 4.483 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)c(C#N)c1 ZINC001196906664 1049703833 /nfs/dbraw/zinc/70/38/33/1049703833.db2.gz CODKUQDNNWVAIV-UHFFFAOYSA-N 1 1 308.425 4.288 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](CC(C)(C)c2ccc(OC)c(OC)c2)C1 ZINC001182805778 1049713335 /nfs/dbraw/zinc/71/33/35/1049713335.db2.gz JWNMPLKHNROWRX-MRXNPFEDSA-N 1 1 317.473 4.270 20 30 DIEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c2ccccc2n1 ZINC001197105042 1049722632 /nfs/dbraw/zinc/72/26/32/1049722632.db2.gz OQAPZFJAGSNSAM-UHFFFAOYSA-N 1 1 315.420 4.089 20 30 DIEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC001206408686 1049729282 /nfs/dbraw/zinc/72/92/82/1049729282.db2.gz GAIJTUQEBUKNKE-KRWDZBQOSA-N 1 1 306.409 4.109 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)cn1)C1CCCCC1 ZINC001206547721 1049753969 /nfs/dbraw/zinc/75/39/69/1049753969.db2.gz MMMVKSWPGOUGDP-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO CCOc1cccc(Cl)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000570461783 1049757022 /nfs/dbraw/zinc/75/70/22/1049757022.db2.gz VCSXPZPNSLKIBW-CYBMUJFWSA-N 1 1 314.816 4.461 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000489440445 1049757660 /nfs/dbraw/zinc/75/76/60/1049757660.db2.gz PHBBKZINPGYJDY-INIZCTEOSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(OC)cc2)n1 ZINC000489440445 1049757666 /nfs/dbraw/zinc/75/76/66/1049757666.db2.gz PHBBKZINPGYJDY-INIZCTEOSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000489443926 1049758438 /nfs/dbraw/zinc/75/84/38/1049758438.db2.gz YHMVVRMMVMTDPN-INIZCTEOSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cccc(OC)c2)n1 ZINC000489443926 1049758447 /nfs/dbraw/zinc/75/84/47/1049758447.db2.gz YHMVVRMMVMTDPN-INIZCTEOSA-N 1 1 314.454 4.359 20 30 DIEDMO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001206569126 1049758435 /nfs/dbraw/zinc/75/84/35/1049758435.db2.gz SHOXZMMABDHLBD-CQSZACIVSA-N 1 1 314.429 4.310 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000489684102 1049773236 /nfs/dbraw/zinc/77/32/36/1049773236.db2.gz LZYMJKOTSREHFS-FQEVSTJZSA-N 1 1 324.399 4.433 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000489684102 1049773240 /nfs/dbraw/zinc/77/32/40/1049773240.db2.gz LZYMJKOTSREHFS-FQEVSTJZSA-N 1 1 324.399 4.433 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cccc2c(C#N)cccc12 ZINC001206744087 1049790670 /nfs/dbraw/zinc/79/06/70/1049790670.db2.gz QRLQAIUIZLLCGE-UHFFFAOYSA-N 1 1 302.381 4.225 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2sc(C)cc2Br)C1 ZINC001206800436 1049801884 /nfs/dbraw/zinc/80/18/84/1049801884.db2.gz KPTSSMQMYDDHMH-NSHDSACASA-N 1 1 300.265 4.217 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c(C)nn(C(=O)OC(C)(C)C)c1C ZINC001206814342 1049805726 /nfs/dbraw/zinc/80/57/26/1049805726.db2.gz NBESWWUIZGYCRN-UHFFFAOYSA-N 1 1 321.465 4.071 20 30 DIEDMO C[N@@H+](CCOc1ccc2ccccc2c1)Cc1cccc(C#N)c1 ZINC000029241034 1049818411 /nfs/dbraw/zinc/81/84/11/1049818411.db2.gz XUSVAKUKTXJXOJ-UHFFFAOYSA-N 1 1 316.404 4.222 20 30 DIEDMO Cn1cc(C[N@@H+](C)C(c2ccccc2)c2ccccc2)cc1C#N ZINC001207101993 1049834016 /nfs/dbraw/zinc/83/40/16/1049834016.db2.gz RBJCHYWDPCKJIK-UHFFFAOYSA-N 1 1 315.420 4.118 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CCC1CCCCC1)C2 ZINC001207256742 1049870413 /nfs/dbraw/zinc/87/04/13/1049870413.db2.gz LRPJZDOARPIPJE-VQTJNVASSA-N 1 1 321.505 4.031 20 30 DIEDMO C=C(C)C[NH+]1CCC(NC(c2ccccc2)c2ccccc2)CC1 ZINC000491038260 1049881950 /nfs/dbraw/zinc/88/19/50/1049881950.db2.gz OZXWDXIEDGSWHO-UHFFFAOYSA-N 1 1 320.480 4.406 20 30 DIEDMO C[C@@H](C#N)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000571500256 1049933635 /nfs/dbraw/zinc/93/36/35/1049933635.db2.gz DTUGLINPDWYIJB-AFCDSYGPSA-N 1 1 306.409 4.028 20 30 DIEDMO C=CCCCCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001207900240 1049952016 /nfs/dbraw/zinc/95/20/16/1049952016.db2.gz ZVWTYAYTLOYARW-LJQANCHMSA-N 1 1 307.478 4.465 20 30 DIEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000156721478 1049968966 /nfs/dbraw/zinc/96/89/66/1049968966.db2.gz FLCRSVKJASWOFK-RTWAWAEBSA-N 1 1 320.436 4.046 20 30 DIEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CCCC1CCCC1)C2 ZINC001208088902 1049972349 /nfs/dbraw/zinc/97/23/49/1049972349.db2.gz VFINBQKLVYIIPH-PMACEKPBSA-N 1 1 321.505 4.031 20 30 DIEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CCCC1CCCC1)C2 ZINC001208088905 1049972724 /nfs/dbraw/zinc/97/27/24/1049972724.db2.gz VFINBQKLVYIIPH-WOJBJXKFSA-N 1 1 321.505 4.031 20 30 DIEDMO N#C[C@H]1CCC[N@H+](CCCc2cccc(Br)c2)CC1 ZINC001208825186 1050012674 /nfs/dbraw/zinc/01/26/74/1050012674.db2.gz ANLOGHBAKKJKAP-HNNXBMFYSA-N 1 1 321.262 4.007 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001208176580 1049981497 /nfs/dbraw/zinc/98/14/97/1049981497.db2.gz HXEBKPNEZNXREH-WOJBJXKFSA-N 1 1 302.506 4.239 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001208176580 1049981498 /nfs/dbraw/zinc/98/14/98/1049981498.db2.gz HXEBKPNEZNXREH-WOJBJXKFSA-N 1 1 302.506 4.239 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nc(Cl)ccc3C2)CC1 ZINC001208177463 1049981592 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323.440 4.032 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000739930056 1050596964 /nfs/dbraw/zinc/59/69/64/1050596964.db2.gz HOUXOVYQUCHYLQ-UHFFFAOYSA-N 1 1 306.837 4.421 20 30 DIEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000739930150 1050598108 /nfs/dbraw/zinc/59/81/08/1050598108.db2.gz JALDALRBXWQYHI-INIZCTEOSA-N 1 1 315.379 4.417 20 30 DIEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000739929812 1050598246 /nfs/dbraw/zinc/59/82/46/1050598246.db2.gz GTUVIOOJLCMZBK-INIZCTEOSA-N 1 1 315.379 4.417 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](CC)c1ccccc1C ZINC001171197141 1050604362 /nfs/dbraw/zinc/60/43/62/1050604362.db2.gz DGFZHZILOVIPGJ-QGZVFWFLSA-N 1 1 306.413 4.489 20 30 DIEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595090626 1050609479 /nfs/dbraw/zinc/60/94/79/1050609479.db2.gz JMNJZAWKLSFNIP-AWEZNQCLSA-N 1 1 301.390 4.028 20 30 DIEDMO COC[C@@H]([NH2+]CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000595092005 1050611673 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DIEDMO CCCCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000741585231 1050713916 /nfs/dbraw/zinc/71/39/16/1050713916.db2.gz PAJNCXPJKIGTHK-MSOLQXFVSA-N 1 1 310.526 4.316 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001171222992 1050714476 /nfs/dbraw/zinc/71/44/76/1050714476.db2.gz KZMFINGMGMBBSD-KXBFYZLASA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccc(Cl)c1 ZINC001171223010 1050715148 /nfs/dbraw/zinc/71/51/48/1050715148.db2.gz LGHOOYFSHMLCAT-OAHLLOKOSA-N 1 1 312.844 4.317 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171225235 1050719840 /nfs/dbraw/zinc/71/98/40/1050719840.db2.gz YYIJQRFUGOUBNU-MRXNPFEDSA-N 1 1 308.425 4.020 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC2(CC(F)C2)CC1 ZINC001171228239 1050723751 /nfs/dbraw/zinc/72/37/51/1050723751.db2.gz FHVAQKDBWGFDRR-MNNVXMFVSA-N 1 1 300.421 4.093 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230820 1050724392 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N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000597172904 1050814186 /nfs/dbraw/zinc/81/41/86/1050814186.db2.gz GHSNFJKRMBGNLP-NSHDSACASA-N 1 1 314.763 4.067 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000597172904 1050814196 /nfs/dbraw/zinc/81/41/96/1050814196.db2.gz GHSNFJKRMBGNLP-NSHDSACASA-N 1 1 314.763 4.067 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)cc1 ZINC000060467219 1050814504 /nfs/dbraw/zinc/81/45/04/1050814504.db2.gz HLHQLWFEGLIPLF-LJQANCHMSA-N 1 1 306.409 4.083 20 30 DIEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1csc2ccccc12 ZINC000060468893 1050815200 /nfs/dbraw/zinc/81/52/00/1050815200.db2.gz XDJSGJGXCUIXJN-UHFFFAOYSA-N 1 1 322.433 4.284 20 30 DIEDMO C=C(CC)C[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001171309313 1050885610 /nfs/dbraw/zinc/88/56/10/1050885610.db2.gz XKQDFAYDBRFLJU-HNNXBMFYSA-N 1 1 308.263 4.422 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001148602122 1050955687 /nfs/dbraw/zinc/95/56/87/1050955687.db2.gz AHDAYGAYVLWDNL-KURKYZTESA-N 1 1 308.510 4.068 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1cccc(Cl)c1 ZINC000743257539 1051002715 /nfs/dbraw/zinc/00/27/15/1051002715.db2.gz HCJFHVQLJGOQKR-MRXNPFEDSA-N 1 1 307.846 4.123 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000773003519 1051016932 /nfs/dbraw/zinc/01/69/32/1051016932.db2.gz FACQETZJHVHKNL-LLVKDONJSA-N 1 1 310.228 4.237 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc2[nH+]c[nH]c2cc1F ZINC001171376290 1051043111 /nfs/dbraw/zinc/04/31/11/1051043111.db2.gz SBKVURBRDFWYJG-GFCCVEGCSA-N 1 1 311.360 4.440 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cn2cc[nH+]c2cc1OC ZINC001171375712 1051043703 /nfs/dbraw/zinc/04/37/03/1051043703.db2.gz BOLYGYBMQDKVCH-CQSZACIVSA-N 1 1 323.396 4.081 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000791565699 1051062562 /nfs/dbraw/zinc/06/25/62/1051062562.db2.gz HSPRUVLFJDWERZ-LJQANCHMSA-N 1 1 317.379 4.077 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000791565683 1051062814 /nfs/dbraw/zinc/06/28/14/1051062814.db2.gz HSPRUVLFJDWERZ-IBGZPJMESA-N 1 1 317.379 4.077 20 30 DIEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000743854154 1051076799 /nfs/dbraw/zinc/07/67/99/1051076799.db2.gz NCJGSGAXPSILFZ-CPUCHLNUSA-N 1 1 318.848 4.395 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743854959 1051077563 /nfs/dbraw/zinc/07/75/63/1051077563.db2.gz VMKUAAPLQBUKGH-FOIQADDNSA-N 1 1 324.399 4.311 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(Br)c2)C1 ZINC001171489939 1051143326 /nfs/dbraw/zinc/14/33/26/1051143326.db2.gz KMZWKVCMLGDIOO-UONOGXRCSA-N 1 1 306.247 4.245 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC2(CCC2)C1 ZINC001170206825 1051150034 /nfs/dbraw/zinc/15/00/34/1051150034.db2.gz XYBFGLXOPSIAPW-UHFFFAOYSA-N 1 1 301.478 4.422 20 30 DIEDMO Cc1c(C)n(C2CCCC2)c2nc[nH+]c(NCC(C)(C)S)c12 ZINC001170304994 1051179497 /nfs/dbraw/zinc/17/94/97/1051179497.db2.gz HBVKXWZVKMOHRJ-UHFFFAOYSA-N 1 1 318.490 4.284 20 30 DIEDMO CC(C)(S)CNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001170302361 1051180009 /nfs/dbraw/zinc/18/00/09/1051180009.db2.gz HOPQVNXYVRRBJI-UHFFFAOYSA-N 1 1 315.417 4.489 20 30 DIEDMO Fc1ccc(C#CC[NH2+]C2(c3ccccc3Cl)CCC2)cc1 ZINC001171700352 1051197630 /nfs/dbraw/zinc/19/76/30/1051197630.db2.gz PZWNFQFAEGALMG-UHFFFAOYSA-N 1 1 313.803 4.500 20 30 DIEDMO C[C@@H]1CC[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC001170378879 1051198884 /nfs/dbraw/zinc/19/88/84/1051198884.db2.gz MGLAEMCWAYNXIA-FAEJEUNOSA-N 1 1 318.411 4.368 20 30 DIEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1(F)F ZINC001170378879 1051198890 /nfs/dbraw/zinc/19/88/90/1051198890.db2.gz MGLAEMCWAYNXIA-FAEJEUNOSA-N 1 1 318.411 4.368 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001170376207 1051200044 /nfs/dbraw/zinc/20/00/44/1051200044.db2.gz LHUGGJXJMPIXIN-UHFFFAOYSA-N 1 1 316.448 4.449 20 30 DIEDMO C[C@@]1(F)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378641 1051200196 /nfs/dbraw/zinc/20/01/96/1051200196.db2.gz HGLAUEVNYBIROY-JLAWEPINSA-N 1 1 300.421 4.215 20 30 DIEDMO C#CCC[N@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000792943757 1051227627 /nfs/dbraw/zinc/22/76/27/1051227627.db2.gz UBAFZHRPKMJFAC-UHFFFAOYSA-N 1 1 309.253 4.179 20 30 DIEDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC001171773790 1051211121 /nfs/dbraw/zinc/21/11/21/1051211121.db2.gz ZOEPGTZDBJTECZ-LJQANCHMSA-N 1 1 312.363 4.000 20 30 DIEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC001171773790 1051211135 /nfs/dbraw/zinc/21/11/35/1051211135.db2.gz ZOEPGTZDBJTECZ-LJQANCHMSA-N 1 1 312.363 4.000 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847047 1051230419 /nfs/dbraw/zinc/23/04/19/1051230419.db2.gz HKUYURVOHVKFCI-UWJYYQICSA-N 1 1 309.453 4.031 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847044 1051230668 /nfs/dbraw/zinc/23/06/68/1051230668.db2.gz HKUYURVOHVKFCI-DYESRHJHSA-N 1 1 309.453 4.031 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC001171848048 1051232509 /nfs/dbraw/zinc/23/25/09/1051232509.db2.gz WKIUKAFKHIDMBI-OAHLLOKOSA-N 1 1 312.413 4.138 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(SC(F)(F)F)c1)[C@@H](C)COC ZINC001171917058 1051241972 /nfs/dbraw/zinc/24/19/72/1051241972.db2.gz TUDXDMXVCKQVBY-LBPRGKRZSA-N 1 1 319.392 4.321 20 30 DIEDMO CC(C)(C)OC(=O)C1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001171927210 1051251911 /nfs/dbraw/zinc/25/19/11/1051251911.db2.gz WVNLLDOISJVVLW-UHFFFAOYSA-N 1 1 320.477 4.045 20 30 DIEDMO CCCCCCCCCC[NH2+]C1CCN(CCCOC)CC1 ZINC001172245570 1051330176 /nfs/dbraw/zinc/33/01/76/1051330176.db2.gz WWYFOHDEYUBMTF-UHFFFAOYSA-N 1 1 312.542 4.218 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccccc1F ZINC001172307970 1051335484 /nfs/dbraw/zinc/33/54/84/1051335484.db2.gz RSJCQSUNDKPGTM-YWZLYKJASA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCSc2ccccc2C1 ZINC001172312587 1051337541 /nfs/dbraw/zinc/33/75/41/1051337541.db2.gz HIEODTDBBUYOBJ-OAHLLOKOSA-N 1 1 308.450 4.097 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001172317432 1051339601 /nfs/dbraw/zinc/33/96/01/1051339601.db2.gz RHBLKPADQZGKME-IERDGZPVSA-N 1 1 322.427 4.335 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001172317433 1051339879 /nfs/dbraw/zinc/33/98/79/1051339879.db2.gz RHBLKPADQZGKME-IIBYNOLFSA-N 1 1 322.427 4.335 20 30 DIEDMO CCCCCCC[C@@H](CC)[NH2+]Cc1noc(C(F)(F)F)n1 ZINC001172346144 1051364403 /nfs/dbraw/zinc/36/44/03/1051364403.db2.gz GJTUVJPJWAZAKU-LLVKDONJSA-N 1 1 307.360 4.317 20 30 DIEDMO CCCCCCC[C@H](CC)[NH2+][C@@H](CCSC)C(=O)OC ZINC001172345690 1051364812 /nfs/dbraw/zinc/36/48/12/1051364812.db2.gz BRONWZJRVSVXBO-GJZGRUSLSA-N 1 1 303.512 4.010 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001172356519 1051372246 /nfs/dbraw/zinc/37/22/46/1051372246.db2.gz WKWUZYKTPWVMLN-SJORKVTESA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001172356764 1051372695 /nfs/dbraw/zinc/37/26/95/1051372695.db2.gz YBLPPHPMPAZQQZ-SFHVURJKSA-N 1 1 312.542 4.168 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001172357161 1051372870 /nfs/dbraw/zinc/37/28/70/1051372870.db2.gz JCCIPENKSDACPH-KFWWJZLASA-N 1 1 309.416 4.228 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001172356913 1051372933 /nfs/dbraw/zinc/37/29/33/1051372933.db2.gz ZQHPCPPTYGPNBZ-IEBWSBKVSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172356516 1051373196 /nfs/dbraw/zinc/37/31/96/1051373196.db2.gz WKWUZYKTPWVMLN-DLBZAZTESA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362110 1051374513 /nfs/dbraw/zinc/37/45/13/1051374513.db2.gz SNAONYMLODRANX-BZSNNMDCSA-N 1 1 308.510 4.068 20 30 DIEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC001170450697 1051402714 /nfs/dbraw/zinc/40/27/14/1051402714.db2.gz FDUHJZDWIVJXKY-SFHVURJKSA-N 1 1 304.503 4.285 20 30 DIEDMO CCCCCC[C@](CC)([NH2+][C@@H](C)CCCC#N)C(=O)OCC ZINC001172487490 1051409080 /nfs/dbraw/zinc/40/90/80/1051409080.db2.gz BQNIQLZVZNOOBV-WMZOPIPTSA-N 1 1 310.482 4.341 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000746452395 1051418496 /nfs/dbraw/zinc/41/84/96/1051418496.db2.gz UJNFIXRMPDAPSL-QGZVFWFLSA-N 1 1 306.498 4.399 20 30 DIEDMO CCC[N@@H+]([C@H](C)CCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC001172498089 1051418770 /nfs/dbraw/zinc/41/87/70/1051418770.db2.gz IPPWIJAXSGNVJY-SJORKVTESA-N 1 1 315.461 4.116 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501772 1051420349 /nfs/dbraw/zinc/42/03/49/1051420349.db2.gz JZCPYQZRZYQJBD-CEXWTWQISA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCCC[C@H](CC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172501548 1051420791 /nfs/dbraw/zinc/42/07/91/1051420791.db2.gz DBHTWIGEXBGQME-IBGZPJMESA-N 1 1 324.553 4.216 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172503666 1051422108 /nfs/dbraw/zinc/42/21/08/1051422108.db2.gz ZNGGJKMIGJQJEM-DLBZAZTESA-N 1 1 317.539 4.025 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001172504935 1051423136 /nfs/dbraw/zinc/42/31/36/1051423136.db2.gz JDGVJLURRXLZQV-GFCCVEGCSA-N 1 1 300.324 4.099 20 30 DIEDMO CC[N@H+](Cc1ccccc1)C1CCN([C@H](C)CCCC#N)CC1 ZINC001172507446 1051424027 /nfs/dbraw/zinc/42/40/27/1051424027.db2.gz URDGMRZXGSIMPP-GOSISDBHSA-N 1 1 313.489 4.055 20 30 DIEDMO CC[N@@H+](Cc1ccccc1)C1CCN([C@H](C)CCCC#N)CC1 ZINC001172507446 1051424031 /nfs/dbraw/zinc/42/40/31/1051424031.db2.gz URDGMRZXGSIMPP-GOSISDBHSA-N 1 1 313.489 4.055 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001172505642 1051424563 /nfs/dbraw/zinc/42/45/63/1051424563.db2.gz QYQHSSCCMRDCNB-KZNAEPCWSA-N 1 1 308.510 4.211 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001172507704 1051424946 /nfs/dbraw/zinc/42/49/46/1051424946.db2.gz ADZIPYCYLRRSFV-IKGGRYGDSA-N 1 1 305.453 4.260 20 30 DIEDMO C[C@@H](CCCC#N)[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001172508376 1051425181 /nfs/dbraw/zinc/42/51/81/1051425181.db2.gz CKOAZUGTAJMKIU-INIZCTEOSA-N 1 1 302.487 4.467 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001172511766 1051428226 /nfs/dbraw/zinc/42/82/26/1051428226.db2.gz WPHWXKGBOHEGEY-DLBZAZTESA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172512084 1051428633 /nfs/dbraw/zinc/42/86/33/1051428633.db2.gz YNSVRPJRRIMIGS-IPMKNSEASA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001172512001 1051428867 /nfs/dbraw/zinc/42/88/67/1051428867.db2.gz XTVUUEMDZBDJBN-MSOLQXFVSA-N 1 1 306.498 4.444 20 30 DIEDMO Cc1cccc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001168875068 1051460741 /nfs/dbraw/zinc/46/07/41/1051460741.db2.gz VTQMQKQUQUUMQR-UHFFFAOYSA-N 1 1 302.421 4.464 20 30 DIEDMO CC(C)c1ccc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC001168969581 1051481219 /nfs/dbraw/zinc/48/12/19/1051481219.db2.gz WWRSTVKAQCMBKK-KRWDZBQOSA-N 1 1 308.425 4.339 20 30 DIEDMO Cc1ccc(-c2ccccc2)cc1[NH+]=C(NO)c1ccccc1N ZINC001215988256 1051505307 /nfs/dbraw/zinc/50/53/07/1051505307.db2.gz SHAWXABOBUAQME-UHFFFAOYSA-N 1 1 317.392 4.301 20 30 DIEDMO C=CCCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC001169077708 1051512552 /nfs/dbraw/zinc/51/25/52/1051512552.db2.gz CUOLVCKAUSYGFM-UHFFFAOYSA-N 1 1 312.226 4.303 20 30 DIEDMO C=CCCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC001169077708 1051512555 /nfs/dbraw/zinc/51/25/55/1051512555.db2.gz CUOLVCKAUSYGFM-UHFFFAOYSA-N 1 1 312.226 4.303 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCc2cc(C)ccn2)cc1 ZINC001169324614 1051578436 /nfs/dbraw/zinc/57/84/36/1051578436.db2.gz RSPHAOIGSKFKJJ-NRFANRHFSA-N 1 1 321.468 4.368 20 30 DIEDMO N#CCC[N@@H+]([C@@H]1CCc2ncsc2C1)C1CCCCCCC1 ZINC001173140182 1051623282 /nfs/dbraw/zinc/62/32/82/1051623282.db2.gz XEPWUOYGUZZMRN-MRXNPFEDSA-N 1 1 317.502 4.329 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 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CCCCCCCCC[C@@H](CCC)[N@H+]1CCn2cnnc2C1 ZINC001173285178 1051688428 /nfs/dbraw/zinc/68/84/28/1051688428.db2.gz PKKSDBSIBDOWJF-QGZVFWFLSA-N 1 1 306.498 4.403 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2ccc(C)nc2)CC1 ZINC001173322986 1051692068 /nfs/dbraw/zinc/69/20/68/1051692068.db2.gz AGOTVCXEPSMQOH-ACBHZAAOSA-N 1 1 300.446 4.041 20 30 DIEDMO C=CCOC1CCC([N@H+](C)C23CC4CC(CC(C4)C2)C3)CC1 ZINC001173321220 1051693062 /nfs/dbraw/zinc/69/30/62/1051693062.db2.gz YRJKABRXCNPNEC-UHFFFAOYSA-N 1 1 303.490 4.401 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC001173321137 1051693390 /nfs/dbraw/zinc/69/33/90/1051693390.db2.gz XNVSKAJXSTXBQH-MWXLCCTBSA-N 1 1 313.485 4.455 20 30 DIEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC(OCC=C)CC1 ZINC001173327184 1051695001 /nfs/dbraw/zinc/69/50/01/1051695001.db2.gz INMLZYALHBPEDR-GZNCHQMQSA-N 1 1 309.453 4.123 20 30 DIEDMO C=CCOC1CCC([N@H+](C)CCCc2cccc(OC)c2)CC1 ZINC001173326740 1051695220 /nfs/dbraw/zinc/69/52/20/1051695220.db2.gz 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313.282 4.291 20 30 DIEDMO N#Cc1ccc(C(F)(F)F)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001174040211 1051963148 /nfs/dbraw/zinc/96/31/48/1051963148.db2.gz YAEKOXJXUDOOPO-UHFFFAOYSA-N 1 1 313.282 4.291 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000769006789 1051993324 /nfs/dbraw/zinc/99/33/24/1051993324.db2.gz IGDXBRZEPANTFG-FQEVSTJZSA-N 1 1 311.473 4.191 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1 ZINC000769165959 1052005272 /nfs/dbraw/zinc/00/52/72/1052005272.db2.gz XIVMGFWKCHYKAH-WBVHZDCISA-N 1 1 300.446 4.378 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000193579868 1052053319 /nfs/dbraw/zinc/05/33/19/1052053319.db2.gz XZXKRWYGOVGNLG-HNNXBMFYSA-N 1 1 322.474 4.203 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000193579868 1052053327 /nfs/dbraw/zinc/05/33/27/1052053327.db2.gz XZXKRWYGOVGNLG-HNNXBMFYSA-N 1 1 322.474 4.203 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000193579880 1052053868 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C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000769507822 1052072319 /nfs/dbraw/zinc/07/23/19/1052072319.db2.gz ONGBJCZIMRQQBK-LIRRHRJNSA-N 1 1 310.372 4.064 20 30 DIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769538855 1052077687 /nfs/dbraw/zinc/07/76/87/1052077687.db2.gz YKWXIYGQNJYFKX-FCEWJHQRSA-N 1 1 300.446 4.378 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)cc1 ZINC000769537662 1052078109 /nfs/dbraw/zinc/07/81/09/1052078109.db2.gz ODAHEFPPBKNZQA-OAQYLSRUSA-N 1 1 322.452 4.154 20 30 DIEDMO CN(C)c1ccc(C[N@@H+](CCCCC(C)(C)C#N)C2CC2)cc1 ZINC000769708104 1052096001 /nfs/dbraw/zinc/09/60/01/1052096001.db2.gz JVRTWDBDGPKCHM-UHFFFAOYSA-N 1 1 313.489 4.437 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217697046 1052119916 /nfs/dbraw/zinc/11/99/16/1052119916.db2.gz VQBVANRUPBUAEP-KRWDZBQOSA-N 1 1 311.429 4.362 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)c1 ZINC000761757764 1052151708 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COCc1ccc([C@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)o1 ZINC001333357349 1054151698 /nfs/dbraw/zinc/15/16/98/1054151698.db2.gz USDFMCBGBAHVRX-QGZVFWFLSA-N 1 1 316.445 4.427 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(F)cc1O ZINC000848567148 1054153514 /nfs/dbraw/zinc/15/35/14/1054153514.db2.gz PKFHBBGZWIPEOH-CYBMUJFWSA-N 1 1 310.372 4.133 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC001232947746 1054156462 /nfs/dbraw/zinc/15/64/62/1054156462.db2.gz IQMLOIUOBZLWFB-LBPRGKRZSA-N 1 1 314.376 4.424 20 30 DIEDMO Cc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)c(C#N)c1 ZINC001232965921 1054159114 /nfs/dbraw/zinc/15/91/14/1054159114.db2.gz BLQCDYMDTCKQCT-UHFFFAOYSA-N 1 1 308.400 4.385 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C#N ZINC001232966816 1054163201 /nfs/dbraw/zinc/16/32/01/1054163201.db2.gz WQKCYXACEWHPCJ-LJQANCHMSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232966816 1054163207 /nfs/dbraw/zinc/16/32/07/1054163207.db2.gz WQKCYXACEWHPCJ-LJQANCHMSA-N 1 1 306.409 4.212 20 30 DIEDMO Cc1cccc(OC2CC[NH+](Cc3ccc(C)cc3C#N)CC2)c1 ZINC001232967445 1054163959 /nfs/dbraw/zinc/16/39/59/1054163959.db2.gz MNZPUYFMSYRKFG-UHFFFAOYSA-N 1 1 320.436 4.219 20 30 DIEDMO CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000848626909 1054171292 /nfs/dbraw/zinc/17/12/92/1054171292.db2.gz FAWZPRWEWGSKRC-OAHLLOKOSA-N 1 1 312.417 4.118 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C)cc(C)n1)c1ccc(F)c(F)c1 ZINC001334095116 1054182107 /nfs/dbraw/zinc/18/21/07/1054182107.db2.gz ZWUJWBIXTCHBGI-GOSISDBHSA-N 1 1 302.368 4.384 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)Cc1ccc(OC)cc1 ZINC001233080320 1054182922 /nfs/dbraw/zinc/18/29/22/1054182922.db2.gz IFGAKZCRWRJAIK-QGZVFWFLSA-N 1 1 322.452 4.328 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001233081110 1054183268 /nfs/dbraw/zinc/18/32/68/1054183268.db2.gz OPTFRELIRMGMBK-HXUWFJFHSA-N 1 1 304.437 4.321 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 ZINC001334814337 1054201007 /nfs/dbraw/zinc/20/10/07/1054201007.db2.gz UIAQAFPZWVDADP-MNOVXSKESA-N 1 1 303.768 4.158 20 30 DIEDMO Cc1c(C)c(C[NH+]2CCC(C)(C#N)CC2)ccc1Br ZINC001233222511 1054205684 /nfs/dbraw/zinc/20/56/84/1054205684.db2.gz RLEVDFKIDAGRSF-UHFFFAOYSA-N 1 1 321.262 4.192 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001233242869 1054213054 /nfs/dbraw/zinc/21/30/54/1054213054.db2.gz LGAGRVRGUANWAS-ZDUSSCGKSA-N 1 1 315.417 4.075 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC001233242869 1054213061 /nfs/dbraw/zinc/21/30/61/1054213061.db2.gz LGAGRVRGUANWAS-ZDUSSCGKSA-N 1 1 315.417 4.075 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2c1CCO2)C1CCCCCCC1 ZINC001233276509 1054219352 /nfs/dbraw/zinc/21/93/52/1054219352.db2.gz OLVBYJVUVRJJFJ-UHFFFAOYSA-N 1 1 312.457 4.450 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(/C=C/C(=O)OC)cc1 ZINC001233299858 1054225577 /nfs/dbraw/zinc/22/55/77/1054225577.db2.gz RDCAIUJEVNLGMF-BUHFOSPRSA-N 1 1 321.420 4.061 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cc(C(=O)OCC)ccn1 ZINC001233326042 1054231710 /nfs/dbraw/zinc/23/17/10/1054231710.db2.gz MWDLBEFBLCSZID-UHFFFAOYSA-N 1 1 306.450 4.051 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001233383781 1054256566 /nfs/dbraw/zinc/25/65/66/1054256566.db2.gz VXLJTMBAKCWAQO-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)c(O)c1 ZINC001233383781 1054256573 /nfs/dbraw/zinc/25/65/73/1054256573.db2.gz VXLJTMBAKCWAQO-UHFFFAOYSA-N 1 1 324.811 4.207 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2nc(Cl)ccc2c1 ZINC001233445591 1054275764 /nfs/dbraw/zinc/27/57/64/1054275764.db2.gz LTWUZFVYJSJBOR-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C=CCc1ccc(OC2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC001233596855 1054305452 /nfs/dbraw/zinc/30/54/52/1054305452.db2.gz FDRAONCWUVUMSS-UHFFFAOYSA-N 1 1 308.425 4.166 20 30 DIEDMO C=CCc1ccc(OC2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC001233596515 1054306207 /nfs/dbraw/zinc/30/62/07/1054306207.db2.gz AULQUGOPHIPWAW-UHFFFAOYSA-N 1 1 308.425 4.166 20 30 DIEDMO CC[N@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233861583 1054375864 /nfs/dbraw/zinc/37/58/64/1054375864.db2.gz UTMVFTKIQZXUGU-FQEVSTJZSA-N 1 1 306.409 4.088 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001442558894 1054425677 /nfs/dbraw/zinc/42/56/77/1054425677.db2.gz LXCNABLQBDXIPQ-CPPNXCSESA-N 1 1 320.521 4.380 20 30 DIEDMO CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001234299264 1054490223 /nfs/dbraw/zinc/49/02/23/1054490223.db2.gz QHRLOIGYJLOMBA-HXUWFJFHSA-N 1 1 323.415 4.329 20 30 DIEDMO CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001234299264 1054490226 /nfs/dbraw/zinc/49/02/26/1054490226.db2.gz QHRLOIGYJLOMBA-HXUWFJFHSA-N 1 1 323.415 4.329 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ccc(Br)o1)c1ccco1 ZINC001345426330 1054494903 /nfs/dbraw/zinc/49/49/03/1054494903.db2.gz HUKBDRBQGHYMGO-GFCCVEGCSA-N 1 1 310.191 4.432 20 30 DIEDMO Cc1cnc([C@@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)s1 ZINC000185312956 1054517165 /nfs/dbraw/zinc/51/71/65/1054517165.db2.gz JVZJYGMDDCQVAU-INIZCTEOSA-N 1 1 316.857 4.197 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)CC1 ZINC001234996885 1054638264 /nfs/dbraw/zinc/63/82/64/1054638264.db2.gz ORISRNQTQCUZTI-MRXNPFEDSA-N 1 1 306.409 4.185 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001450234393 1054641815 /nfs/dbraw/zinc/64/18/15/1054641815.db2.gz FNVJEAFGQYQOEJ-AZUAARDMSA-N 1 1 322.537 4.317 20 30 DIEDMO C#CC[N@H+](Cc1cc2cccc(F)c2[nH]1)[C@@H]1CCc2ccccc21 ZINC001235245534 1054689738 /nfs/dbraw/zinc/68/97/38/1054689738.db2.gz IEEZHKDTCSYPMB-HXUWFJFHSA-N 1 1 318.395 4.430 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433055 1054719946 /nfs/dbraw/zinc/71/99/46/1054719946.db2.gz QUSGVMMBJQIWCI-QZTJIDSGSA-N 1 1 321.892 4.310 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001235525201 1054735886 /nfs/dbraw/zinc/73/58/86/1054735886.db2.gz KPNYHIZXXNKLAP-IBGZPJMESA-N 1 1 312.363 4.368 20 30 DIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1CC#N ZINC001235522149 1054738823 /nfs/dbraw/zinc/73/88/23/1054738823.db2.gz AGGGGEZPQCKZAZ-UHFFFAOYSA-N 1 1 318.342 4.403 20 30 DIEDMO C#CC[N@H+](CC[C@@H](O)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001473826946 1054759101 /nfs/dbraw/zinc/75/91/01/1054759101.db2.gz XSAYFZGHAPXVCU-FCHUYYIVSA-N 1 1 319.448 4.123 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2c(c1)NCC2)C1CCCCCCC1 ZINC001235663388 1054765196 /nfs/dbraw/zinc/76/51/96/1054765196.db2.gz IIVLARKVKVEZMF-UHFFFAOYSA-N 1 1 311.473 4.483 20 30 DIEDMO CC(C)(C)c1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001235676861 1054772105 /nfs/dbraw/zinc/77/21/05/1054772105.db2.gz WUTBIUUDVRWNIQ-UHFFFAOYSA-N 1 1 320.436 4.120 20 30 DIEDMO CCCCCCCCOc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1 ZINC001235751018 1054797206 /nfs/dbraw/zinc/79/72/06/1054797206.db2.gz URJKQZZAOFISMA-IBGZPJMESA-N 1 1 318.505 4.207 20 30 DIEDMO Cc1cc(Br)cc(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001235790782 1054807800 /nfs/dbraw/zinc/80/78/00/1054807800.db2.gz SCSFHEYTOLXUAW-UHFFFAOYSA-N 1 1 321.262 4.192 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC001235847282 1054823107 /nfs/dbraw/zinc/82/31/07/1054823107.db2.gz OHLQQLOQRADZRP-UHFFFAOYSA-N 1 1 318.461 4.109 20 30 DIEDMO C=CCNCC[N@H+]1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001235866250 1054826227 /nfs/dbraw/zinc/82/62/27/1054826227.db2.gz IJWCOATYUYMRQP-OAQYLSRUSA-N 1 1 320.480 4.059 20 30 DIEDMO C=CC[NH2+]CCN1CCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001235866250 1054826235 /nfs/dbraw/zinc/82/62/35/1054826235.db2.gz IJWCOATYUYMRQP-OAQYLSRUSA-N 1 1 320.480 4.059 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000184094838 1055069170 /nfs/dbraw/zinc/06/91/70/1055069170.db2.gz QOYVYDYNWCDJJP-QGZVFWFLSA-N 1 1 312.388 4.187 20 30 DIEDMO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C#N)n1 ZINC001236474946 1055133536 /nfs/dbraw/zinc/13/35/36/1055133536.db2.gz NNUPEPGISJWKEK-MOPGFXCFSA-N 1 1 315.420 4.082 20 30 DIEDMO C=CCCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001536600539 1055138461 /nfs/dbraw/zinc/13/84/61/1055138461.db2.gz ZYOAEHYRQOVDRV-RBUKOAKNSA-N 1 1 314.473 4.073 20 30 DIEDMO C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001536600538 1055138820 /nfs/dbraw/zinc/13/88/20/1055138820.db2.gz ZYOAEHYRQOVDRV-OALUTQOASA-N 1 1 314.473 4.073 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)c(O)c1)C1CCCCC1 ZINC001236695665 1055234606 /nfs/dbraw/zinc/23/46/06/1055234606.db2.gz NGPGNZYSSHDGLZ-UHFFFAOYSA-N 1 1 324.262 4.475 20 30 DIEDMO C=CCCCC[N@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798413 1055266752 /nfs/dbraw/zinc/26/67/52/1055266752.db2.gz LIGDAGUPLGSGIG-MRXNPFEDSA-N 1 1 312.379 4.008 20 30 DIEDMO C=CCCCC[N@@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236798413 1055266761 /nfs/dbraw/zinc/26/67/61/1055266761.db2.gz LIGDAGUPLGSGIG-MRXNPFEDSA-N 1 1 312.379 4.008 20 30 DIEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236863996 1055295572 /nfs/dbraw/zinc/29/55/72/1055295572.db2.gz QAWJQWSUYQVXOD-LBPRGKRZSA-N 1 1 307.235 4.085 20 30 DIEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1Br ZINC001236862207 1055295719 /nfs/dbraw/zinc/29/57/19/1055295719.db2.gz PYAVVFJTVKVPFD-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236862799 1055296756 /nfs/dbraw/zinc/29/67/56/1055296756.db2.gz YUMOFVVGKFREML-AWEZNQCLSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)c(Cl)c1)C(C)(C)C ZINC001236906090 1055311699 /nfs/dbraw/zinc/31/16/99/1055311699.db2.gz YQVUGLKQNBMGCP-UHFFFAOYSA-N 1 1 303.837 4.312 20 30 DIEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1C(F)F ZINC001237275175 1055413323 /nfs/dbraw/zinc/41/33/23/1055413323.db2.gz WVSAHHMQVGZGIQ-UHFFFAOYSA-N 1 1 316.351 4.136 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2-c2ccccc2)C1 ZINC001237311721 1055423375 /nfs/dbraw/zinc/42/33/75/1055423375.db2.gz RUOSEKAUDRKADP-QGZVFWFLSA-N 1 1 305.421 4.207 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001237310546 1055424970 /nfs/dbraw/zinc/42/49/70/1055424970.db2.gz MHWKCSCDLUVEGE-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(-c2ccccc2)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001237310546 1055424975 /nfs/dbraw/zinc/42/49/75/1055424975.db2.gz MHWKCSCDLUVEGE-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1NC(=O)OC(C)(C)C ZINC001237371349 1055441418 /nfs/dbraw/zinc/44/14/18/1055441418.db2.gz VPPABIGHSLIBME-UHFFFAOYSA-N 1 1 310.825 4.305 20 30 DIEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@H](c4ccccc4)C3)c[nH]c2c1 ZINC001142911966 1055445602 /nfs/dbraw/zinc/44/56/02/1055445602.db2.gz PXRXTMYYVAUXTE-QGZVFWFLSA-N 1 1 301.393 4.029 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2ncnc(Cl)c2c1 ZINC001237580920 1055477656 /nfs/dbraw/zinc/47/76/56/1055477656.db2.gz ZLXRNNHAFABTJU-UHFFFAOYSA-N 1 1 323.827 4.471 20 30 DIEDMO CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC001620859682 1055486708 /nfs/dbraw/zinc/48/67/08/1055486708.db2.gz WIHDRNWHQMAWKS-AWEZNQCLSA-N 1 1 314.454 4.395 20 30 DIEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001237666549 1055499599 /nfs/dbraw/zinc/49/95/99/1055499599.db2.gz LPUGXQLXZDATSI-OAHLLOKOSA-N 1 1 312.363 4.367 20 30 DIEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(F)cc3F)cc2)C1 ZINC001237666549 1055499606 /nfs/dbraw/zinc/49/96/06/1055499606.db2.gz LPUGXQLXZDATSI-OAHLLOKOSA-N 1 1 312.363 4.367 20 30 DIEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669499 1055499928 /nfs/dbraw/zinc/49/99/28/1055499928.db2.gz BFNMELAUBULUBD-LJQANCHMSA-N 1 1 312.363 4.367 20 30 DIEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237669499 1055499930 /nfs/dbraw/zinc/49/99/30/1055499930.db2.gz BFNMELAUBULUBD-LJQANCHMSA-N 1 1 312.363 4.367 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237666360 1055500738 /nfs/dbraw/zinc/50/07/38/1055500738.db2.gz BQYYQMQUINIMHS-HNNXBMFYSA-N 1 1 312.363 4.367 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(F)cc3F)c2)C1 ZINC001237666360 1055500750 /nfs/dbraw/zinc/50/07/50/1055500750.db2.gz BQYYQMQUINIMHS-HNNXBMFYSA-N 1 1 312.363 4.367 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000186158926 1055555571 /nfs/dbraw/zinc/55/55/71/1055555571.db2.gz LFVCOVVPHIHVJC-UHFFFAOYSA-N 1 1 319.452 4.099 20 30 DIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237920869 1055556834 /nfs/dbraw/zinc/55/68/34/1055556834.db2.gz NVQYHZCNAONAFP-FQEVSTJZSA-N 1 1 306.409 4.001 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(COc3ccccc3)cc2)C1 ZINC001237920869 1055556840 /nfs/dbraw/zinc/55/68/40/1055556840.db2.gz NVQYHZCNAONAFP-FQEVSTJZSA-N 1 1 306.409 4.001 20 30 DIEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1Cl ZINC001238086898 1055603679 /nfs/dbraw/zinc/60/36/79/1055603679.db2.gz QIJIRCJTLYOGEP-UHFFFAOYSA-N 1 1 313.832 4.061 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccc1F ZINC001238192348 1055617510 /nfs/dbraw/zinc/61/75/10/1055617510.db2.gz RQUCKHAFKWXYNO-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccc1F ZINC001238192348 1055617516 /nfs/dbraw/zinc/61/75/16/1055617516.db2.gz RQUCKHAFKWXYNO-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194464 1055618023 /nfs/dbraw/zinc/61/80/23/1055618023.db2.gz OEWJFLPXAPQDFV-UHFFFAOYSA-N 1 1 305.208 4.497 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2cccs2)n1 ZINC001238219068 1055623305 /nfs/dbraw/zinc/62/33/05/1055623305.db2.gz KXRCEPCTCUIOOZ-UHFFFAOYSA-N 1 1 319.433 4.314 20 30 DIEDMO N#CCC[N@H+](Cc1cccc(-c2cccs2)n1)C1CCCC1 ZINC001238221758 1055625139 /nfs/dbraw/zinc/62/51/39/1055625139.db2.gz XECRZJPDWFKPKZ-UHFFFAOYSA-N 1 1 311.454 4.468 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(-c2cccs2)n1)C1CCCC1 ZINC001238221758 1055625143 /nfs/dbraw/zinc/62/51/43/1055625143.db2.gz XECRZJPDWFKPKZ-UHFFFAOYSA-N 1 1 311.454 4.468 20 30 DIEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(F)cc1Cl ZINC001238303876 1055636495 /nfs/dbraw/zinc/63/64/95/1055636495.db2.gz BIEGHRCSCDUGGB-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(F)cc1Cl ZINC001238303876 1055636502 /nfs/dbraw/zinc/63/65/02/1055636502.db2.gz BIEGHRCSCDUGGB-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC001238372447 1055649574 /nfs/dbraw/zinc/64/95/74/1055649574.db2.gz TUQUUBGZLCLQMJ-UHFFFAOYSA-N 1 1 310.441 4.449 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)ccc1C#N ZINC001238413339 1055653593 /nfs/dbraw/zinc/65/35/93/1055653593.db2.gz NJCZOTFZVXXEPI-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)ccc1C#N ZINC001238407512 1055653623 /nfs/dbraw/zinc/65/36/23/1055653623.db2.gz OYLMNQPGCCEVJT-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO Cc1ccc(OC(C)C)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001238478709 1055668155 /nfs/dbraw/zinc/66/81/55/1055668155.db2.gz YWWNWHMIYZQPPV-UHFFFAOYSA-N 1 1 320.436 4.212 20 30 DIEDMO CCCCCCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC001596337825 1055697579 /nfs/dbraw/zinc/69/75/79/1055697579.db2.gz CDYGKJWDPMITAG-LJQANCHMSA-N 1 1 316.489 4.128 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(Cl)cn3)c2)C1 ZINC001238640287 1055707554 /nfs/dbraw/zinc/70/75/54/1055707554.db2.gz KKWCYOSMIKNBPZ-OAHLLOKOSA-N 1 1 310.828 4.247 20 30 DIEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238664499 1055712324 /nfs/dbraw/zinc/71/23/24/1055712324.db2.gz LYVPWKFBQPOKPH-KRWDZBQOSA-N 1 1 300.446 4.216 20 30 DIEDMO CSc1cc(C)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001238674527 1055717750 /nfs/dbraw/zinc/71/77/50/1055717750.db2.gz HGFBHHDGMIUROI-UHFFFAOYSA-N 1 1 308.450 4.147 20 30 DIEDMO CSc1cc(C)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001238674527 1055717760 /nfs/dbraw/zinc/71/77/60/1055717760.db2.gz HGFBHHDGMIUROI-UHFFFAOYSA-N 1 1 308.450 4.147 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238683332 1055719383 /nfs/dbraw/zinc/71/93/83/1055719383.db2.gz BHVBHHPFHRPCFB-HNNXBMFYSA-N 1 1 311.816 4.138 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cn3)cc2)C1 ZINC001238683332 1055719393 /nfs/dbraw/zinc/71/93/93/1055719393.db2.gz 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C=C(CNCc1[nH+]c(C(C)C)n2ccccc12)c1ccccc1 ZINC001620773087 1055940017 /nfs/dbraw/zinc/94/00/17/1055940017.db2.gz LOUQWOQXVRZIQN-UHFFFAOYSA-N 1 1 305.425 4.261 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1(C)C ZINC001621121336 1055948567 /nfs/dbraw/zinc/94/85/67/1055948567.db2.gz CWTPJNBFVISVTC-ZWKOTPCHSA-N 1 1 314.473 4.123 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC001620545814 1055964822 /nfs/dbraw/zinc/96/48/22/1055964822.db2.gz LPFOFSNOHXSDPY-HKUYNNGSSA-N 1 1 309.494 4.402 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]1(C)c1ccccc1 ZINC001620539627 1055965324 /nfs/dbraw/zinc/96/53/24/1055965324.db2.gz PDBURHQANARUEB-HXUWFJFHSA-N 1 1 306.409 4.078 20 30 DIEDMO C=CCC1([NH2+]Cc2cc(C)cc(Br)c2O)CCCC1 ZINC001621006229 1055973317 /nfs/dbraw/zinc/97/33/17/1055973317.db2.gz CCJJAWADDYDPQQ-UHFFFAOYSA-N 1 1 324.262 4.442 20 30 DIEDMO C#CC[N@H+](Cc1coc(-c2cc(Cl)cc(Cl)c2)n1)C(C)C ZINC001620603367 1055975644 /nfs/dbraw/zinc/97/56/44/1055975644.db2.gz 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N#CCc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001240387253 1056469012 /nfs/dbraw/zinc/46/90/12/1056469012.db2.gz LCXOJHHEMIEWER-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO N#Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c2cc[nH]c21 ZINC001240386715 1056469313 /nfs/dbraw/zinc/46/93/13/1056469313.db2.gz IBGCPFNXHOKXGX-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CCc2ccccc21 ZINC001615264634 1056483894 /nfs/dbraw/zinc/48/38/94/1056483894.db2.gz CYNXRWHPSLBWNK-JOCHJYFZSA-N 1 1 301.433 4.298 20 30 DIEDMO CCC(CC)c1cc(C[NH2+]Cc2c(C)cc(C#N)cc2C)on1 ZINC000921785187 1056491090 /nfs/dbraw/zinc/49/10/90/1056491090.db2.gz KAUGITIIZBIQMY-UHFFFAOYSA-N 1 1 311.429 4.357 20 30 DIEDMO C=CC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC001615332080 1056494572 /nfs/dbraw/zinc/49/45/72/1056494572.db2.gz HXIALZBKXCWXKE-UHFFFAOYSA-N 1 1 320.823 4.251 20 30 DIEDMO C=CC[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccc(C#N)c1 ZINC001615332080 1056494573 /nfs/dbraw/zinc/49/45/73/1056494573.db2.gz HXIALZBKXCWXKE-UHFFFAOYSA-N 1 1 320.823 4.251 20 30 DIEDMO CCCCCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001615331761 1056494657 /nfs/dbraw/zinc/49/46/57/1056494657.db2.gz BRUABFSCJARFQH-IBGZPJMESA-N 1 1 302.462 4.100 20 30 DIEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC001615558632 1056533828 /nfs/dbraw/zinc/53/38/28/1056533828.db2.gz HEADNLVQFCBZEF-HNAYVOBHSA-N 1 1 308.400 4.118 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001615578455 1056540130 /nfs/dbraw/zinc/54/01/30/1056540130.db2.gz SXPTZUSNWOFGHI-JKSUJKDBSA-N 1 1 306.475 4.035 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC[C@H]1CC(C)C ZINC001615584483 1056542422 /nfs/dbraw/zinc/54/24/22/1056542422.db2.gz SUYGSWZPHHGFAY-SFHVURJKSA-N 1 1 300.446 4.358 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCCOC(C)C)cc1 ZINC001168681559 1056545928 /nfs/dbraw/zinc/54/59/28/1056545928.db2.gz JVOAHTQBZHWHQV-LJQANCHMSA-N 1 1 302.462 4.237 20 30 DIEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001615989132 1056604199 /nfs/dbraw/zinc/60/41/99/1056604199.db2.gz XBCBYRWZWYOGTA-QFBILLFUSA-N 1 1 300.446 4.228 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998549 1056604852 /nfs/dbraw/zinc/60/48/52/1056604852.db2.gz FZPCEBNTHWDPBE-SJORKVTESA-N 1 1 318.436 4.113 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998029 1056605784 /nfs/dbraw/zinc/60/57/84/1056605784.db2.gz AIEYJBSTAURWKD-RBUKOAKNSA-N 1 1 314.473 4.168 20 30 DIEDMO CC(C)C[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001616066689 1056610946 /nfs/dbraw/zinc/61/09/46/1056610946.db2.gz IILUDDFGWAEYKE-SFHVURJKSA-N 1 1 300.446 4.228 20 30 DIEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC001616160449 1056615883 /nfs/dbraw/zinc/61/58/83/1056615883.db2.gz YWXQUYQFAHSGRG-ZDUSSCGKSA-N 1 1 321.262 4.333 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167709 1056616347 /nfs/dbraw/zinc/61/63/47/1056616347.db2.gz UXEQGSBVLHELQO-RBUKOAKNSA-N 1 1 314.473 4.016 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)c(OC)c2)cc1 ZINC001240619629 1056617003 /nfs/dbraw/zinc/61/70/03/1056617003.db2.gz RBAFLIBRGGNSGD-GOSISDBHSA-N 1 1 309.409 4.391 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000921920921 1056625596 /nfs/dbraw/zinc/62/55/96/1056625596.db2.gz CVYRZHIZRJPYLR-IBGZPJMESA-N 1 1 305.425 4.095 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC001616323196 1056635102 /nfs/dbraw/zinc/63/51/02/1056635102.db2.gz SQECUVTWUJPKIR-ZJVMWOEPSA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1ccnc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC001616621834 1056688449 /nfs/dbraw/zinc/68/84/49/1056688449.db2.gz BVZUZWBPXQUKQT-IBGZPJMESA-N 1 1 309.388 4.113 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(F)c(F)c1 ZINC000922013228 1056733870 /nfs/dbraw/zinc/73/38/70/1056733870.db2.gz ZWOXZIYSQJCFDB-SFHVURJKSA-N 1 1 317.383 4.293 20 30 DIEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCCCC1 ZINC001586457486 1056739591 /nfs/dbraw/zinc/73/95/91/1056739591.db2.gz MUKOAGJLYNFATA-SFHVURJKSA-N 1 1 318.505 4.036 20 30 DIEDMO C[C@H](C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920347 1056740872 /nfs/dbraw/zinc/74/08/72/1056740872.db2.gz AHSVCKLNSDYCCG-MAUKXSAKSA-N 1 1 300.446 4.004 20 30 DIEDMO C[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)CC(C)(C)C ZINC001616920348 1056740912 /nfs/dbraw/zinc/74/09/12/1056740912.db2.gz AHSVCKLNSDYCCG-QAPCUYQASA-N 1 1 300.446 4.004 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000091731408 1056779541 /nfs/dbraw/zinc/77/95/41/1056779541.db2.gz SHKUYKBSWMEXIY-OLZOCXBDSA-N 1 1 311.454 4.305 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)cc1 ZINC001617147704 1056783561 /nfs/dbraw/zinc/78/35/61/1056783561.db2.gz UDGBHBBGMIMTLS-LJQANCHMSA-N 1 1 309.840 4.489 20 30 DIEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001617244695 1056800233 /nfs/dbraw/zinc/80/02/33/1056800233.db2.gz IUWCEZBOPLGGEH-QGZVFWFLSA-N 1 1 324.509 4.310 20 30 DIEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC001617743462 1056873348 /nfs/dbraw/zinc/87/33/48/1056873348.db2.gz VBKUJLVGOHIOFM-NSHDSACASA-N 1 1 314.654 4.336 20 30 DIEDMO C=CC[N@H+](CCOC)[C@H](CC)c1ccc(Br)cc1 ZINC001617655067 1056864978 /nfs/dbraw/zinc/86/49/78/1056864978.db2.gz YOWMFQJWPLDRQW-OAHLLOKOSA-N 1 1 312.251 4.035 20 30 DIEDMO Cc1ccc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c(C)c1 ZINC001617712356 1056871991 /nfs/dbraw/zinc/87/19/91/1056871991.db2.gz BNRHNFSFHDMNMB-IBGZPJMESA-N 1 1 307.412 4.284 20 30 DIEDMO CCC#C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC001617743462 1056873344 /nfs/dbraw/zinc/87/33/44/1056873344.db2.gz VBKUJLVGOHIOFM-NSHDSACASA-N 1 1 314.654 4.336 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC001617874838 1056894859 /nfs/dbraw/zinc/89/48/59/1056894859.db2.gz IIDKXWMOTGHLPB-HXUWFJFHSA-N 1 1 324.553 4.314 20 30 DIEDMO N#Cc1cccc(C[NH2+]Cc2csc(-c3ccsc3)n2)c1 ZINC000066971880 1056908280 /nfs/dbraw/zinc/90/82/80/1056908280.db2.gz NMDHCXJFWSKYHR-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC001618092468 1056923707 /nfs/dbraw/zinc/92/37/07/1056923707.db2.gz UFHHXKMVIGJAFF-UHFFFAOYSA-N 1 1 307.412 4.323 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001618235912 1056939367 /nfs/dbraw/zinc/93/93/67/1056939367.db2.gz ZDMXYWXJAMSRJI-NRFANRHFSA-N 1 1 307.437 4.039 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(-c2ccc(C#N)o2)cc1 ZINC001241242459 1056976124 /nfs/dbraw/zinc/97/61/24/1056976124.db2.gz CJHGGYGNFKKRJK-UHFFFAOYSA-N 1 1 303.365 4.255 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(Br)o1 ZINC000118393074 1057018012 /nfs/dbraw/zinc/01/80/12/1057018012.db2.gz FGHQUQGFWKQNLW-NSHDSACASA-N 1 1 319.202 4.107 20 30 DIEDMO CC[C@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000555095415 1057025929 /nfs/dbraw/zinc/02/59/29/1057025929.db2.gz YBEMTLDBWIKVBB-WMLDXEAASA-N 1 1 311.454 4.030 20 30 DIEDMO CC[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000555095415 1057025933 /nfs/dbraw/zinc/02/59/33/1057025933.db2.gz YBEMTLDBWIKVBB-WMLDXEAASA-N 1 1 311.454 4.030 20 30 DIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093361634 1057037094 /nfs/dbraw/zinc/03/70/94/1057037094.db2.gz JVKZZCNAGNJAFD-FQEVSTJZSA-N 1 1 318.424 4.035 20 30 DIEDMO COc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)c(CC#N)c1 ZINC001241505021 1057074885 /nfs/dbraw/zinc/07/48/85/1057074885.db2.gz LEEMYOLTOHWFNL-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccc1CC#N ZINC001241505017 1057076053 /nfs/dbraw/zinc/07/60/53/1057076053.db2.gz KYZLGAIZZGFJHT-UHFFFAOYSA-N 1 1 302.421 4.350 20 30 DIEDMO COc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ccccc1C#N ZINC000163038029 1057156394 /nfs/dbraw/zinc/15/63/94/1057156394.db2.gz FHPKEKYVQVSQNC-LJQANCHMSA-N 1 1 308.425 4.444 20 30 DIEDMO C=C(C)CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC ZINC001128771625 1057265298 /nfs/dbraw/zinc/26/52/98/1057265298.db2.gz MQBVLCAHLYDKPX-QGZVFWFLSA-N 1 1 322.880 4.195 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)c(O)c2)cc1 ZINC001242176991 1057287844 /nfs/dbraw/zinc/28/78/44/1057287844.db2.gz RLBZIUSJLRDQAW-SFHVURJKSA-N 1 1 309.409 4.391 20 30 DIEDMO N#Cc1cncc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)c1 ZINC001242272508 1057315878 /nfs/dbraw/zinc/31/58/78/1057315878.db2.gz FVHMNZLNTPFQEH-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO C#Cc1ccc(-c2nc(C[NH+](C)C)nc3sc(C)c(C)c32)cc1 ZINC001242293665 1057324369 /nfs/dbraw/zinc/32/43/69/1057324369.db2.gz LWLVNWJSMKUXIS-UHFFFAOYSA-N 1 1 321.449 4.018 20 30 DIEDMO CC[NH+](CC)Cc1cc(C2=CC(=O)CC(C)(C)C2)ccc1F ZINC001242317900 1057333093 /nfs/dbraw/zinc/33/30/93/1057333093.db2.gz GOIFSLAHAGNGKW-UHFFFAOYSA-N 1 1 303.421 4.440 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(C#N)c(C)c2)cc1 ZINC001242357211 1057343551 /nfs/dbraw/zinc/34/35/51/1057343551.db2.gz LACVNDPPQRWOBE-FQEVSTJZSA-N 1 1 303.409 4.252 20 30 DIEDMO CC1(C)CCC[N@@H+](Cn2ccc(=S)c3ccccc32)[C@H]1C#N ZINC000766112427 1057347391 /nfs/dbraw/zinc/34/73/91/1057347391.db2.gz POWMEYRJBQDIGC-KRWDZBQOSA-N 1 1 311.454 4.342 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc(C#N)cc1 ZINC000174178623 1057352278 /nfs/dbraw/zinc/35/22/78/1057352278.db2.gz MZVCJIKFFLASBR-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(OC)ncc2OC)cc1 ZINC001242429914 1057365435 /nfs/dbraw/zinc/36/54/35/1057365435.db2.gz XXXBQSAZTZUTOQ-SFHVURJKSA-N 1 1 324.424 4.089 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338366 1057366206 /nfs/dbraw/zinc/36/62/06/1057366206.db2.gz FAAJPJOLYVOKGC-GLJUWKHASA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246338366 1057366209 /nfs/dbraw/zinc/36/62/09/1057366209.db2.gz FAAJPJOLYVOKGC-GLJUWKHASA-N 1 1 312.438 4.143 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)c(C#N)c2)cc1 ZINC001242565724 1057406534 /nfs/dbraw/zinc/40/65/34/1057406534.db2.gz AXSKZDQBBLDFAO-LJQANCHMSA-N 1 1 304.393 4.254 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cc(Cl)cc(C#N)c2)nc1 ZINC001242569040 1057408620 /nfs/dbraw/zinc/40/86/20/1057408620.db2.gz IDLYGDALIVOWRB-SFHVURJKSA-N 1 1 311.816 4.430 20 30 DIEDMO C=C(CNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000675782639 1057413147 /nfs/dbraw/zinc/41/31/47/1057413147.db2.gz WHDNJTCTXWZBAP-UWJYYQICSA-N 1 1 312.501 4.333 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncc(OCC)c2)cc1 ZINC001242660096 1057438173 /nfs/dbraw/zinc/43/81/73/1057438173.db2.gz GQJVVEDSVHPCAX-FQEVSTJZSA-N 1 1 308.425 4.470 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001129184362 1057451792 /nfs/dbraw/zinc/45/17/92/1057451792.db2.gz AJKZAOHMDBMTFT-OTWHNJEPSA-N 1 1 322.537 4.316 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(C2=CC(=O)C[C@H](C)C2)nc1 ZINC001242739500 1057464487 /nfs/dbraw/zinc/46/44/87/1057464487.db2.gz DNRDGLNGEFWWOX-QRWLVFNGSA-N 1 1 312.457 4.401 20 30 DIEDMO C[C@@H]1CC(=O)C=C(c2ccc3[nH]cc(C[C@H]4CCC[N@H+]4C)c3c2)C1 ZINC001242744911 1057465254 /nfs/dbraw/zinc/46/52/54/1057465254.db2.gz IRNBVKJZCZELPW-KBXCAEBGSA-N 1 1 322.452 4.187 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)c(C)c2)nc1 ZINC001242767433 1057468736 /nfs/dbraw/zinc/46/87/36/1057468736.db2.gz VWHUWUGSLYBEBQ-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1nc(C)sc1C)C(C)C ZINC000676488112 1057478193 /nfs/dbraw/zinc/47/81/93/1057478193.db2.gz BXOKTVFBZVDEQS-WMLDXEAASA-N 1 1 321.534 4.109 20 30 DIEDMO Oc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2Cl)cc1 ZINC000676715560 1057498170 /nfs/dbraw/zinc/49/81/70/1057498170.db2.gz BDZJZDBPJQYZLC-IBGZPJMESA-N 1 1 311.812 4.234 20 30 DIEDMO Oc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2Cl)cc1 ZINC000676715560 1057498172 /nfs/dbraw/zinc/49/81/72/1057498172.db2.gz BDZJZDBPJQYZLC-IBGZPJMESA-N 1 1 311.812 4.234 20 30 DIEDMO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cc(Cl)cc2c1OCC2 ZINC000922986438 1057519925 /nfs/dbraw/zinc/51/99/25/1057519925.db2.gz AFVUSDODZYELKP-SNVBAGLBSA-N 1 1 318.829 4.059 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)nc2C)cc1 ZINC001242929775 1057520964 /nfs/dbraw/zinc/52/09/64/1057520964.db2.gz NGNXSGNWQGHVDY-IBGZPJMESA-N 1 1 308.425 4.389 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(CO)c2F)cc1 ZINC001243145562 1057585747 /nfs/dbraw/zinc/58/57/47/1057585747.db2.gz ZEQPDRSVTNSWFT-LJQANCHMSA-N 1 1 311.400 4.308 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000611259289 1057587217 /nfs/dbraw/zinc/58/72/17/1057587217.db2.gz XFUUVKHHYHOWGS-HNNXBMFYSA-N 1 1 321.449 4.481 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCOc2ccccc21 ZINC000611268801 1057587364 /nfs/dbraw/zinc/58/73/64/1057587364.db2.gz DKRITHVZIXCTKB-QGZVFWFLSA-N 1 1 300.446 4.205 20 30 DIEDMO CC[N@@H+](Cc1[nH]nc2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587433 /nfs/dbraw/zinc/58/74/33/1057587433.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@H+](Cc1n[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587437 /nfs/dbraw/zinc/58/74/37/1057587437.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@@H+](Cc1n[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000611256402 1057587441 /nfs/dbraw/zinc/58/74/41/1057587441.db2.gz HCFQWVCEDUDHQO-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@@H+](Cc1[nH]nc2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587857 /nfs/dbraw/zinc/58/78/57/1057587857.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@H+](Cc1n[nH]c2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587864 /nfs/dbraw/zinc/58/78/64/1057587864.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@@H+](Cc1n[nH]c2ccccc21)[C@H](C)c1ccc(C#N)cc1 ZINC000611256403 1057587869 /nfs/dbraw/zinc/58/78/69/1057587869.db2.gz HCFQWVCEDUDHQO-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000611274539 1057588497 /nfs/dbraw/zinc/58/84/97/1057588497.db2.gz PMTKJFRKPZLDKU-HXUWFJFHSA-N 1 1 324.399 4.455 20 30 DIEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC000611274539 1057588502 /nfs/dbraw/zinc/58/85/02/1057588502.db2.gz PMTKJFRKPZLDKU-HXUWFJFHSA-N 1 1 324.399 4.455 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611371685 1057593538 /nfs/dbraw/zinc/59/35/38/1057593538.db2.gz UVEZYYCUNNRVJL-GOSISDBHSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611371685 1057593545 /nfs/dbraw/zinc/59/35/45/1057593545.db2.gz UVEZYYCUNNRVJL-GOSISDBHSA-N 1 1 324.399 4.433 20 30 DIEDMO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611387535 1057594783 /nfs/dbraw/zinc/59/47/83/1057594783.db2.gz BYCMZTFVBVNLKL-LBPRGKRZSA-N 1 1 323.421 4.434 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000611376651 1057595077 /nfs/dbraw/zinc/59/50/77/1057595077.db2.gz OWTDLVWNHNKWJJ-SECBINFHSA-N 1 1 324.186 4.250 20 30 DIEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000611462488 1057600304 /nfs/dbraw/zinc/60/03/04/1057600304.db2.gz HSAZLPYAHJXJJI-QZTJIDSGSA-N 1 1 300.446 4.026 20 30 DIEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000611462490 1057600538 /nfs/dbraw/zinc/60/05/38/1057600538.db2.gz HSAZLPYAHJXJJI-ZWKOTPCHSA-N 1 1 300.446 4.026 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccccc1 ZINC000611442761 1057600585 /nfs/dbraw/zinc/60/05/85/1057600585.db2.gz RHQNFPDVLSUBGO-OAHLLOKOSA-N 1 1 319.330 4.235 20 30 DIEDMO CC(=[NH+]Nc1ccc(OCC(F)(F)F)cc1)c1ccc(N)cc1 ZINC000727262447 1057644471 /nfs/dbraw/zinc/64/44/71/1057644471.db2.gz QQWLLOWTSJOYSH-UHFFFAOYSA-N 1 1 323.318 4.046 20 30 DIEDMO CCCC[N@H+]1Cc2cccc(N=Cc3c(O)cccc3OC)c2C1 ZINC000727265604 1057645410 /nfs/dbraw/zinc/64/54/10/1057645410.db2.gz VKRYJLYUDJEZLG-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO C[C@@H](C[N@@H+](C)CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000727437200 1057652810 /nfs/dbraw/zinc/65/28/10/1057652810.db2.gz GRIGXGNZFSJBSU-KRWDZBQOSA-N 1 1 308.425 4.063 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C3(C#N)CC3)cc2)nc1 ZINC001243420483 1057678387 /nfs/dbraw/zinc/67/83/87/1057678387.db2.gz LNARPLKDZUYPPQ-HXUWFJFHSA-N 1 1 317.436 4.461 20 30 DIEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccc(C4(C#N)CC4)cc3)cc2)C1 ZINC001243424991 1057680234 /nfs/dbraw/zinc/68/02/34/1057680234.db2.gz ZNQKADCGGAMLIE-IBGZPJMESA-N 1 1 302.421 4.328 20 30 DIEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(C4(C#N)CC4)cc3)cc2C1 ZINC001243424786 1057680321 /nfs/dbraw/zinc/68/03/21/1057680321.db2.gz WSMKHIOBQBDMDX-UHFFFAOYSA-N 1 1 306.384 4.036 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001273232663 1057720428 /nfs/dbraw/zinc/72/04/28/1057720428.db2.gz CCOPVDOJKDOKNL-UHFFFAOYSA-N 1 1 308.510 4.071 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccccc2OCC#N)nc1 ZINC001243585959 1057724815 /nfs/dbraw/zinc/72/48/15/1057724815.db2.gz QTJOLNIQXVSHTN-IBGZPJMESA-N 1 1 321.424 4.198 20 30 DIEDMO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(F)cc1Cl ZINC000731212530 1057738264 /nfs/dbraw/zinc/73/82/64/1057738264.db2.gz CZCBAAYHTPTIBE-UHFFFAOYSA-N 1 1 318.779 4.013 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccc(F)cc1Cl ZINC000731212530 1057738268 /nfs/dbraw/zinc/73/82/68/1057738268.db2.gz CZCBAAYHTPTIBE-UHFFFAOYSA-N 1 1 318.779 4.013 20 30 DIEDMO N#C[C@@H]1CC=C(c2ccc3nc([C@H]4[NH2+][C@@H]5CC[C@H]4C5)[nH]c3c2)CC1 ZINC001243795363 1057781586 /nfs/dbraw/zinc/78/15/86/1057781586.db2.gz SQSBFFNRLSZSNK-XIEZEKGWSA-N 1 1 318.424 4.083 20 30 DIEDMO C=CC[N@H+](C[C@H](O)c1cc(F)ccc1F)CC1CCCCC1 ZINC000732667270 1057782651 /nfs/dbraw/zinc/78/26/51/1057782651.db2.gz NASBPZMXIGDGJA-SFHVURJKSA-N 1 1 309.400 4.067 20 30 DIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732983985 1057795706 /nfs/dbraw/zinc/79/57/06/1057795706.db2.gz OASLQIMHRKWWRQ-FQEVSTJZSA-N 1 1 308.425 4.418 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C#N)cc3)cs2)cc1 ZINC000733324532 1057812651 /nfs/dbraw/zinc/81/26/51/1057812651.db2.gz INLWHKLIDUQZOW-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2Cl)nc1 ZINC001244327791 1057934177 /nfs/dbraw/zinc/93/41/77/1057934177.db2.gz OEOILCHJPHTSSK-GOSISDBHSA-N 1 1 311.816 4.430 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C)c(C#N)c2)nc1 ZINC001244482432 1057972161 /nfs/dbraw/zinc/97/21/61/1057972161.db2.gz MIPDDZZAKWKTDW-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244558309 1057995619 /nfs/dbraw/zinc/99/56/19/1057995619.db2.gz NXZRZGQXKJZNNT-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(F)c2CO)cc1 ZINC001244563735 1057996204 /nfs/dbraw/zinc/99/62/04/1057996204.db2.gz UYMQFPFXHNSHOX-HXUWFJFHSA-N 1 1 311.400 4.308 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(C#N)c2C)nc1 ZINC001244815025 1058051748 /nfs/dbraw/zinc/05/17/48/1058051748.db2.gz FGRQZDMNBNVWRQ-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069443 1058106439 /nfs/dbraw/zinc/10/64/39/1058106439.db2.gz RABIWFNCNYZKFM-SFHVURJKSA-N 1 1 309.388 4.306 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC(C)C)nc2)cc1 ZINC001245264943 1058136676 /nfs/dbraw/zinc/13/66/76/1058136676.db2.gz RZVPZEZAAWPABX-LJQANCHMSA-N 1 1 323.440 4.254 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001545434673 1058200382 /nfs/dbraw/zinc/20/03/82/1058200382.db2.gz JRTMBFRMHNREOY-GBESFXJTSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC001545434674 1058201874 /nfs/dbraw/zinc/20/18/74/1058201874.db2.gz JRTMBFRMHNREOY-IPMKNSEASA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001545471533 1058203232 /nfs/dbraw/zinc/20/32/32/1058203232.db2.gz HCVCAUPSXQRBEU-QRVBRYPASA-N 1 1 322.537 4.364 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001520579720 1058642893 /nfs/dbraw/zinc/64/28/93/1058642893.db2.gz IEWXJADFLRNLOY-OKZBNKHCSA-N 1 1 310.526 4.314 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[NH2+]Cc1noc2c1CNCC2 ZINC001246132586 1058689931 /nfs/dbraw/zinc/68/99/31/1058689931.db2.gz FGAGRRZZOPDIIE-MRXNPFEDSA-N 1 1 321.509 4.329 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[NH2+]Cc1noc2c1CNCC2 ZINC001246132034 1058690500 /nfs/dbraw/zinc/69/05/00/1058690500.db2.gz CHCVCHARPCKJJQ-MRXNPFEDSA-N 1 1 321.509 4.329 20 30 DIEDMO CCCCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001521038252 1058735757 /nfs/dbraw/zinc/73/57/57/1058735757.db2.gz LIECDVGYODJALJ-QZTJIDSGSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NC(C)C ZINC001278442348 1058815384 /nfs/dbraw/zinc/81/53/84/1058815384.db2.gz RWJSUERFBJDYCU-ROUUACIJSA-N 1 1 323.525 4.004 20 30 DIEDMO CCCCCCC[C@H](CC)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001246424199 1058923431 /nfs/dbraw/zinc/92/34/31/1058923431.db2.gz PRWUCGGFGOBXDD-IBGZPJMESA-N 1 1 317.521 4.389 20 30 DIEDMO CCCCCCC[C@H](CC)[NH2+]C1(c2cccnc2)CCNCC1 ZINC001246424199 1058923456 /nfs/dbraw/zinc/92/34/56/1058923456.db2.gz PRWUCGGFGOBXDD-IBGZPJMESA-N 1 1 317.521 4.389 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553694 1058998644 /nfs/dbraw/zinc/99/86/44/1058998644.db2.gz BVCSBEBJBDGPKQ-JKSUJKDBSA-N 1 1 304.469 4.432 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246635566 1059045261 /nfs/dbraw/zinc/04/52/61/1059045261.db2.gz CQBDZAKPUGAXJT-CVEARBPZSA-N 1 1 302.453 4.056 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246635566 1059045280 /nfs/dbraw/zinc/04/52/80/1059045280.db2.gz CQBDZAKPUGAXJT-CVEARBPZSA-N 1 1 302.453 4.056 20 30 DIEDMO C=C(C)[C@H](Nc1cc(CC)[nH+]c(C)n1)c1ccc(F)c(F)c1 ZINC001559169530 1059053323 /nfs/dbraw/zinc/05/33/23/1059053323.db2.gz RBVPUQYWYROXAF-KRWDZBQOSA-N 1 1 303.356 4.355 20 30 DIEDMO CCCCCCCCCCCC[N@@H+](C)[C@H]1CCN[C@H](C#N)C1 ZINC001246861191 1059138253 /nfs/dbraw/zinc/13/82/53/1059138253.db2.gz SWJJGKVWASCMAW-OALUTQOASA-N 1 1 307.526 4.483 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN[C@H](c2ccc(F)cc2C)C1 ZINC001246868649 1059142841 /nfs/dbraw/zinc/14/28/41/1059142841.db2.gz CONIMIAPBPWGMV-HKUYNNGSSA-N 1 1 304.453 4.215 20 30 DIEDMO C=CC[N@H+]([C@H]1CCN[C@@H](c2ccc(F)cc2C)C1)C(C)(C)C ZINC001246922067 1059177322 /nfs/dbraw/zinc/17/73/22/1059177322.db2.gz UXRAVSUBOOUNQG-FUHWJXTLSA-N 1 1 304.453 4.214 20 30 DIEDMO CCCCCCC[C@H](CC)N1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246933472 1059180798 /nfs/dbraw/zinc/18/07/98/1059180798.db2.gz IVXKQHSAYUXHME-KKUMJFAQSA-N 1 1 308.432 4.337 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+](CC(C)(C)C)C3CCNCC3)C[C@H](C1)C2 ZINC001246946779 1059193307 /nfs/dbraw/zinc/19/33/07/1059193307.db2.gz PFQXSUCPSCVCRQ-JJTKIYQPSA-N 1 1 304.522 4.221 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+](CC(C)(C)C)C3CCNCC3)C[C@H](C1)C2 ZINC001246946779 1059193317 /nfs/dbraw/zinc/19/33/17/1059193317.db2.gz PFQXSUCPSCVCRQ-JJTKIYQPSA-N 1 1 304.522 4.221 20 30 DIEDMO C=CC[N@H+](C1CCCCC1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246951151 1059194007 /nfs/dbraw/zinc/19/40/07/1059194007.db2.gz XYPMNWGZMRYSLO-TZIWHRDSSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246951151 1059194016 /nfs/dbraw/zinc/19/40/16/1059194016.db2.gz XYPMNWGZMRYSLO-TZIWHRDSSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@H+](C1CCCCC1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246951133 1059195507 /nfs/dbraw/zinc/19/55/07/1059195507.db2.gz XYPMNWGZMRYSLO-CTNGQTDRSA-N 1 1 312.501 4.170 20 30 DIEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246951133 1059195513 /nfs/dbraw/zinc/19/55/13/1059195513.db2.gz XYPMNWGZMRYSLO-CTNGQTDRSA-N 1 1 312.501 4.170 20 30 DIEDMO N#Cc1c(F)cccc1S[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001559419018 1059221912 /nfs/dbraw/zinc/22/19/12/1059221912.db2.gz RMBWFWQNJHUNIX-HNNXBMFYSA-N 1 1 312.413 4.064 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978593 1059222363 /nfs/dbraw/zinc/22/23/63/1059222363.db2.gz WKKUEOFZLCRNBR-CJNGLKHVSA-N 1 1 312.379 4.006 20 30 DIEDMO C=CCC[C@@H](C)N1CC[NH2+]C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001246978593 1059222387 /nfs/dbraw/zinc/22/23/87/1059222387.db2.gz WKKUEOFZLCRNBR-CJNGLKHVSA-N 1 1 312.379 4.006 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC(C)(C)OC1(C)C ZINC001559484575 1059258653 /nfs/dbraw/zinc/25/86/53/1059258653.db2.gz ZMVSLGYTVAVTJP-SFHVURJKSA-N 1 1 314.473 4.364 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](OC)c1ccc(F)cc1 ZINC001559495395 1059273356 /nfs/dbraw/zinc/27/33/56/1059273356.db2.gz DXVKUKPBCDVIFK-LJQANCHMSA-N 1 1 317.379 4.341 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](OC)c1ccc(F)cc1 ZINC001559495395 1059273374 /nfs/dbraw/zinc/27/33/74/1059273374.db2.gz DXVKUKPBCDVIFK-LJQANCHMSA-N 1 1 317.379 4.341 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H](OC)c1ccc(F)cc1 ZINC001559495394 1059274008 /nfs/dbraw/zinc/27/40/08/1059274008.db2.gz DXVKUKPBCDVIFK-IBGZPJMESA-N 1 1 317.379 4.341 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](OC)c1ccc(F)cc1 ZINC001559495394 1059274025 /nfs/dbraw/zinc/27/40/25/1059274025.db2.gz DXVKUKPBCDVIFK-IBGZPJMESA-N 1 1 317.379 4.341 20 30 DIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccccc2C1 ZINC001559498122 1059280344 /nfs/dbraw/zinc/28/03/44/1059280344.db2.gz WVGRCFFXFVSCHW-OAQYLSRUSA-N 1 1 304.437 4.328 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(OC)c1)[C@H]1CCc2ccccc21 ZINC001559499518 1059281731 /nfs/dbraw/zinc/28/17/31/1059281731.db2.gz WILISRQBGGSUHN-FQEVSTJZSA-N 1 1 305.421 4.126 20 30 DIEDMO C#CC[N@H+](CCCOc1ccccc1C)[C@H]1CCc2ccccc21 ZINC001559499065 1059283057 /nfs/dbraw/zinc/28/30/57/1059283057.db2.gz HMODVLTVECSHNG-NRFANRHFSA-N 1 1 319.448 4.387 20 30 DIEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCc1cccs1 ZINC001559501415 1059289350 /nfs/dbraw/zinc/28/93/50/1059289350.db2.gz IOZAIKXGOVOPJF-UHFFFAOYSA-N 1 1 303.858 4.318 20 30 DIEDMO CO[C@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CCCC1 ZINC001559505496 1059292635 /nfs/dbraw/zinc/29/26/35/1059292635.db2.gz JTSQRQBBLJEQLW-HXUWFJFHSA-N 1 1 314.473 4.221 20 30 DIEDMO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CCCC1 ZINC001559505494 1059293165 /nfs/dbraw/zinc/29/31/65/1059293165.db2.gz JTSQRQBBLJEQLW-FQEVSTJZSA-N 1 1 314.473 4.221 20 30 DIEDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC001559505247 1059294582 /nfs/dbraw/zinc/29/45/82/1059294582.db2.gz FQQGHUUIFRCLII-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)CO1 ZINC001559506819 1059296307 /nfs/dbraw/zinc/29/63/07/1059296307.db2.gz FCVPNGBMFDCVJA-LJQANCHMSA-N 1 1 312.457 4.118 20 30 DIEDMO C=CCCCCC[N@@H+](C)Cc1nc(C)c(Br)s1 ZINC001559556114 1059347575 /nfs/dbraw/zinc/34/75/75/1059347575.db2.gz SFLKLTSUAFNTLU-UHFFFAOYSA-N 1 1 317.296 4.392 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nc(C)c(Br)s1 ZINC001559556114 1059347600 /nfs/dbraw/zinc/34/76/00/1059347600.db2.gz SFLKLTSUAFNTLU-UHFFFAOYSA-N 1 1 317.296 4.392 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC001531541246 1059350982 /nfs/dbraw/zinc/35/09/82/1059350982.db2.gz XVQVERBSQMZVPY-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001559551903 1059362626 /nfs/dbraw/zinc/36/26/26/1059362626.db2.gz PXBLIPHHYMMHMS-GOSISDBHSA-N 1 1 300.446 4.228 20 30 DIEDMO Cc1ccc(C[N@@H+](CCOc2ccccc2C#N)C2CC2)cc1C ZINC001559557136 1059367952 /nfs/dbraw/zinc/36/79/52/1059367952.db2.gz RQIPPPIXZGTYND-UHFFFAOYSA-N 1 1 320.436 4.219 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568410 1059398596 /nfs/dbraw/zinc/39/85/96/1059398596.db2.gz WATKBMRIUSRQJG-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2cc(C#N)ccn2)o1 ZINC001559568410 1059398614 /nfs/dbraw/zinc/39/86/14/1059398614.db2.gz WATKBMRIUSRQJG-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001559574398 1059406084 /nfs/dbraw/zinc/40/60/84/1059406084.db2.gz YOUZLYMECGBEQG-IAGOWNOFSA-N 1 1 304.478 4.130 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](CCCOc2cccc(C(C)(C)C)c2)C1 ZINC001559674998 1059502922 /nfs/dbraw/zinc/50/29/22/1059502922.db2.gz YLROZVXCFBTBNY-IBGZPJMESA-N 1 1 317.473 4.030 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2ccccc2Cl)C2CC2)cc1 ZINC001559674213 1059504158 /nfs/dbraw/zinc/50/41/58/1059504158.db2.gz DVQSLAQQNVFJAC-UHFFFAOYSA-N 1 1 310.828 4.419 20 30 DIEDMO CC(C)c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001559717621 1059545638 /nfs/dbraw/zinc/54/56/38/1059545638.db2.gz SOEZHLZVOSTGPD-NRFANRHFSA-N 1 1 320.436 4.255 20 30 DIEDMO CC(C)c1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001559717621 1059545651 /nfs/dbraw/zinc/54/56/51/1059545651.db2.gz SOEZHLZVOSTGPD-NRFANRHFSA-N 1 1 320.436 4.255 20 30 DIEDMO C#CC[C@H]([NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001247609419 1059569540 /nfs/dbraw/zinc/56/95/40/1059569540.db2.gz HZOKESWORHGWTN-SFHVURJKSA-N 1 1 313.360 4.066 20 30 DIEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)no1 ZINC001247608896 1059571588 /nfs/dbraw/zinc/57/15/88/1059571588.db2.gz AKVBCWYIDUBPDZ-IIDMSEBBSA-N 1 1 323.440 4.444 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001247623081 1059572890 /nfs/dbraw/zinc/57/28/90/1059572890.db2.gz WZIBOXRAAXPWNI-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001559740961 1059575920 /nfs/dbraw/zinc/57/59/20/1059575920.db2.gz UTUFXMLDHQILGD-KRWDZBQOSA-N 1 1 324.509 4.454 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001247638510 1059581183 /nfs/dbraw/zinc/58/11/83/1059581183.db2.gz AMGRSCDUHIJJRR-HNNXBMFYSA-N 1 1 321.371 4.460 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C)c(C#N)c3)CCO2)cc1 ZINC001559750435 1059581632 /nfs/dbraw/zinc/58/16/32/1059581632.db2.gz MLCKBNXUTKRXSV-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)CCO2)cc1 ZINC001559750435 1059581652 /nfs/dbraw/zinc/58/16/52/1059581652.db2.gz MLCKBNXUTKRXSV-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(OCC)cc2)no1 ZINC001247638857 1059581871 /nfs/dbraw/zinc/58/18/71/1059581871.db2.gz DRYXKHZOOAHEMI-INIZCTEOSA-N 1 1 315.417 4.272 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccccc2C(C)=O)no1 ZINC001247639276 1059582183 /nfs/dbraw/zinc/58/21/83/1059582183.db2.gz JGQXCKXYFQHRPA-INIZCTEOSA-N 1 1 313.401 4.076 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2F)no1 ZINC001247640251 1059587469 /nfs/dbraw/zinc/58/74/69/1059587469.db2.gz XUZNWOFKVNCQCY-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@@]1(c2ccccc2)CCCCC1=O ZINC001559756158 1059590691 /nfs/dbraw/zinc/59/06/91/1059590691.db2.gz RTPPIRATGDYGGD-WIXQSORDSA-N 1 1 324.468 4.287 20 30 DIEDMO C=C(C)[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767117 1059605089 /nfs/dbraw/zinc/60/50/89/1059605089.db2.gz STEQCBZDVBWBOS-DOXZYTNZSA-N 1 1 322.443 4.150 20 30 DIEDMO CCCCCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001532399976 1059618733 /nfs/dbraw/zinc/61/87/33/1059618733.db2.gz MJWJPNKJHCVMCC-SFHVURJKSA-N 1 1 308.510 4.260 20 30 DIEDMO Cc1ccccc1[C@@]1(F)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC001559787671 1059622041 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MYTLVVRGOAZHNV-JTQLQIEISA-N 1 1 316.189 4.125 20 30 DIEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473675710 1061335523 /nfs/dbraw/zinc/33/55/23/1061335523.db2.gz WMKYLAKRLCHRHJ-LPHOPBHVSA-N 1 1 324.509 4.336 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676124 1061336409 /nfs/dbraw/zinc/33/64/09/1061336409.db2.gz KOVABPCZFVQMDA-LPHOPBHVSA-N 1 1 322.493 4.112 20 30 DIEDMO CCC#C[C@@H](C)[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC001473682007 1061342339 /nfs/dbraw/zinc/34/23/39/1061342339.db2.gz VTVSDWJFTIUPGV-ZJUUUORDSA-N 1 1 304.743 4.206 20 30 DIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc2ccccc2c1 ZINC001473732922 1061378470 /nfs/dbraw/zinc/37/84/70/1061378470.db2.gz ZDCILWDMGODATM-UHFFFAOYSA-N 1 1 300.405 4.386 20 30 DIEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001473763393 1061399917 /nfs/dbraw/zinc/39/99/17/1061399917.db2.gz YXFGXCBLHUYPFB-CQSZACIVSA-N 1 1 312.438 4.008 20 30 DIEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CC1(CC#N)CC1 ZINC001473762354 1061400997 /nfs/dbraw/zinc/40/09/97/1061400997.db2.gz RLFVGHOBYYNBFQ-AWEZNQCLSA-N 1 1 304.384 4.227 20 30 DIEDMO C=CCCC[N@@H+]1CCCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001473796073 1061410336 /nfs/dbraw/zinc/41/03/36/1061410336.db2.gz BPBQKJLLVDITDA-IBGZPJMESA-N 1 1 322.493 4.066 20 30 DIEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001251609526 1061416092 /nfs/dbraw/zinc/41/60/92/1061416092.db2.gz WFAQECXPDBSOKP-KRWDZBQOSA-N 1 1 323.525 4.075 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001473854719 1061433946 /nfs/dbraw/zinc/43/39/46/1061433946.db2.gz MPAMMTDBJZVDEO-MRXNPFEDSA-N 1 1 318.417 4.313 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC001473857051 1061434000 /nfs/dbraw/zinc/43/40/00/1061434000.db2.gz BBIAOIYHDVXEGW-ZNMIVQPWSA-N 1 1 317.395 4.355 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001473857608 1061436669 /nfs/dbraw/zinc/43/66/69/1061436669.db2.gz YDCWNKREVPHDJM-KRWDZBQOSA-N 1 1 311.425 4.340 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001473857557 1061437437 /nfs/dbraw/zinc/43/74/37/1061437437.db2.gz WKCNFJNBALMDBR-HNNXBMFYSA-N 1 1 306.356 4.090 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC001473865158 1061440147 /nfs/dbraw/zinc/44/01/47/1061440147.db2.gz LXHFJHTZGXIIQO-LJQANCHMSA-N 1 1 306.409 4.089 20 30 DIEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCc2ccccc2C1 ZINC001473881514 1061447727 /nfs/dbraw/zinc/44/77/27/1061447727.db2.gz UAMXPBZGSCVSQJ-FQEVSTJZSA-N 1 1 309.840 4.181 20 30 DIEDMO CC(C)c1ccc2c(c1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001473904702 1061455136 /nfs/dbraw/zinc/45/51/36/1061455136.db2.gz INPFPEYDLGRNNW-UHFFFAOYSA-N 1 1 304.437 4.282 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccc(Cl)c1 ZINC001473913755 1061461433 /nfs/dbraw/zinc/46/14/33/1061461433.db2.gz ZMRWMDVHJJUTBO-UHFFFAOYSA-N 1 1 320.219 4.295 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001252124073 1061580773 /nfs/dbraw/zinc/58/07/73/1061580773.db2.gz OFBWNGJFACMSEQ-ZDUSSCGKSA-N 1 1 318.914 4.340 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001252124073 1061580792 /nfs/dbraw/zinc/58/07/92/1061580792.db2.gz OFBWNGJFACMSEQ-ZDUSSCGKSA-N 1 1 318.914 4.340 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001252130694 1061585182 /nfs/dbraw/zinc/58/51/82/1061585182.db2.gz WRZYNPKESFZCLP-WOJBJXKFSA-N 1 1 318.505 4.200 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001252128545 1061585515 /nfs/dbraw/zinc/58/55/15/1061585515.db2.gz OOUVQTACULPFSA-IBGZPJMESA-N 1 1 302.462 4.102 20 30 DIEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001464403289 1061587605 /nfs/dbraw/zinc/58/76/05/1061587605.db2.gz RTFITYWMBWYKMQ-HKUYNNGSSA-N 1 1 314.473 4.027 20 30 DIEDMO C=C[C@@](C)(O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252557233 1061664126 /nfs/dbraw/zinc/66/41/26/1061664126.db2.gz IJVSIYJKJLJTTP-DYESRHJHSA-N 1 1 320.436 4.058 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cn2ccnc2s1)c1ccc(F)c(F)c1 ZINC001474117470 1061666103 /nfs/dbraw/zinc/66/61/03/1061666103.db2.gz XRJFUSDGKGGNKB-OAHLLOKOSA-N 1 1 319.380 4.081 20 30 DIEDMO C#CCOc1cccc(Cl)c1CNc1cccc(C2CC2)[nH+]1 ZINC001474156228 1061697663 /nfs/dbraw/zinc/69/76/63/1061697663.db2.gz XXGIGZUBQLYEBM-UHFFFAOYSA-N 1 1 312.800 4.237 20 30 DIEDMO CC(C)([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC001474207283 1061760684 /nfs/dbraw/zinc/76/06/84/1061760684.db2.gz OJURTNVEABAZSU-UHFFFAOYSA-N 1 1 317.392 4.238 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)Cc1cnc(C)nc1 ZINC001252982548 1061771822 /nfs/dbraw/zinc/77/18/22/1061771822.db2.gz HEOYRMHOPOAQJO-IBGZPJMESA-N 1 1 321.509 4.109 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001252980855 1061773594 /nfs/dbraw/zinc/77/35/94/1061773594.db2.gz ZUDLINOTBKWMDZ-FQEVSTJZSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cc(C)nn1C ZINC001252984455 1061776491 /nfs/dbraw/zinc/77/64/91/1061776491.db2.gz IKCMXYVLCUJVJA-LJQANCHMSA-N 1 1 323.525 4.052 20 30 DIEDMO C=C(CC(C)C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001465803728 1061814040 /nfs/dbraw/zinc/81/40/40/1061814040.db2.gz WUXUPDVBHYYNPG-SFHVURJKSA-N 1 1 320.521 4.092 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC001474268208 1061835871 /nfs/dbraw/zinc/83/58/71/1061835871.db2.gz HQMQIXPSBNPGOF-UHFFFAOYSA-N 1 1 304.315 4.000 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(C(F)F)c(F)c2)c1 ZINC001474269474 1061836476 /nfs/dbraw/zinc/83/64/76/1061836476.db2.gz YOWMSRFMRWVSMG-UHFFFAOYSA-N 1 1 308.278 4.064 20 30 DIEDMO C=CCCCCCC[C@@H](O)CNc1cc(C)[nH+]c2[nH]ccc21 ZINC001253233598 1061837452 /nfs/dbraw/zinc/83/74/52/1061837452.db2.gz IUGMUCLWZDBNIR-OAHLLOKOSA-N 1 1 301.434 4.122 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001253241277 1061842471 /nfs/dbraw/zinc/84/24/71/1061842471.db2.gz SPPSUAGCUJKKEA-VQTJNVASSA-N 1 1 316.489 4.414 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)C1CCN(CCCC)CC1 ZINC001253242567 1061842786 /nfs/dbraw/zinc/84/27/86/1061842786.db2.gz NGUGPJOARNQPNO-FQEVSTJZSA-N 1 1 324.553 4.070 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)C1CCN(CCCC)CC1 ZINC001253242567 1061842770 /nfs/dbraw/zinc/84/27/70/1061842770.db2.gz NGUGPJOARNQPNO-FQEVSTJZSA-N 1 1 324.553 4.070 20 30 DIEDMO C=CCCn1cc(C[N@H+](CC2CCC2)[C@H](C)c2ccccc2)nn1 ZINC001474317200 1061890326 /nfs/dbraw/zinc/89/03/26/1061890326.db2.gz JYDFNTXKVNODMY-QGZVFWFLSA-N 1 1 324.472 4.218 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C(C)C)ccc1O ZINC001474339406 1061935321 /nfs/dbraw/zinc/93/53/21/1061935321.db2.gz QJMYHPUQFKNDAC-UHFFFAOYSA-N 1 1 311.400 4.290 20 30 DIEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC001474339284 1061935448 /nfs/dbraw/zinc/93/54/48/1061935448.db2.gz HRQGDBYVMZNZEN-HOCLYGCPSA-N 1 1 306.837 4.123 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(CCC)s1)Cc1ccc(F)cc1 ZINC001474338815 1061935855 /nfs/dbraw/zinc/93/58/55/1061935855.db2.gz FFJKEZJGYXBLBW-UHFFFAOYSA-N 1 1 301.430 4.475 20 30 DIEDMO C#CC[N@H+](Cc1ccc(CCC)s1)Cc1ccc(F)cc1 ZINC001474338815 1061935881 /nfs/dbraw/zinc/93/58/81/1061935881.db2.gz FFJKEZJGYXBLBW-UHFFFAOYSA-N 1 1 301.430 4.475 20 30 DIEDMO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)CC(C)(C)C)cc1F ZINC001474339924 1061936278 /nfs/dbraw/zinc/93/62/78/1061936278.db2.gz RGRZTMREMDVBSR-OAHLLOKOSA-N 1 1 320.452 4.275 20 30 DIEDMO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1C(C)(C)C ZINC001474357951 1061975562 /nfs/dbraw/zinc/97/55/62/1061975562.db2.gz GKZBKXMJFAWOMK-AWEZNQCLSA-N 1 1 300.446 4.117 20 30 DIEDMO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1C(C)(C)C ZINC001474357951 1061975585 /nfs/dbraw/zinc/97/55/85/1061975585.db2.gz GKZBKXMJFAWOMK-AWEZNQCLSA-N 1 1 300.446 4.117 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1cccc(COc2ccccc2)c1)C1CC1 ZINC001474358583 1061980647 /nfs/dbraw/zinc/98/06/47/1061980647.db2.gz KTIYPMAJRFGQBF-QGZVFWFLSA-N 1 1 320.436 4.390 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1cccc(COc2ccccc2)c1)C1CC1 ZINC001474358583 1061980673 /nfs/dbraw/zinc/98/06/73/1061980673.db2.gz KTIYPMAJRFGQBF-QGZVFWFLSA-N 1 1 320.436 4.390 20 30 DIEDMO CC[N@@H+](CC1(OC)CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001474369506 1062001151 /nfs/dbraw/zinc/00/11/51/1062001151.db2.gz HPSLVGDNBBCCRQ-INIZCTEOSA-N 1 1 300.446 4.290 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCCC[C@H]2Cc2ccc(F)cc2)cs1 ZINC001474367633 1062003386 /nfs/dbraw/zinc/00/33/86/1062003386.db2.gz JJOSOAMQSVOMPO-KRWDZBQOSA-N 1 1 314.429 4.356 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)CCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC001474370622 1062008710 /nfs/dbraw/zinc/00/87/10/1062008710.db2.gz YEVAPPLKYRFBQM-INIZCTEOSA-N 1 1 320.436 4.466 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC001474384153 1062029407 /nfs/dbraw/zinc/02/94/07/1062029407.db2.gz OZRFTAAJNYHGBB-UHFFFAOYSA-N 1 1 319.807 4.415 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(O)ccc(Cl)c1F ZINC001474384153 1062029429 /nfs/dbraw/zinc/02/94/29/1062029429.db2.gz OZRFTAAJNYHGBB-UHFFFAOYSA-N 1 1 319.807 4.415 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnn1-c1ccccc1C ZINC001474392223 1062046044 /nfs/dbraw/zinc/04/60/44/1062046044.db2.gz UWRRTCJEIYFRSE-UHFFFAOYSA-N 1 1 321.424 4.004 20 30 DIEDMO C[N@@H+](Cc1cc2c(cccc2O)s1)Cc1cccc(C#N)c1 ZINC001474401938 1062057149 /nfs/dbraw/zinc/05/71/49/1062057149.db2.gz YXUBRQVFNUGLAF-UHFFFAOYSA-N 1 1 308.406 4.111 20 30 DIEDMO C=CC[N@H+]([C@H]1CCCN(C(=O)OC(C)(C)C)CC1)C(C)(C)C ZINC001254311661 1062075955 /nfs/dbraw/zinc/07/59/55/1062075955.db2.gz IKXFXTMVYLWTCZ-HNNXBMFYSA-N 1 1 310.482 4.063 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)c(C)c1 ZINC001459309439 1062082798 /nfs/dbraw/zinc/08/27/98/1062082798.db2.gz KZSWHJNMZUUVMX-UHFFFAOYSA-N 1 1 321.468 4.345 20 30 DIEDMO CC1(C)CCC[N@H+]1C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352534 1062083895 /nfs/dbraw/zinc/08/38/95/1062083895.db2.gz AWCMYQBOUJMILR-UHFFFAOYSA-N 1 1 300.421 4.404 20 30 DIEDMO CC1(C)[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccc(F)cc4)CC3)C[C@@H]21 ZINC001254355361 1062084250 /nfs/dbraw/zinc/08/42/50/1062084250.db2.gz FGWCEYYJLGRDOB-OYBTXZFASA-N 1 1 312.432 4.117 20 30 DIEDMO C[C@]1(CF)CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353255 1062084661 /nfs/dbraw/zinc/08/46/61/1062084661.db2.gz YABBHVYLJUDUBJ-JLAWEPINSA-N 1 1 318.411 4.211 20 30 DIEDMO Cc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2cccc(C#N)n2)cc1 ZINC001474420591 1062092937 /nfs/dbraw/zinc/09/29/37/1062092937.db2.gz YCWKFVLBNCLUPU-INIZCTEOSA-N 1 1 319.330 4.045 20 30 DIEDMO C#CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC001459346870 1062101170 /nfs/dbraw/zinc/10/11/70/1062101170.db2.gz UHKCNWXUCZPXRK-OAQYLSRUSA-N 1 1 319.835 4.314 20 30 DIEDMO C#CC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC001459346870 1062101174 /nfs/dbraw/zinc/10/11/74/1062101174.db2.gz UHKCNWXUCZPXRK-OAQYLSRUSA-N 1 1 319.835 4.314 20 30 DIEDMO CC[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459355274 1062108522 /nfs/dbraw/zinc/10/85/22/1062108522.db2.gz WOIFSRBVPOOJEJ-LPHOPBHVSA-N 1 1 312.457 4.433 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](CCc1ccccc1)C(C)C ZINC001459372218 1062116395 /nfs/dbraw/zinc/11/63/95/1062116395.db2.gz RMUUJEUWPOGVBJ-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO C#CC[N@H+](CCCOc1cccc(Cl)c1)C1CCCCC1 ZINC001459394169 1062126915 /nfs/dbraw/zinc/12/69/15/1062126915.db2.gz UXANXEIZJLCXNQ-UHFFFAOYSA-N 1 1 305.849 4.377 20 30 DIEDMO C=CC[N@H+](CC[C@@H]1CCCC1(F)F)Cc1cccc(C#N)c1 ZINC001459398388 1062127265 /nfs/dbraw/zinc/12/72/65/1062127265.db2.gz KTSZGGIFVPEEEG-KRWDZBQOSA-N 1 1 304.384 4.372 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1cccc(C#N)c1 ZINC001459394691 1062127838 /nfs/dbraw/zinc/12/78/38/1062127838.db2.gz FCPBPPSGYCHWHB-MRXNPFEDSA-N 1 1 301.393 4.179 20 30 DIEDMO CCCC[N@H+](Cc1cc(C#N)ccn1)Cc1ccccc1Cl ZINC001459413797 1062134492 /nfs/dbraw/zinc/13/44/92/1062134492.db2.gz IYMZBYILCWTBGM-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO CCCC[N@@H+](Cc1cc(C#N)ccn1)Cc1ccccc1Cl ZINC001459413797 1062134499 /nfs/dbraw/zinc/13/44/99/1062134499.db2.gz IYMZBYILCWTBGM-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCc2c(Br)cccc2C1 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CC(C)[C@H]1[N@@H+](Cc2cc(C#N)ccc2Br)CC1(C)C ZINC001474550307 1062248400 /nfs/dbraw/zinc/24/84/00/1062248400.db2.gz PXYBCMYEUZJBIM-OAHLLOKOSA-N 1 1 321.262 4.187 20 30 DIEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001459623587 1062256475 /nfs/dbraw/zinc/25/64/75/1062256475.db2.gz MCQWWUVKZABWLC-JOCHJYFZSA-N 1 1 318.464 4.446 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)cc1 ZINC001474587186 1062297750 /nfs/dbraw/zinc/29/77/50/1062297750.db2.gz ZUTMMDSVECZYNH-IBGZPJMESA-N 1 1 311.375 4.153 20 30 DIEDMO CCCCCCCC[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC001459701310 1062318255 /nfs/dbraw/zinc/31/82/55/1062318255.db2.gz PNUKMAGHPGBJAC-UHFFFAOYSA-N 1 1 312.404 4.196 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC001255157229 1062345060 /nfs/dbraw/zinc/34/50/60/1062345060.db2.gz YSYNQQAHUQWJTH-AWEZNQCLSA-N 1 1 307.235 4.110 20 30 DIEDMO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001459718478 1062334950 /nfs/dbraw/zinc/33/49/50/1062334950.db2.gz 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C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCC(C)(C)CC1)C2 ZINC001255304167 1062383831 /nfs/dbraw/zinc/38/38/31/1062383831.db2.gz HKYUSPGYFPPXHI-UYAOXDASSA-N 1 1 321.505 4.029 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001459775386 1062388308 /nfs/dbraw/zinc/38/83/08/1062388308.db2.gz LWIHAMAYUMDBTR-CABCVRRESA-N 1 1 311.375 4.324 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC001459775386 1062388329 /nfs/dbraw/zinc/38/83/29/1062388329.db2.gz LWIHAMAYUMDBTR-CABCVRRESA-N 1 1 311.375 4.324 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OCc2ccc(F)cc2)cc1)CC1CC1 ZINC001459778707 1062391062 /nfs/dbraw/zinc/39/10/62/1062391062.db2.gz TUSNQQREFVCUPO-UHFFFAOYSA-N 1 1 323.411 4.250 20 30 DIEDMO C=CCOCC[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@@H]1C ZINC001459788478 1062399520 /nfs/dbraw/zinc/39/95/20/1062399520.db2.gz UADWVFXZFATSKU-PGRDOPGGSA-N 1 1 321.464 4.268 20 30 DIEDMO C=CCOCC[N@@H+]1CCc2ccccc2[C@@H](c2ccccc2)[C@H]1C ZINC001459788480 1062399830 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CCCCCCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001459894135 1062477181 /nfs/dbraw/zinc/47/71/81/1062477181.db2.gz VYEJKMXYZWCYAS-IBGZPJMESA-N 1 1 300.446 4.292 20 30 DIEDMO COC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001255581737 1062485552 /nfs/dbraw/zinc/48/55/52/1062485552.db2.gz NJQBRZDKFFPMGE-IAGOWNOFSA-N 1 1 308.425 4.156 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC001459929580 1062499830 /nfs/dbraw/zinc/49/98/30/1062499830.db2.gz FBBQGPIBEOITOK-HIFRSBDPSA-N 1 1 310.363 4.338 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC001460025854 1062583412 /nfs/dbraw/zinc/58/34/12/1062583412.db2.gz ZKNGCLQTTYWUFS-KRWDZBQOSA-N 1 1 300.446 4.085 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCCC1(C)C ZINC001460032162 1062586268 /nfs/dbraw/zinc/58/62/68/1062586268.db2.gz LCUKRHYPGJSSOU-KRWDZBQOSA-N 1 1 313.401 4.033 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)CC1CCC(C(F)(F)F)CC1 ZINC001460067857 1062611658 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/nfs/dbraw/zinc/48/31/68/1063483168.db2.gz WMVUOMUKXMKQJH-CEXWTWQISA-N 1 1 311.510 4.395 20 30 DIEDMO CCCCCCCCCCC[C@H](C)[N@@H+]1CCn2cnnc2C1 ZINC001258051273 1063484418 /nfs/dbraw/zinc/48/44/18/1063484418.db2.gz DNISABRLCHKNLI-KRWDZBQOSA-N 1 1 306.498 4.403 20 30 DIEDMO CCCCCCCCCCC[C@H](C)[N@H+]1CCn2cnnc2C1 ZINC001258051273 1063484449 /nfs/dbraw/zinc/48/44/49/1063484449.db2.gz DNISABRLCHKNLI-KRWDZBQOSA-N 1 1 306.498 4.403 20 30 DIEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001473186560 1063493328 /nfs/dbraw/zinc/49/33/28/1063493328.db2.gz MESKTIJWTFXSDY-WOJBJXKFSA-N 1 1 305.425 4.030 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)C[C@@H](C)CC(C)C)C2 ZINC001258069430 1063497546 /nfs/dbraw/zinc/49/75/46/1063497546.db2.gz HYTVHYDCQNJVLP-ZGXWSNOMSA-N 1 1 323.521 4.273 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](C)CCC=C(C)C)CC2 ZINC001258092896 1063513092 /nfs/dbraw/zinc/51/30/92/1063513092.db2.gz MPIIIXZRBNCCHK-UYAOXDASSA-N 1 1 318.505 4.154 20 30 DIEDMO C[C@@H](Cc1ccco1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258194564 1063555411 /nfs/dbraw/zinc/55/54/11/1063555411.db2.gz JHGSTXQLTUJIHH-AWEZNQCLSA-N 1 1 302.805 4.280 20 30 DIEDMO C[C@@H](Cc1ccco1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258194564 1063555430 /nfs/dbraw/zinc/55/54/30/1063555430.db2.gz JHGSTXQLTUJIHH-AWEZNQCLSA-N 1 1 302.805 4.280 20 30 DIEDMO C[C@H](Cc1ccco1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258194565 1063556210 /nfs/dbraw/zinc/55/62/10/1063556210.db2.gz JHGSTXQLTUJIHH-CQSZACIVSA-N 1 1 302.805 4.280 20 30 DIEDMO C[C@H](Cc1ccco1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258194565 1063556225 /nfs/dbraw/zinc/55/62/25/1063556225.db2.gz JHGSTXQLTUJIHH-CQSZACIVSA-N 1 1 302.805 4.280 20 30 DIEDMO C=C[C@H](CC)CC(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC001546125106 1063564299 /nfs/dbraw/zinc/56/42/99/1063564299.db2.gz VKEQXOWNGZKSJB-GOSISDBHSA-N 1 1 322.537 4.195 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001258227870 1063569776 /nfs/dbraw/zinc/56/97/76/1063569776.db2.gz BLBIYVFOKQSERX-HZPDHXFCSA-N 1 1 305.453 4.465 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001258230021 1063567477 /nfs/dbraw/zinc/56/74/77/1063567477.db2.gz XHITXYUQLWFTMK-KRWDZBQOSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001258229967 1063567942 /nfs/dbraw/zinc/56/79/42/1063567942.db2.gz WEADPZDAWGRGLQ-MJGOQNOKSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258229987 1063568805 /nfs/dbraw/zinc/56/88/05/1063568805.db2.gz WVCJAPDWRWQGSZ-KZNAEPCWSA-N 1 1 308.510 4.211 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258232206 1063571508 /nfs/dbraw/zinc/57/15/08/1063571508.db2.gz CDJBOHKAFJQXIC-SJORKVTESA-N 1 1 317.539 4.025 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1CCCC(C)(C)C1)C2 ZINC001258286137 1063586918 /nfs/dbraw/zinc/58/69/18/1063586918.db2.gz GXOFDLFGGKRRQK-WSTZPKSXSA-N 1 1 321.505 4.029 20 30 DIEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258286135 1063587223 /nfs/dbraw/zinc/58/72/23/1063587223.db2.gz GXOFDLFGGKRRQK-NLWGTHIKSA-N 1 1 321.505 4.029 20 30 DIEDMO N#CC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CCCCC1 ZINC001461643949 1063629702 /nfs/dbraw/zinc/62/97/02/1063629702.db2.gz AWAQVXSUVGGGJG-UHFFFAOYSA-N 1 1 314.326 4.408 20 30 DIEDMO COc1ccc(CC[C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001258403293 1063640022 /nfs/dbraw/zinc/64/00/22/1063640022.db2.gz KGOGILPHZLRDTL-INIZCTEOSA-N 1 1 308.425 4.020 20 30 DIEDMO CCCC[N@@H+](CCC#N)C1CCN(c2ccccc2Cl)CC1 ZINC001258544377 1063691127 /nfs/dbraw/zinc/69/11/27/1063691127.db2.gz RASMGVKJUJGVNN-UHFFFAOYSA-N 1 1 319.880 4.325 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCc2ccccc21 ZINC001461862327 1063756555 /nfs/dbraw/zinc/75/65/55/1063756555.db2.gz CEQXUDSDZJTHKU-FQEVSTJZSA-N 1 1 304.437 4.499 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698608 1063758316 /nfs/dbraw/zinc/75/83/16/1063758316.db2.gz RGMCHCWSADUXPR-HLNWXESRSA-N 1 1 321.505 4.027 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1C[C@H](C)CC(C)(C)C1)C2 ZINC001258698605 1063758463 /nfs/dbraw/zinc/75/84/63/1063758463.db2.gz RGMCHCWSADUXPR-CGBFIWBNSA-N 1 1 321.505 4.027 20 30 DIEDMO Cc1cc(C[N@H+](C)Cc2ccc(Cl)c(F)c2)ccc1C#N ZINC001461866878 1063759257 /nfs/dbraw/zinc/75/92/57/1063759257.db2.gz OQAALKHQZYKFBH-UHFFFAOYSA-N 1 1 302.780 4.291 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCc2ccccc2C1 ZINC001461868718 1063759810 /nfs/dbraw/zinc/75/98/10/1063759810.db2.gz DZVVKPAEABWYIS-IBGZPJMESA-N 1 1 321.464 4.488 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726821 1063778290 /nfs/dbraw/zinc/77/82/90/1063778290.db2.gz XJTGRMMLKGFZGR-APWZRJJASA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001258725337 1063778350 /nfs/dbraw/zinc/77/83/50/1063778350.db2.gz JBTUOBTUWDVMBY-HBFSDRIKSA-N 1 1 300.490 4.089 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001258727342 1063778995 /nfs/dbraw/zinc/77/89/95/1063778995.db2.gz DXUMYMDJPKYPAT-SXLOBPIMSA-N 1 1 314.473 4.055 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001258731467 1063781893 /nfs/dbraw/zinc/78/18/93/1063781893.db2.gz YDYDJOKADKAQFS-NXHRZFHOSA-N 1 1 321.468 4.013 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736468 1063783628 /nfs/dbraw/zinc/78/36/28/1063783628.db2.gz UIQVBZOKKXDZLO-CZUORRHYSA-N 1 1 313.363 4.433 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001461914806 1063797461 /nfs/dbraw/zinc/79/74/61/1063797461.db2.gz QRBOGRFEBBZFJY-ZIAGYGMSSA-N 1 1 313.832 4.231 20 30 DIEDMO C#CC[N@H+](C/C(C)=C\c1ccccc1OC(F)F)CC1CC1 ZINC001461926022 1063810306 /nfs/dbraw/zinc/81/03/06/1063810306.db2.gz KEWXXKNGLVKJHV-KAMYIIQDSA-N 1 1 305.368 4.037 20 30 DIEDMO CCCN1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001258774006 1063816523 /nfs/dbraw/zinc/81/65/23/1063816523.db2.gz HFYGFYGLEDQNLG-UHFFFAOYSA-N 1 1 305.510 4.189 20 30 DIEDMO CCCN1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001258774006 1063816532 /nfs/dbraw/zinc/81/65/32/1063816532.db2.gz HFYGFYGLEDQNLG-UHFFFAOYSA-N 1 1 305.510 4.189 20 30 DIEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](CC)C[C@H](C)CC)CCC2 ZINC001258791002 1063828543 /nfs/dbraw/zinc/82/85/43/1063828543.db2.gz OZZALJIUGHOWNO-SJORKVTESA-N 1 1 319.493 4.006 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](CC)C[C@H](C)CC)CC2 ZINC001258793243 1063832078 /nfs/dbraw/zinc/83/20/78/1063832078.db2.gz MFAGJSOLYQUFCJ-GGPKGHCWSA-N 1 1 320.521 4.234 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1C ZINC001461964553 1063845895 /nfs/dbraw/zinc/84/58/95/1063845895.db2.gz KYZAXQCVTBQMPU-UHFFFAOYSA-N 1 1 321.468 4.345 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C(CC(C)C)CC(C)C)C2 ZINC001258834710 1063855921 /nfs/dbraw/zinc/85/59/21/1063855921.db2.gz HSWGCAZKRWSPLG-PMACEKPBSA-N 1 1 323.521 4.273 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@H]1c1ccccc1 ZINC001461990050 1063862552 /nfs/dbraw/zinc/86/25/52/1063862552.db2.gz VRQQRYKKTSNSRO-RTWAWAEBSA-N 1 1 302.421 4.350 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OCC)cc1C ZINC001461990924 1063864705 /nfs/dbraw/zinc/86/47/05/1063864705.db2.gz XAYHDNJGUWSZSU-UHFFFAOYSA-N 1 1 320.436 4.454 20 30 DIEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3)cc2OC)C1 ZINC001461994458 1063865430 /nfs/dbraw/zinc/86/54/30/1063865430.db2.gz CBDHPDRACJJNLJ-FQEVSTJZSA-N 1 1 323.436 4.139 20 30 DIEDMO CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1N(C)C ZINC001462017880 1063880775 /nfs/dbraw/zinc/88/07/75/1063880775.db2.gz BNYRHLJRFZFNRV-KRWDZBQOSA-N 1 1 321.468 4.425 20 30 DIEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC001462021480 1063884484 /nfs/dbraw/zinc/88/44/84/1063884484.db2.gz WJNMBYBCKOPWKP-UHFFFAOYSA-N 1 1 319.326 4.199 20 30 DIEDMO Cc1ccc(C[NH+]2CCC(C(=O)c3cccs3)CC2)cc1C#N ZINC001261795427 1063947042 /nfs/dbraw/zinc/94/70/42/1063947042.db2.gz UTCFTJZTIRWGMV-UHFFFAOYSA-N 1 1 324.449 4.023 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](C(N)=O)[C@@H]1c1ccccc1 ZINC001279835020 1064369416 /nfs/dbraw/zinc/36/94/16/1064369416.db2.gz WVMHFSMDXQFWQA-MOPGFXCFSA-N 1 1 314.473 4.062 20 30 DIEDMO CCCC[C@H](CC)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC#N ZINC001280185591 1064384997 /nfs/dbraw/zinc/38/49/97/1064384997.db2.gz NCKNRVLTWBGQIW-GBESFXJTSA-N 1 1 305.510 4.045 20 30 DIEDMO CCCC[C@H](CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCCCC#N ZINC001280185591 1064385005 /nfs/dbraw/zinc/38/50/05/1064385005.db2.gz NCKNRVLTWBGQIW-GBESFXJTSA-N 1 1 305.510 4.045 20 30 DIEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCCCC#N ZINC001280185591 1064385014 /nfs/dbraw/zinc/38/50/14/1064385014.db2.gz NCKNRVLTWBGQIW-GBESFXJTSA-N 1 1 305.510 4.045 20 30 DIEDMO CCCCCCCOC(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001280344521 1064395710 /nfs/dbraw/zinc/39/57/10/1064395710.db2.gz QGQLIYXCXHXJSN-FUHWJXTLSA-N 1 1 322.493 4.042 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001298378274 1065004369 /nfs/dbraw/zinc/00/43/69/1065004369.db2.gz XCYWMAKRVWOSKL-FHWLQOOXSA-N 1 1 322.537 4.316 20 30 DIEDMO CCCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001298378277 1065004882 /nfs/dbraw/zinc/00/48/82/1065004882.db2.gz XCYWMAKRVWOSKL-OTWHNJEPSA-N 1 1 322.537 4.316 20 30 DIEDMO C=CCOCC[N@H+](C)Cc1ccc2c(c1)c1ccccc1n2CC ZINC001307418182 1065380512 /nfs/dbraw/zinc/38/05/12/1065380512.db2.gz DXQFLRYBNYIWOP-UHFFFAOYSA-N 1 1 322.452 4.449 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001307425337 1065385694 /nfs/dbraw/zinc/38/56/94/1065385694.db2.gz CYKBRNJISFMEDC-MRXNPFEDSA-N 1 1 303.409 4.321 20 30 DIEDMO CC(C)C[N@H+](CC#Cc1ccc(F)cc1)CCc1ccccc1 ZINC001307432292 1065393110 /nfs/dbraw/zinc/39/31/10/1065393110.db2.gz XNIFINZTCRWVCC-UHFFFAOYSA-N 1 1 309.428 4.378 20 30 DIEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001307433998 1065394342 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C=CCC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccco1 ZINC000285944339 335028132 /nfs/dbraw/zinc/02/81/32/335028132.db2.gz DQKYYZBBODKNBB-INIZCTEOSA-N 1 1 313.397 4.238 20 30 DIEDMO C=CCCCCCCCC[NH2+][C@@H](c1ncc[nH]1)c1ccccn1 ZINC000287162592 335041361 /nfs/dbraw/zinc/04/13/61/335041361.db2.gz UCAIJRXNXTWZDK-GOSISDBHSA-N 1 1 312.461 4.400 20 30 DIEDMO Cc1nc2ccc(C[N@H+](C)Cc3cccc(C#N)c3)cc2s1 ZINC000426038553 335042922 /nfs/dbraw/zinc/04/29/22/335042922.db2.gz ZPXABDZSBSWVEB-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000564537472 335058090 /nfs/dbraw/zinc/05/80/90/335058090.db2.gz VNZFXEKCERWZLY-KURKYZTESA-N 1 1 323.465 4.173 20 30 DIEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCc4c3c(F)ccc4F)CC2)c1 ZINC000272317773 130020179 /nfs/dbraw/zinc/02/01/79/130020179.db2.gz VHNTYEVPIKOJCA-QGZVFWFLSA-N 1 1 310.347 4.103 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000284985927 131128000 /nfs/dbraw/zinc/12/80/00/131128000.db2.gz 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C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281916898 334129487 /nfs/dbraw/zinc/12/94/87/334129487.db2.gz GYFUPTRNJABPBH-CQSZACIVSA-N 1 1 322.399 4.058 20 30 DIEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000281919171 334129555 /nfs/dbraw/zinc/12/95/55/334129555.db2.gz HCHXTTSJBRKJQC-UHFFFAOYSA-N 1 1 306.475 4.059 20 30 DIEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281929759 334129776 /nfs/dbraw/zinc/12/97/76/334129776.db2.gz HWQRYWXLEPOROA-IBGZPJMESA-N 1 1 314.473 4.416 20 30 DIEDMO C[N@H+](CCCC1(C#N)CCOCC1)Cc1c(F)cccc1Cl ZINC000282105153 334131376 /nfs/dbraw/zinc/13/13/76/334131376.db2.gz WLOJBWOOVRYRNX-UHFFFAOYSA-N 1 1 324.827 4.011 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1c(F)cccc1Cl ZINC000282105153 334131377 /nfs/dbraw/zinc/13/13/77/334131377.db2.gz WLOJBWOOVRYRNX-UHFFFAOYSA-N 1 1 324.827 4.011 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562532 334199166 /nfs/dbraw/zinc/19/91/66/334199166.db2.gz MGGZYVUIHDSKOP-INWMFGNUSA-N 1 1 306.862 4.199 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)C1 ZINC000293758811 334202010 /nfs/dbraw/zinc/20/20/10/334202010.db2.gz JSQIHPMYIORQBW-OAGGEKHMSA-N 1 1 318.848 4.123 20 30 DIEDMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000298360804 334248000 /nfs/dbraw/zinc/24/80/00/334248000.db2.gz FZCHTENOUHBGIF-SJORKVTESA-N 1 1 324.472 4.489 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1C ZINC000303048480 334301381 /nfs/dbraw/zinc/30/13/81/334301381.db2.gz RBDZFTHNRSNUML-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)C2CC2)cc1C ZINC000303048480 334301382 /nfs/dbraw/zinc/30/13/82/334301382.db2.gz RBDZFTHNRSNUML-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840188 334336349 /nfs/dbraw/zinc/33/63/49/334336349.db2.gz BMDOMZAZHWGDJZ-RBUKOAKNSA-N 1 1 312.457 4.118 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840182 334336359 /nfs/dbraw/zinc/33/63/59/334336359.db2.gz BMDOMZAZHWGDJZ-MOPGFXCFSA-N 1 1 312.457 4.118 20 30 DIEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000121280737 334343744 /nfs/dbraw/zinc/34/37/44/334343744.db2.gz YVDIFFPMPUMMJA-SECBINFHSA-N 1 1 312.200 4.222 20 30 DIEDMO C=CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000121280737 334343746 /nfs/dbraw/zinc/34/37/46/334343746.db2.gz YVDIFFPMPUMMJA-SECBINFHSA-N 1 1 312.200 4.222 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1C ZINC000303938861 334346488 /nfs/dbraw/zinc/34/64/88/334346488.db2.gz YFWLOACCVKBRKF-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccc(F)cc2C#N)C2CC2)cc1C ZINC000303938861 334346489 /nfs/dbraw/zinc/34/64/89/334346489.db2.gz YFWLOACCVKBRKF-UHFFFAOYSA-N 1 1 308.400 4.479 20 30 DIEDMO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000534964986 334350257 /nfs/dbraw/zinc/35/02/57/334350257.db2.gz HODIGBXHFBAXHD-UHFFFAOYSA-N 1 1 306.743 4.122 20 30 DIEDMO N#Cc1csc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)c1 ZINC000343890066 335203755 /nfs/dbraw/zinc/20/37/55/335203755.db2.gz MKFDRNBGNLMOTN-UHFFFAOYSA-N 1 1 319.842 4.173 20 30 DIEDMO Cc1c2ccccc2oc1[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000520397547 335973276 /nfs/dbraw/zinc/97/32/76/335973276.db2.gz IFYYIRSZFHUMBZ-MAUKXSAKSA-N 1 1 309.413 4.471 20 30 DIEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000330352794 336176040 /nfs/dbraw/zinc/17/60/40/336176040.db2.gz NTLWUXVERJJSPX-AWEZNQCLSA-N 1 1 318.417 4.046 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000532571166 336255930 /nfs/dbraw/zinc/25/59/30/336255930.db2.gz DUOQWEIPILAGBW-INIZCTEOSA-N 1 1 318.461 4.009 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000532571168 336256033 /nfs/dbraw/zinc/25/60/33/336256033.db2.gz DUOQWEIPILAGBW-MRXNPFEDSA-N 1 1 318.461 4.009 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2c(C#N)cnc3ccccc32)C1 ZINC000301372311 336303103 /nfs/dbraw/zinc/30/31/03/336303103.db2.gz PZYNWANLIGXMEM-MRXNPFEDSA-N 1 1 322.456 4.030 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(F)cc2C#N)cc1 ZINC000301747304 336327431 /nfs/dbraw/zinc/32/74/31/336327431.db2.gz QXBFWJHGOYXIAI-CYBMUJFWSA-N 1 1 320.371 4.365 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C)n1-c1ccccc1 ZINC000352985812 336381187 /nfs/dbraw/zinc/38/11/87/336381187.db2.gz LJPWVCWAIPBSPJ-UHFFFAOYSA-N 1 1 321.424 4.004 20 30 DIEDMO C=CCC[C@@H]([NH2+][C@H]1CCOc2ccc(OC)cc21)c1ccco1 ZINC000353670357 336433477 /nfs/dbraw/zinc/43/34/77/336433477.db2.gz GZUUWUPGTQKZIP-DLBZAZTESA-N 1 1 313.397 4.409 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)cs2)s1 ZINC000356350164 336547041 /nfs/dbraw/zinc/54/70/41/336547041.db2.gz SLWILTZYWKKGKM-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc2ccccc2n1)c1ccc(C#N)cc1F ZINC000358431196 336629731 /nfs/dbraw/zinc/62/97/31/336629731.db2.gz IRZZPDXAEVEEQV-CYBMUJFWSA-N 1 1 305.356 4.096 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000374995947 337001189 /nfs/dbraw/zinc/00/11/89/337001189.db2.gz FXZROFDOMZXFPT-UHFFFAOYSA-N 1 1 303.837 4.154 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376506140 337035290 /nfs/dbraw/zinc/03/52/90/337035290.db2.gz JPDVSWLXEWWTIA-OAHLLOKOSA-N 1 1 316.449 4.194 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000376506140 337035291 /nfs/dbraw/zinc/03/52/91/337035291.db2.gz JPDVSWLXEWWTIA-OAHLLOKOSA-N 1 1 316.449 4.194 20 30 DIEDMO C[C@@H]([NH2+]Cc1ncoc1-c1ccccc1)c1cccc(C#N)c1 ZINC000377359214 337051049 /nfs/dbraw/zinc/05/10/49/337051049.db2.gz ROYBELTUYSHJAZ-CQSZACIVSA-N 1 1 303.365 4.064 20 30 DIEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1F ZINC000174265492 337140139 /nfs/dbraw/zinc/14/01/39/337140139.db2.gz LALKIIBXHPQELJ-KRWDZBQOSA-N 1 1 304.315 4.216 20 30 DIEDMO Cc1nc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cs1 ZINC000180334745 337175921 /nfs/dbraw/zinc/17/59/21/337175921.db2.gz MGXOENQFSBRDGG-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000582912756 337216818 /nfs/dbraw/zinc/21/68/18/337216818.db2.gz HTAXKYGSQHALRK-IBGZPJMESA-N 1 1 323.440 4.229 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCO[C@H](CC)C1 ZINC000582991693 337223138 /nfs/dbraw/zinc/22/31/38/337223138.db2.gz AVKRUKCGTKEOEL-IEBWSBKVSA-N 1 1 319.493 4.047 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C(C1CC1)C1CC1 ZINC000583725169 337318443 /nfs/dbraw/zinc/31/84/43/337318443.db2.gz WYSGDCONFAETQQ-UHFFFAOYSA-N 1 1 308.347 4.197 20 30 DIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)c1 ZINC000120642002 337395927 /nfs/dbraw/zinc/39/59/27/337395927.db2.gz NVDQBMINOGMSQC-QGZVFWFLSA-N 1 1 316.445 4.171 20 30 DIEDMO C=C1CC[NH+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC1 ZINC000532961474 337804518 /nfs/dbraw/zinc/80/45/18/337804518.db2.gz NMIQRZHOECFZJI-UHFFFAOYSA-N 1 1 306.409 4.091 20 30 DIEDMO C=CC1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000533287029 337838696 /nfs/dbraw/zinc/83/86/96/337838696.db2.gz FXSJANBIYUQSND-UHFFFAOYSA-N 1 1 310.228 4.039 20 30 DIEDMO Cc1cc([C@H]([NH2+]Cc2ccc(F)cc2C#N)C2CC2)ccc1F ZINC000537218866 337924979 /nfs/dbraw/zinc/92/49/79/337924979.db2.gz HBKIIUMSSVLAIP-LJQANCHMSA-N 1 1 312.363 4.386 20 30 DIEDMO CC(C)(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1 ZINC000515924653 338001305 /nfs/dbraw/zinc/00/13/05/338001305.db2.gz LBEJFKKYOZSLAR-OAHLLOKOSA-N 1 1 303.406 4.031 20 30 DIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516185953 338006156 /nfs/dbraw/zinc/00/61/56/338006156.db2.gz RWDKKQNSPKVDMO-SFHVURJKSA-N 1 1 321.380 4.112 20 30 DIEDMO COc1cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)ccc1C#N ZINC000516215064 338007554 /nfs/dbraw/zinc/00/75/54/338007554.db2.gz DNADCCGABQBIAJ-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)ccc1C#N ZINC000516215064 338007555 /nfs/dbraw/zinc/00/75/55/338007555.db2.gz DNADCCGABQBIAJ-KRWDZBQOSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)ccc1C#N ZINC000516215065 338007658 /nfs/dbraw/zinc/00/76/58/338007658.db2.gz DNADCCGABQBIAJ-QGZVFWFLSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)ccc1C#N ZINC000516215065 338007659 /nfs/dbraw/zinc/00/76/59/338007659.db2.gz DNADCCGABQBIAJ-QGZVFWFLSA-N 1 1 312.438 4.211 20 30 DIEDMO CC[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc(C#N)cc1 ZINC000425949387 338019263 /nfs/dbraw/zinc/01/92/63/338019263.db2.gz FVEIKQJJDZBBHP-IBGZPJMESA-N 1 1 317.392 4.454 20 30 DIEDMO Cc1occc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426375846 338029433 /nfs/dbraw/zinc/02/94/33/338029433.db2.gz AXZVMDGSXBAMOS-UHFFFAOYSA-N 1 1 307.315 4.090 20 30 DIEDMO Cc1occc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426375846 338029434 /nfs/dbraw/zinc/02/94/34/338029434.db2.gz AXZVMDGSXBAMOS-UHFFFAOYSA-N 1 1 307.315 4.090 20 30 DIEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000426383914 338029930 /nfs/dbraw/zinc/02/99/30/338029930.db2.gz DBGOEPGJALDQMH-UHFFFAOYSA-N 1 1 309.356 4.250 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cccs1 ZINC000426383914 338029931 /nfs/dbraw/zinc/02/99/31/338029931.db2.gz DBGOEPGJALDQMH-UHFFFAOYSA-N 1 1 309.356 4.250 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)CCCC2 ZINC000428305558 338046586 /nfs/dbraw/zinc/04/65/86/338046586.db2.gz KZQRICYONNNRNY-CQSZACIVSA-N 1 1 308.400 4.427 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(N2CCCC2)c1 ZINC000428354208 338048469 /nfs/dbraw/zinc/04/84/69/338048469.db2.gz YCRLLFORXSSPKF-OAHLLOKOSA-N 1 1 323.415 4.148 20 30 DIEDMO C=CC[N@H+](C)Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000428371686 338049186 /nfs/dbraw/zinc/04/91/86/338049186.db2.gz GRTOQJWWOMJQSW-UHFFFAOYSA-N 1 1 314.816 4.210 20 30 DIEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]32)ccc1OC ZINC000428457326 338052902 /nfs/dbraw/zinc/05/29/02/338052902.db2.gz WQTGNZLIAAQUKB-SJORKVTESA-N 1 1 301.430 4.025 20 30 DIEDMO Oc1ccc(C2=CC[N@H+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000448450123 338061030 /nfs/dbraw/zinc/06/10/30/338061030.db2.gz ZDJHYYYSEDSZMH-UHFFFAOYSA-N 1 1 323.823 4.186 20 30 DIEDMO Oc1ccc(C2=CC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)cc1 ZINC000448450123 338061031 /nfs/dbraw/zinc/06/10/31/338061031.db2.gz ZDJHYYYSEDSZMH-UHFFFAOYSA-N 1 1 323.823 4.186 20 30 DIEDMO CSc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428939682 338065745 /nfs/dbraw/zinc/06/57/45/338065745.db2.gz NUMCACUXMSHNTR-LBPRGKRZSA-N 1 1 300.402 4.270 20 30 DIEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000429265614 338075272 /nfs/dbraw/zinc/07/52/72/338075272.db2.gz GPGUJAHDESIOOR-UHFFFAOYSA-N 1 1 308.425 4.082 20 30 DIEDMO Cc1ccoc1C[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429362405 338078548 /nfs/dbraw/zinc/07/85/48/338078548.db2.gz NJLVBFJVIHSHJB-UHFFFAOYSA-N 1 1 307.315 4.090 20 30 DIEDMO Cc1ccoc1C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429362405 338078549 /nfs/dbraw/zinc/07/85/49/338078549.db2.gz NJLVBFJVIHSHJB-UHFFFAOYSA-N 1 1 307.315 4.090 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000430098685 338096362 /nfs/dbraw/zinc/09/63/62/338096362.db2.gz WNWPGDWCPVYXQS-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)c1 ZINC000430098685 338096363 /nfs/dbraw/zinc/09/63/63/338096363.db2.gz WNWPGDWCPVYXQS-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430271366 338103898 /nfs/dbraw/zinc/10/38/98/338103898.db2.gz GGJBWUJBSADWNY-UHFFFAOYSA-N 1 1 303.837 4.042 20 30 DIEDMO C[N@@H+](CCS[C@H](C#N)C1CCCCC1)Cc1ccccc1 ZINC000433018588 338176474 /nfs/dbraw/zinc/17/64/74/338176474.db2.gz FFKCEGVBJPPZAI-GOSISDBHSA-N 1 1 302.487 4.324 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1 ZINC000433182647 338184554 /nfs/dbraw/zinc/18/45/54/338184554.db2.gz OIZKPSAEVIJSBB-UHFFFAOYSA-N 1 1 323.770 4.473 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)cc1F ZINC000433296787 338189938 /nfs/dbraw/zinc/18/99/38/338189938.db2.gz JJCXSVJMAXDWKQ-INIZCTEOSA-N 1 1 314.791 4.340 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000434662985 338222705 /nfs/dbraw/zinc/22/27/05/338222705.db2.gz DMCFWOQDQGICKI-UHFFFAOYSA-N 1 1 302.487 4.205 20 30 DIEDMO C[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291070 338266552 /nfs/dbraw/zinc/26/65/52/338266552.db2.gz KPHDBFQKXCKRTF-JXFKEZNVSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291070 338266553 /nfs/dbraw/zinc/26/65/53/338266553.db2.gz KPHDBFQKXCKRTF-JXFKEZNVSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437402589 338309127 /nfs/dbraw/zinc/30/91/27/338309127.db2.gz HIJJGLXIISKHMC-LLVKDONJSA-N 1 1 322.380 4.414 20 30 DIEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000438535493 338347200 /nfs/dbraw/zinc/34/72/00/338347200.db2.gz YUIZZRHIUVKMBJ-UHFFFAOYSA-N 1 1 320.436 4.084 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000438607176 338349862 /nfs/dbraw/zinc/34/98/62/338349862.db2.gz MZRMCGZBNUJCNR-IBGZPJMESA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439434384 338369185 /nfs/dbraw/zinc/36/91/85/338369185.db2.gz SGMGGMBCYJHADJ-UHFFFAOYSA-N 1 1 314.816 4.245 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccc(F)cc1F ZINC000439453627 338369975 /nfs/dbraw/zinc/36/99/75/338369975.db2.gz QBJLUFKNTMXZNE-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454226 338370005 /nfs/dbraw/zinc/37/00/05/338370005.db2.gz RJZVKWDVPXNHSP-HUUCEWRRSA-N 1 1 308.878 4.318 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c(Cl)c1 ZINC000439458479 338370112 /nfs/dbraw/zinc/37/01/12/338370112.db2.gz DODIHHVHHBLLQW-KRWDZBQOSA-N 1 1 318.848 4.135 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439457018 338370154 /nfs/dbraw/zinc/37/01/54/338370154.db2.gz PLWFQBGPDHWFEG-QGZVFWFLSA-N 1 1 313.832 4.402 20 30 DIEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439467229 338370550 /nfs/dbraw/zinc/37/05/50/338370550.db2.gz 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C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464741294 339150804 /nfs/dbraw/zinc/15/08/04/339150804.db2.gz SUQVFMLHFQKION-KXBFYZLASA-N 1 1 324.399 4.159 20 30 DIEDMO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@H](c2ccco2)C1 ZINC000464852788 339158019 /nfs/dbraw/zinc/15/80/19/339158019.db2.gz CDWRZERSECOBRZ-RDJZCZTQSA-N 1 1 310.397 4.003 20 30 DIEDMO C=C[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000465179488 339171014 /nfs/dbraw/zinc/17/10/14/339171014.db2.gz QKYSGQYWTSJLOJ-OAHLLOKOSA-N 1 1 315.461 4.147 20 30 DIEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000467271913 339229561 /nfs/dbraw/zinc/22/95/61/339229561.db2.gz VKWMPCWSMAWOIP-KRWDZBQOSA-N 1 1 314.473 4.126 20 30 DIEDMO C=CCC[N@@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000467284155 339229804 /nfs/dbraw/zinc/22/98/04/339229804.db2.gz OKGHRSGXRWFZMF-UHFFFAOYSA-N 1 1 322.861 4.383 20 30 DIEDMO C=CCC[N@H+](C)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000467284155 339229805 /nfs/dbraw/zinc/22/98/05/339229805.db2.gz 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COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000469303906 339285547 /nfs/dbraw/zinc/28/55/47/339285547.db2.gz JPAKGWRYSFAUSW-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2C#N)c1 ZINC000469303906 339285548 /nfs/dbraw/zinc/28/55/48/339285548.db2.gz JPAKGWRYSFAUSW-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469454550 339290076 /nfs/dbraw/zinc/29/00/76/339290076.db2.gz LKBQTTFOCYOECE-MRXNPFEDSA-N 1 1 312.363 4.020 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCc2cccnc21 ZINC000469790033 339300104 /nfs/dbraw/zinc/30/01/04/339300104.db2.gz HYMOKQLKQOMASV-HXUWFJFHSA-N 1 1 319.452 4.489 20 30 DIEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCC#N)CC(C)(C)C ZINC000470175131 339312840 /nfs/dbraw/zinc/31/28/40/339312840.db2.gz PEUVNXLWBYMVKU-RVDMUPIBSA-N 1 1 315.417 4.260 20 30 DIEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](CCC#N)CC(C)(C)C ZINC000470175131 339312841 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C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744727 339376747 /nfs/dbraw/zinc/37/67/47/339376747.db2.gz DBZLJBRCUWIMMR-DOMZBBRYSA-N 1 1 301.352 4.025 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000472744732 339376795 /nfs/dbraw/zinc/37/67/95/339376795.db2.gz DBZLJBRCUWIMMR-IUODEOHRSA-N 1 1 301.352 4.025 20 30 DIEDMO COc1cccc(C=C2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000483938558 339678355 /nfs/dbraw/zinc/67/83/55/339678355.db2.gz BVQSPIRGIDSZLH-UHFFFAOYSA-N 1 1 317.432 4.226 20 30 DIEDMO N#Cc1csc(C[NH+]2CCC(c3c(F)cccc3F)CC2)c1 ZINC000485727640 339711596 /nfs/dbraw/zinc/71/15/96/339711596.db2.gz UECZQPDUIHBRPY-UHFFFAOYSA-N 1 1 318.392 4.278 20 30 DIEDMO CCCC1CCC([N@@H+](C)CCCC2(C#N)CCOCC2)CC1 ZINC000499730056 340043601 /nfs/dbraw/zinc/04/36/01/340043601.db2.gz ATOCIQCEPAVXAT-UHFFFAOYSA-N 1 1 306.494 4.378 20 30 DIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(F)cc1C#N ZINC000500159290 340051675 /nfs/dbraw/zinc/05/16/75/340051675.db2.gz AFNVBLTYFWVOCT-UHFFFAOYSA-N 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C=CCc1cc(C[N@@H+](C)Cc2ccccc2C)cc(OC)c1O ZINC000505600898 340172370 /nfs/dbraw/zinc/17/23/70/340172370.db2.gz BBADKQUVXASHFH-UHFFFAOYSA-N 1 1 311.425 4.070 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OCC)c1 ZINC000506018025 340183513 /nfs/dbraw/zinc/18/35/13/340183513.db2.gz WUBOOCPTYOTKGA-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO C[C@@H](c1ccccc1Br)[NH+]1CCC(C)(C#N)CC1 ZINC000506032155 340183918 /nfs/dbraw/zinc/18/39/18/340183918.db2.gz PCQUHAASJXOGPJ-LBPRGKRZSA-N 1 1 307.235 4.136 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)Cc2cccc(C)c2)cc(OC)c1O ZINC000506203066 340188450 /nfs/dbraw/zinc/18/84/50/340188450.db2.gz JNCHKDNJCHLGIY-UHFFFAOYSA-N 1 1 311.425 4.070 20 30 DIEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H](C)Cc1ccc(OC)cc1 ZINC000506414420 340194258 /nfs/dbraw/zinc/19/42/58/340194258.db2.gz DTKRUYVQHHDHDU-CQSZACIVSA-N 1 1 314.454 4.081 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000506545063 340196530 /nfs/dbraw/zinc/19/65/30/340196530.db2.gz IFOAMJXGZLSJGH-CTNGQTDRSA-N 1 1 302.421 4.326 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccccc1-c1ccnn1C ZINC000507014465 340205448 /nfs/dbraw/zinc/20/54/48/340205448.db2.gz WHLBTSBPDUAEIQ-UHFFFAOYSA-N 1 1 323.465 4.337 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2conc2C)C(C)(C)C)cc1 ZINC000507022417 340205693 /nfs/dbraw/zinc/20/56/93/340205693.db2.gz RMNRKOKNWOGZOI-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](CCCC#N)Cc1ccccc1 ZINC000507220311 340214114 /nfs/dbraw/zinc/21/41/14/340214114.db2.gz VKSQJBKBOYUMHX-GOSISDBHSA-N 1 1 322.452 4.432 20 30 DIEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c(C)c1 ZINC000507225623 340214445 /nfs/dbraw/zinc/21/44/45/340214445.db2.gz ALYWWVCTOKINTE-INIZCTEOSA-N 1 1 318.424 4.016 20 30 DIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507377483 340218358 /nfs/dbraw/zinc/21/83/58/340218358.db2.gz WVFJBNAXPXYACK-LLVKDONJSA-N 1 1 308.303 4.363 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C#N ZINC000507716460 340229402 /nfs/dbraw/zinc/22/94/02/340229402.db2.gz HLEKJUSDESGZCP-UHFFFAOYSA-N 1 1 303.409 4.088 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@H+](CCC#N)CC(C)(C)C ZINC000508226867 340241060 /nfs/dbraw/zinc/24/10/60/340241060.db2.gz ZKHMEYDDSIRQGD-LGMDPLHJSA-N 1 1 314.473 4.498 20 30 DIEDMO COCc1ccccc1/C=C(/C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000508226867 340241061 /nfs/dbraw/zinc/24/10/61/340241061.db2.gz ZKHMEYDDSIRQGD-LGMDPLHJSA-N 1 1 314.473 4.498 20 30 DIEDMO COCC[N@@H+](C/C(C)=C/c1ccccc1)Cc1ccc(C#N)cc1 ZINC000508566328 340246703 /nfs/dbraw/zinc/24/67/03/340246703.db2.gz FIXZMGRJKBLDOY-NBVRZTHBSA-N 1 1 320.436 4.110 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508600907 340247468 /nfs/dbraw/zinc/24/74/68/340247468.db2.gz RQMUEQNIGIYUTN-INIZCTEOSA-N 1 1 303.409 4.403 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508603982 340247707 /nfs/dbraw/zinc/24/77/07/340247707.db2.gz KWYNNOTYNOEXCW-HNNXBMFYSA-N 1 1 323.396 4.358 20 30 DIEDMO CCC[N@@H+](Cc1sccc1OC)Cc1ccc(C#N)cc1 ZINC000508608550 340247973 /nfs/dbraw/zinc/24/79/73/340247973.db2.gz KLPPLGXYBMYHEV-UHFFFAOYSA-N 1 1 300.427 4.041 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000508625222 340248699 /nfs/dbraw/zinc/24/86/99/340248699.db2.gz JYJBJHWEWYQTCJ-UHFFFAOYSA-N 1 1 318.420 4.246 20 30 DIEDMO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OCC(C)C ZINC000509798802 340279318 /nfs/dbraw/zinc/27/93/18/340279318.db2.gz JVJCBYNOEJYZNU-INIZCTEOSA-N 1 1 318.461 4.102 20 30 DIEDMO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OCC(C)C ZINC000509798802 340279319 /nfs/dbraw/zinc/27/93/19/340279319.db2.gz JVJCBYNOEJYZNU-INIZCTEOSA-N 1 1 318.461 4.102 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000303167365 340308070 /nfs/dbraw/zinc/30/80/70/340308070.db2.gz IEGNBCKBKHSVLB-KRWDZBQOSA-N 1 1 308.400 4.467 20 30 DIEDMO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000303184307 340310751 /nfs/dbraw/zinc/31/07/51/340310751.db2.gz KXGYTJMXAPDFOD-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(F)cc1C#N ZINC000303184307 340310752 /nfs/dbraw/zinc/31/07/52/340310752.db2.gz KXGYTJMXAPDFOD-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000303552588 340333358 /nfs/dbraw/zinc/33/33/58/340333358.db2.gz HGNGBZFCLVZQHA-HXUWFJFHSA-N 1 1 308.400 4.213 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1OC ZINC000511875316 340341379 /nfs/dbraw/zinc/34/13/79/340341379.db2.gz RTOAJQLNQXOLEQ-DLBZAZTESA-N 1 1 301.430 4.025 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OCC)c1 ZINC000512036773 340346293 /nfs/dbraw/zinc/34/62/93/340346293.db2.gz LSYSGOOFSXUMQU-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO C=CC[N@H+](C/C=C/c1ccccc1OC)Cc1cccc(C#N)c1 ZINC000512067343 340347329 /nfs/dbraw/zinc/34/73/29/340347329.db2.gz LEVVJYISFWJEKN-YRNVUSSQSA-N 1 1 318.420 4.268 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1F ZINC000512151024 340349962 /nfs/dbraw/zinc/34/99/62/340349962.db2.gz BGGWSALXVBENCJ-AWEZNQCLSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccc1F ZINC000512151024 340349963 /nfs/dbraw/zinc/34/99/63/340349963.db2.gz BGGWSALXVBENCJ-AWEZNQCLSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](CC)c1ccc(F)cc1 ZINC000512164465 340350371 /nfs/dbraw/zinc/35/03/71/340350371.db2.gz CPYWRNWGOAANLI-IBGZPJMESA-N 1 1 317.404 4.440 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000512202790 340352237 /nfs/dbraw/zinc/35/22/37/340352237.db2.gz LLUIIPIZOJBUOQ-ZDUSSCGKSA-N 1 1 321.367 4.189 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(F)c(F)c1 ZINC000512202790 340352238 /nfs/dbraw/zinc/35/22/38/340352238.db2.gz LLUIIPIZOJBUOQ-ZDUSSCGKSA-N 1 1 321.367 4.189 20 30 DIEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449008 340362335 /nfs/dbraw/zinc/36/23/35/340362335.db2.gz ANIGDTQODJPIJV-SJLPKXTDSA-N 1 1 314.473 4.003 20 30 DIEDMO CC[N@@H+](CCC(=O)c1ccc(F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512449048 340362439 /nfs/dbraw/zinc/36/24/39/340362439.db2.gz AZKPXWJSRGEDPX-HNNXBMFYSA-N 1 1 324.399 4.353 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1F)Cc1cccc2ccccc21 ZINC000512481403 340363358 /nfs/dbraw/zinc/36/33/58/340363358.db2.gz UJNFNQHFJUEIJN-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1F ZINC000512479772 340363411 /nfs/dbraw/zinc/36/34/11/340363411.db2.gz IXGSZCRCUYJPCP-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1ccc(C#N)cc1F ZINC000512619146 340369401 /nfs/dbraw/zinc/36/94/01/340369401.db2.gz LDZSLMSMDXCDPO-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000512624042 340369626 /nfs/dbraw/zinc/36/96/26/340369626.db2.gz HLOPRGLBZBJQDM-VXGBXAGGSA-N 1 1 313.332 4.017 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512642784 340370580 /nfs/dbraw/zinc/37/05/80/340370580.db2.gz SNTPRWDVDSVBTQ-AWEZNQCLSA-N 1 1 310.372 4.113 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1F ZINC000512654933 340371280 /nfs/dbraw/zinc/37/12/80/340371280.db2.gz PYCUDKAIULQLSM-GHMZBOCLSA-N 1 1 304.315 4.387 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1OC(F)(F)F ZINC000174815545 340396699 /nfs/dbraw/zinc/39/66/99/340396699.db2.gz XSHDOMRPMFNXGY-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000174868065 340397972 /nfs/dbraw/zinc/39/79/72/340397972.db2.gz MLBKRRSQKFINRG-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000523017840 340613707 /nfs/dbraw/zinc/61/37/07/340613707.db2.gz LEMKNUBILXDAJH-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000539608988 340892481 /nfs/dbraw/zinc/89/24/81/340892481.db2.gz GXUWFFNATJEBPB-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000540365403 340928641 /nfs/dbraw/zinc/92/86/41/340928641.db2.gz MSMVJTFGKKJXRO-CYBMUJFWSA-N 1 1 317.791 4.190 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000542210353 341000193 /nfs/dbraw/zinc/00/01/93/341000193.db2.gz ORXVJPSKYUBBQS-UHFFFAOYSA-N 1 1 303.409 4.037 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000542210162 341000210 /nfs/dbraw/zinc/00/02/10/341000210.db2.gz PRGXBJMWHZJCSE-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO N#CCc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000542209992 341000262 /nfs/dbraw/zinc/00/02/62/341000262.db2.gz RGGMPZHQMMTEGM-NRFANRHFSA-N 1 1 302.421 4.405 20 30 DIEDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211926 341000413 /nfs/dbraw/zinc/00/04/13/341000413.db2.gz XPTBFJPOKCHTSD-UHFFFAOYSA-N 1 1 314.816 4.047 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276945 341003016 /nfs/dbraw/zinc/00/30/16/341003016.db2.gz FIPWFJWUDBADGJ-YWZLYKJASA-N 1 1 308.400 4.475 20 30 DIEDMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC#N)CC1 ZINC000542879507 341024876 /nfs/dbraw/zinc/02/48/76/341024876.db2.gz NHGIYCDFCQPOIB-GFCCVEGCSA-N 1 1 318.371 4.118 20 30 DIEDMO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(CC#N)CC1 ZINC000542879515 341024901 /nfs/dbraw/zinc/02/49/01/341024901.db2.gz NHGIYCDFCQPOIB-LBPRGKRZSA-N 1 1 318.371 4.118 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000130559222 341028260 /nfs/dbraw/zinc/02/82/60/341028260.db2.gz ZHEDLWJMKZSTAO-IBGZPJMESA-N 1 1 316.408 4.211 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1 ZINC000130559446 341028308 /nfs/dbraw/zinc/02/83/08/341028308.db2.gz ZHEDLWJMKZSTAO-LJQANCHMSA-N 1 1 316.408 4.211 20 30 DIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1cccc(OC)c1 ZINC000543139010 341033606 /nfs/dbraw/zinc/03/36/06/341033606.db2.gz JEHRTMYWDIMOKX-INIZCTEOSA-N 1 1 308.425 4.344 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCC(C)(C)C#N)c1 ZINC000543172997 341035089 /nfs/dbraw/zinc/03/50/89/341035089.db2.gz YKOIUTMLJWJHIE-CRAIPNDOSA-N 1 1 300.446 4.408 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172739 341035134 /nfs/dbraw/zinc/03/51/34/341035134.db2.gz LVSKEYFBOYOWOZ-VLIAUNLRSA-N 1 1 324.399 4.289 20 30 DIEDMO N#CCC[N@H+](CCCc1ccccc1Br)CC1CC1 ZINC000543207901 341036960 /nfs/dbraw/zinc/03/69/60/341036960.db2.gz MDHTZOGKPKIVHL-UHFFFAOYSA-N 1 1 321.262 4.007 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC(C)(C)CCC#N)c1 ZINC000543412972 341042778 /nfs/dbraw/zinc/04/27/78/341042778.db2.gz RZDBTWQZCQZEHP-QAPCUYQASA-N 1 1 300.446 4.408 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC(C)(C)CCC#N)c1 ZINC000543412970 341042885 /nfs/dbraw/zinc/04/28/85/341042885.db2.gz RZDBTWQZCQZEHP-CRAIPNDOSA-N 1 1 300.446 4.408 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413880 341042968 /nfs/dbraw/zinc/04/29/68/341042968.db2.gz CSPHOYQVABXUKH-UHFFFAOYSA-N 1 1 318.420 4.288 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-c2cccnc2)c1 ZINC000131176853 341063816 /nfs/dbraw/zinc/06/38/16/341063816.db2.gz WIZFWPABHRYJBR-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367271 341078368 /nfs/dbraw/zinc/07/83/68/341078368.db2.gz UTOGDPKSNQAEQA-FZKQIMNGSA-N 1 1 312.438 4.211 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)CCCC2 ZINC000546225428 341157898 /nfs/dbraw/zinc/15/78/98/341157898.db2.gz NUWBXFXPEGFXMW-AWEZNQCLSA-N 1 1 308.400 4.427 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000075638577 341180108 /nfs/dbraw/zinc/18/01/08/341180108.db2.gz HOKSTGIPEVSECU-UHFFFAOYSA-N 1 1 318.376 4.059 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000075638577 341180109 /nfs/dbraw/zinc/18/01/09/341180109.db2.gz HOKSTGIPEVSECU-UHFFFAOYSA-N 1 1 318.376 4.059 20 30 DIEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccc(CC#N)cc1 ZINC000546779034 341182247 /nfs/dbraw/zinc/18/22/47/341182247.db2.gz VEZGDIMIKKRHEY-UHFFFAOYSA-N 1 1 321.468 4.323 20 30 DIEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1C#N ZINC000134985759 341228002 /nfs/dbraw/zinc/22/80/02/341228002.db2.gz WKPCERHPHIPCAQ-LJQANCHMSA-N 1 1 321.424 4.079 20 30 DIEDMO Clc1ccccc1C#CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000135017102 341228846 /nfs/dbraw/zinc/22/88/46/341228846.db2.gz HOFSNWMSKVZQSU-UHFFFAOYSA-N 1 1 317.860 4.115 20 30 DIEDMO CC[C@@](C)([NH2+]CC#Cc1ccccc1Cl)c1nccs1 ZINC000135197729 341233037 /nfs/dbraw/zinc/23/30/37/341233037.db2.gz JDXFNYQMBYESCN-MRXNPFEDSA-N 1 1 304.846 4.063 20 30 DIEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135285715 341235441 /nfs/dbraw/zinc/23/54/41/341235441.db2.gz OJGIXXPSCFWRAA-UHFFFAOYSA-N 1 1 315.848 4.112 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)Cc1ccsc1 ZINC000547974347 341241354 /nfs/dbraw/zinc/24/13/54/341241354.db2.gz PNAPZPYJDRBFMG-ZDUSSCGKSA-N 1 1 302.418 4.212 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](C)Cc1ccsc1 ZINC000547974346 341241429 /nfs/dbraw/zinc/24/14/29/341241429.db2.gz PNAPZPYJDRBFMG-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO C=CC1CC[NH+]([C@H](C)c2nnc(-c3ccccc3F)s2)CC1 ZINC000548918566 341281010 /nfs/dbraw/zinc/28/10/10/341281010.db2.gz FABKUOYUPFJABG-GFCCVEGCSA-N 1 1 317.433 4.303 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549077878 341285503 /nfs/dbraw/zinc/28/55/03/341285503.db2.gz HGLXLKDFDMVZES-KUHUBIRLSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549077878 341285504 /nfs/dbraw/zinc/28/55/04/341285504.db2.gz HGLXLKDFDMVZES-KUHUBIRLSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000549173285 341287936 /nfs/dbraw/zinc/28/79/36/341287936.db2.gz MSIVVZDLYPUKNQ-JTQLQIEISA-N 1 1 306.196 4.111 20 30 DIEDMO N#CC(CC[N@@H+]1CCC[C@H]1CF)(c1ccccc1)c1ccccc1 ZINC000550029744 341308929 /nfs/dbraw/zinc/30/89/29/341308929.db2.gz VZTXBRPGYNAHTO-FQEVSTJZSA-N 1 1 322.427 4.320 20 30 DIEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000552076299 341367906 /nfs/dbraw/zinc/36/79/06/341367906.db2.gz FWSYAORETROMKX-LPHOPBHVSA-N 1 1 322.456 4.084 20 30 DIEDMO COc1cccc(C2([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)c1 ZINC000552320969 341386285 /nfs/dbraw/zinc/38/62/85/341386285.db2.gz IJWDPNVVVJOWGQ-ZDUSSCGKSA-N 1 1 310.372 4.046 20 30 DIEDMO CSc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000552326041 341386690 /nfs/dbraw/zinc/38/66/90/341386690.db2.gz GDKFTFUEUACILT-NSHDSACASA-N 1 1 318.392 4.409 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000552586428 341399838 /nfs/dbraw/zinc/39/98/38/341399838.db2.gz HAFGKANXQKUYOP-SFHVURJKSA-N 1 1 308.400 4.152 20 30 DIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)s1)CCC2 ZINC000180031593 522478770 /nfs/dbraw/zinc/47/87/70/522478770.db2.gz ASOQUVAXJUOXQA-CQSZACIVSA-N 1 1 317.483 4.148 20 30 DIEDMO C=C(C)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618083651 1056921240 /nfs/dbraw/zinc/92/12/40/1056921240.db2.gz AMSVIBWOJUNKLL-OAHLLOKOSA-N 1 1 308.263 4.280 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cncc(Br)c2)CCCC1(C)C ZINC001307728870 1065588295 /nfs/dbraw/zinc/58/82/95/1065588295.db2.gz 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C=CCCCCCCC[N@H+]1CCC[C@]2(CCN(CC=C)C2=O)C1 ZINC001209442096 1036188971 /nfs/dbraw/zinc/18/89/71/1036188971.db2.gz TYJCLPNUJIBPIX-FQEVSTJZSA-N 1 1 318.505 4.014 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC001167164076 1036232157 /nfs/dbraw/zinc/23/21/57/1036232157.db2.gz NFTQSVIPWUVWIO-NRFANRHFSA-N 1 1 304.437 4.328 20 30 DIEDMO CCC[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H](CC)c1ccccc1 ZINC001167219015 1036281861 /nfs/dbraw/zinc/28/18/61/1036281861.db2.gz UXISYFOLADONTI-RTWAWAEBSA-N 1 1 322.452 4.455 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001167261826 1036343540 /nfs/dbraw/zinc/34/35/40/1036343540.db2.gz MDSWVVRIJGLJHP-CYBMUJFWSA-N 1 1 323.358 4.200 20 30 DIEDMO CCCCCCCCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC001167267645 1036351326 /nfs/dbraw/zinc/35/13/26/1036351326.db2.gz GYZMYZPNZHDPID-LJQANCHMSA-N 1 1 316.489 4.300 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)c1 ZINC000610271696 1036407530 /nfs/dbraw/zinc/40/75/30/1036407530.db2.gz 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DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1OC(F)F ZINC000177858066 1037348722 /nfs/dbraw/zinc/34/87/22/1037348722.db2.gz UXBQTBRFBGZXRX-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnc2ccsc2c1 ZINC000177860262 1037374827 /nfs/dbraw/zinc/37/48/27/1037374827.db2.gz QUIJBIQCMZDTTC-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO Cc1csc(C[C@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)n1 ZINC000933127131 1037513464 /nfs/dbraw/zinc/51/34/64/1037513464.db2.gz WFJQWXABGKTWSX-MRXNPFEDSA-N 1 1 317.502 4.180 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001167461727 1037635760 /nfs/dbraw/zinc/63/57/60/1037635760.db2.gz QFQYFAPXPBQELG-SFHVURJKSA-N 1 1 302.462 4.390 20 30 DIEDMO COc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C ZINC001167464374 1037657296 /nfs/dbraw/zinc/65/72/96/1037657296.db2.gz KUPBRWNRUIGPQB-PMACEKPBSA-N 1 1 320.436 4.275 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001167464485 1037657534 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C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000602470701 1038015493 /nfs/dbraw/zinc/01/54/93/1038015493.db2.gz CPLPPQAOXYDZPE-KEYYUXOJSA-N 1 1 306.837 4.042 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000602470701 1038015514 /nfs/dbraw/zinc/01/55/14/1038015514.db2.gz CPLPPQAOXYDZPE-KEYYUXOJSA-N 1 1 306.837 4.042 20 30 DIEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCC(C)(C)C#N ZINC000581862662 1038037914 /nfs/dbraw/zinc/03/79/14/1038037914.db2.gz RMRHFBLFCZVFSK-HNNXBMFYSA-N 1 1 319.880 4.180 20 30 DIEDMO C[C@H](CCC#N)C[N@@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000602627228 1038059298 /nfs/dbraw/zinc/05/92/98/1038059298.db2.gz UUEOHASPMRYSJD-CKEIUWERSA-N 1 1 306.837 4.042 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2cccc(Cl)c2)OC[C@H]1C ZINC000602627228 1038059319 /nfs/dbraw/zinc/05/93/19/1038059319.db2.gz UUEOHASPMRYSJD-CKEIUWERSA-N 1 1 306.837 4.042 20 30 DIEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCCC1 ZINC000602699126 1038071125 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C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598592550 1038129034 /nfs/dbraw/zinc/12/90/34/1038129034.db2.gz MBMNWAVXAYVQJR-QFBILLFUSA-N 1 1 314.473 4.150 20 30 DIEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000598619140 1038135389 /nfs/dbraw/zinc/13/53/89/1038135389.db2.gz BLLPENVCLDJMFO-DLBZAZTESA-N 1 1 320.864 4.168 20 30 DIEDMO CC(C)c1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c2ccccn21 ZINC000593600804 1038158374 /nfs/dbraw/zinc/15/83/74/1038158374.db2.gz GHJIUECJUKEHJO-HNNXBMFYSA-N 1 1 318.424 4.180 20 30 DIEDMO CC(C)(C#N)C[C@@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000598726146 1038160010 /nfs/dbraw/zinc/16/00/10/1038160010.db2.gz NZVSQNFQFSAJBM-GOSISDBHSA-N 1 1 315.461 4.001 20 30 DIEDMO CC(C)(C#N)C[C@H](O)CNc1ccc([NH2+]CC2CCCC2)cc1 ZINC000598726147 1038160050 /nfs/dbraw/zinc/16/00/50/1038160050.db2.gz NZVSQNFQFSAJBM-SFHVURJKSA-N 1 1 315.461 4.001 20 30 DIEDMO CCOc1ccccc1[C@H](CC)[NH2+]Cc1cccc(C#N)c1F ZINC000341656440 1038208513 /nfs/dbraw/zinc/20/85/13/1038208513.db2.gz IOGDOAPKZWPIDY-KRWDZBQOSA-N 1 1 312.388 4.337 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2scnc21 ZINC000599050131 1038223577 /nfs/dbraw/zinc/22/35/77/1038223577.db2.gz WIDUJXMAIUJSHB-HZPDHXFCSA-N 1 1 309.438 4.059 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000538087575 1038236176 /nfs/dbraw/zinc/23/61/76/1038236176.db2.gz CMSAXFGDQZOOQN-VBQJREDUSA-N 1 1 317.864 4.053 20 30 DIEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1(c3c(F)cccc3F)CCC1)CC2 ZINC000599093762 1038239816 /nfs/dbraw/zinc/23/98/16/1038239816.db2.gz RMRPKAYNZLLXAG-SFHVURJKSA-N 1 1 324.374 4.493 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1ccc(C#N)c(F)c1 ZINC000561770012 1038293039 /nfs/dbraw/zinc/29/30/39/1038293039.db2.gz OOXYRNYMJVCBEL-QWRGUYRKSA-N 1 1 304.315 4.387 20 30 DIEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)C1(F)F ZINC000599515881 1038300090 /nfs/dbraw/zinc/30/00/90/1038300090.db2.gz WXONPPQQULMWMI-OKILXGFUSA-N 1 1 306.400 4.211 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000603890016 1038312605 /nfs/dbraw/zinc/31/26/05/1038312605.db2.gz KRJPRUYTBMNYMB-IBGZPJMESA-N 1 1 315.420 4.419 20 30 DIEDMO C[C@H](c1nc2ccccc2o1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677865 1038332921 /nfs/dbraw/zinc/33/29/21/1038332921.db2.gz QHLJIXUJACJNNU-CQSZACIVSA-N 1 1 317.392 4.013 20 30 DIEDMO C[C@H](c1nc2ccccc2o1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677865 1038332931 /nfs/dbraw/zinc/33/29/31/1038332931.db2.gz QHLJIXUJACJNNU-CQSZACIVSA-N 1 1 317.392 4.013 20 30 DIEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)cc1F ZINC000599677003 1038333098 /nfs/dbraw/zinc/33/30/98/1038333098.db2.gz GEIZEACPENTTFU-KDOFPFPSSA-N 1 1 324.399 4.256 20 30 DIEDMO Cc1cc(C#N)ccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599701289 1038334937 /nfs/dbraw/zinc/33/49/37/1038334937.db2.gz UJHPFKNLOXHTIY-UHFFFAOYSA-N 1 1 312.363 4.314 20 30 DIEDMO COc1ccc([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cc1F ZINC000599679327 1038336343 /nfs/dbraw/zinc/33/63/43/1038336343.db2.gz MYDZEDTZRRRQQJ-INIZCTEOSA-N 1 1 318.436 4.344 20 30 DIEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)cc1F ZINC000599681735 1038337063 /nfs/dbraw/zinc/33/70/63/1038337063.db2.gz ZRPPIVCOHHNZPW-KBXCAEBGSA-N 1 1 324.399 4.256 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnc(C4CC4)s3)CC2)cc1 ZINC000535840868 1038391297 /nfs/dbraw/zinc/39/12/97/1038391297.db2.gz GSVVJUFSXUHLEQ-UHFFFAOYSA-N 1 1 321.449 4.181 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000150891649 1038418297 /nfs/dbraw/zinc/41/82/97/1038418297.db2.gz ARMWCLKFLWHQDA-UHFFFAOYSA-N 1 1 302.462 4.174 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993980 1038421206 /nfs/dbraw/zinc/42/12/06/1038421206.db2.gz PNVPAIPWKXNTKL-KBPBESRZSA-N 1 1 313.832 4.231 20 30 DIEDMO CCCC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000610992147 1038422191 /nfs/dbraw/zinc/42/21/91/1038422191.db2.gz FBFKIEDWVASPDR-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO CCCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1Cl ZINC000610992147 1038422195 /nfs/dbraw/zinc/42/21/95/1038422195.db2.gz FBFKIEDWVASPDR-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991907 1038422708 /nfs/dbraw/zinc/42/27/08/1038422708.db2.gz WGBSZCUFGKIVGL-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)ccn1 ZINC000610995580 1038425848 /nfs/dbraw/zinc/42/58/48/1038425848.db2.gz LOLNQUMMPXNFDQ-IBGZPJMESA-N 1 1 319.452 4.188 20 30 DIEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000061799668 1038455664 /nfs/dbraw/zinc/45/56/64/1038455664.db2.gz GXCSMCRRCAELRM-UHFFFAOYSA-N 1 1 303.409 4.157 20 30 DIEDMO C#CCCCCCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167503771 1038480123 /nfs/dbraw/zinc/48/01/23/1038480123.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 1 1 312.501 4.024 20 30 DIEDMO C#CCCCCCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001167503771 1038480130 /nfs/dbraw/zinc/48/01/30/1038480130.db2.gz DTQOQEWAQTVEEE-OAQYLSRUSA-N 1 1 312.501 4.024 20 30 DIEDMO C=CCCC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000605740689 1038551091 /nfs/dbraw/zinc/55/10/91/1038551091.db2.gz NMKUDXMIPKMGNA-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+]Cc1cccc(C#N)c1F)C(C)(C)C ZINC000934291567 1038582032 /nfs/dbraw/zinc/58/20/32/1038582032.db2.gz MWBSGWCLTXEFBY-SFHVURJKSA-N 1 1 311.404 4.278 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000934293270 1038582081 /nfs/dbraw/zinc/58/20/81/1038582081.db2.gz NTEORSRKIOJUHB-SFHVURJKSA-N 1 1 311.404 4.278 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000119861180 1038588215 /nfs/dbraw/zinc/58/82/15/1038588215.db2.gz OKPVRKIAODSGFF-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000119861180 1038588219 /nfs/dbraw/zinc/58/82/19/1038588219.db2.gz OKPVRKIAODSGFF-GOSISDBHSA-N 1 1 310.372 4.043 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)nc1 ZINC000593976722 1038600430 /nfs/dbraw/zinc/60/04/30/1038600430.db2.gz YJROPERSXLDGJC-NJDAHSKKSA-N 1 1 317.436 4.111 20 30 DIEDMO N#Cc1ccc(C2([NH2+]Cc3ccn(C4CCCC4)n3)CCC2)cc1 ZINC000594032498 1038624407 /nfs/dbraw/zinc/62/44/07/1038624407.db2.gz VGTLBOXIOHIVPB-UHFFFAOYSA-N 1 1 320.440 4.039 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000606902701 1038638645 /nfs/dbraw/zinc/63/86/45/1038638645.db2.gz SIJIPBAZZKAETG-OAHLLOKOSA-N 1 1 322.880 4.195 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CSCc2ccccc21)c1ccc(C#N)cc1F ZINC000611588151 1038639366 /nfs/dbraw/zinc/63/93/66/1038639366.db2.gz VTLCQUFHVHKFTR-KZULUSFZSA-N 1 1 312.413 4.336 20 30 DIEDMO FC(F)(F)CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607151063 1038659797 /nfs/dbraw/zinc/65/97/97/1038659797.db2.gz OGOKMUXRVFYJSP-BQBZGAKWSA-N 1 1 317.195 4.002 20 30 DIEDMO CC[N@H+](Cc1nc(C2CC2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000342670541 1038713252 /nfs/dbraw/zinc/71/32/52/1038713252.db2.gz SKADYBFINQYVQP-CYBMUJFWSA-N 1 1 311.454 4.475 20 30 DIEDMO CC[N@@H+](Cc1nc(C2CC2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000342670541 1038713259 /nfs/dbraw/zinc/71/32/59/1038713259.db2.gz SKADYBFINQYVQP-CYBMUJFWSA-N 1 1 311.454 4.475 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc2cccnc21 ZINC000046518388 1038752531 /nfs/dbraw/zinc/75/25/31/1038752531.db2.gz PBYTVEQLMWSYTE-UHFFFAOYSA-N 1 1 321.811 4.392 20 30 DIEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001167598956 1038758506 /nfs/dbraw/zinc/75/85/06/1038758506.db2.gz MPFRSHXAFXLUKH-NRFANRHFSA-N 1 1 304.437 4.403 20 30 DIEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075675552 1038811250 /nfs/dbraw/zinc/81/12/50/1038811250.db2.gz FKDRUEAZOACKTA-MRXNPFEDSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075675551 1038812416 /nfs/dbraw/zinc/81/24/16/1038812416.db2.gz FKDRUEAZOACKTA-INIZCTEOSA-N 1 1 324.428 4.009 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000608909313 1038937935 /nfs/dbraw/zinc/93/79/35/1038937935.db2.gz JHBKQDBWJIJSPJ-LJQANCHMSA-N 1 1 308.400 4.295 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)c(F)c1 ZINC000608977272 1038950347 /nfs/dbraw/zinc/95/03/47/1038950347.db2.gz ATYVXEOVUXQEDC-GOSISDBHSA-N 1 1 308.400 4.467 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000385991283 1039091958 /nfs/dbraw/zinc/09/19/58/1039091958.db2.gz AYVFIEPCGBFKRO-HNNXBMFYSA-N 1 1 305.834 4.155 20 30 DIEDMO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000178786817 1039149365 /nfs/dbraw/zinc/14/93/65/1039149365.db2.gz MWTHQGBYSKYSRZ-GOSISDBHSA-N 1 1 312.388 4.337 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](CC)CCC(F)(F)F)cc1OC ZINC000092753788 1039298867 /nfs/dbraw/zinc/29/88/67/1039298867.db2.gz YRHIIFXDVORFPV-UHFFFAOYSA-N 1 1 317.351 4.034 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000539818418 1039345489 /nfs/dbraw/zinc/34/54/89/1039345489.db2.gz YMQZJPCJRROIAF-QGZVFWFLSA-N 1 1 323.436 4.250 20 30 DIEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1OC(F)F ZINC000539862384 1039375362 /nfs/dbraw/zinc/37/53/62/1039375362.db2.gz IDYYAHXHNDEWTH-NSHDSACASA-N 1 1 308.372 4.029 20 30 DIEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1OC(F)F ZINC000539862384 1039375372 /nfs/dbraw/zinc/37/53/72/1039375372.db2.gz IDYYAHXHNDEWTH-NSHDSACASA-N 1 1 308.372 4.029 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000245999775 1039405822 /nfs/dbraw/zinc/40/58/22/1039405822.db2.gz ILROFOISDCEHCZ-GUYCJALGSA-N 1 1 319.495 4.084 20 30 DIEDMO CC(C)c1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000349921534 1039436794 /nfs/dbraw/zinc/43/67/94/1039436794.db2.gz YKSRJDXIGNFPOT-UHFFFAOYSA-N 1 1 311.454 4.303 20 30 DIEDMO CC(C)c1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000349921534 1039436802 /nfs/dbraw/zinc/43/68/02/1039436802.db2.gz YKSRJDXIGNFPOT-UHFFFAOYSA-N 1 1 311.454 4.303 20 30 DIEDMO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000540295808 1039470498 /nfs/dbraw/zinc/47/04/98/1039470498.db2.gz DHXZWAHENGPFEK-CQSZACIVSA-N 1 1 306.475 4.024 20 30 DIEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000131789905 1039512134 /nfs/dbraw/zinc/51/21/34/1039512134.db2.gz DSAQXSKHTRWZQY-KRWDZBQOSA-N 1 1 310.445 4.133 20 30 DIEDMO Cc1cccc(C)c1OC[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000540591512 1039519596 /nfs/dbraw/zinc/51/95/96/1039519596.db2.gz DALCXVCGRJFIGK-LJQANCHMSA-N 1 1 320.436 4.317 20 30 DIEDMO CC(C)c1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000583971290 1039531603 /nfs/dbraw/zinc/53/16/03/1039531603.db2.gz AKGOOMUJJXREHU-UHFFFAOYSA-N 1 1 305.425 4.241 20 30 DIEDMO CC[N@H+](Cc1cc(-c2ccco2)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340539 1039555189 /nfs/dbraw/zinc/55/51/89/1039555189.db2.gz REIMBSGTRDMZFZ-CQSZACIVSA-N 1 1 321.380 4.389 20 30 DIEDMO CC[N@@H+](Cc1cc(-c2ccco2)on1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340539 1039555204 /nfs/dbraw/zinc/55/52/04/1039555204.db2.gz REIMBSGTRDMZFZ-CQSZACIVSA-N 1 1 321.380 4.389 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)s1)[C@@H]2C ZINC000540994857 1039602803 /nfs/dbraw/zinc/60/28/03/1039602803.db2.gz CKDGPRPXFIHIFI-QWHCGFSZSA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)s1)[C@@H]2C ZINC000540994857 1039602809 /nfs/dbraw/zinc/60/28/09/1039602809.db2.gz CKDGPRPXFIHIFI-QWHCGFSZSA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1cc(C#N)cs1)[C@H]2C ZINC000540994715 1039602915 /nfs/dbraw/zinc/60/29/15/1039602915.db2.gz GYPLPLJKMWXJHK-STQMWFEESA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cc(C#N)cs1)[C@H]2C ZINC000540994715 1039602923 /nfs/dbraw/zinc/60/29/23/1039602923.db2.gz GYPLPLJKMWXJHK-STQMWFEESA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@H]2C ZINC000540995110 1039608008 /nfs/dbraw/zinc/60/80/08/1039608008.db2.gz NPHGEPKSVYXNTK-GJZGRUSLSA-N 1 1 306.409 4.075 20 30 DIEDMO N#Cc1ccc(C[N@H+](CC#Cc2cccc(Cl)c2)C2CC2)cc1 ZINC000541317548 1039661942 /nfs/dbraw/zinc/66/19/42/1039661942.db2.gz CMCLOGALEBJOBL-UHFFFAOYSA-N 1 1 320.823 4.228 20 30 DIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CCC#N)c1 ZINC000541331140 1039668154 /nfs/dbraw/zinc/66/81/54/1039668154.db2.gz YCRDAEHIYDTSII-WOJBJXKFSA-N 1 1 306.409 4.139 20 30 DIEDMO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCC#N)c1 ZINC000541331140 1039668166 /nfs/dbraw/zinc/66/81/66/1039668166.db2.gz YCRDAEHIYDTSII-WOJBJXKFSA-N 1 1 306.409 4.139 20 30 DIEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000584318642 1039671032 /nfs/dbraw/zinc/67/10/32/1039671032.db2.gz SZHBNRNOWCNCER-LBPRGKRZSA-N 1 1 322.330 4.233 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000541349759 1039671729 /nfs/dbraw/zinc/67/17/29/1039671729.db2.gz RMUUMOHACDPMNM-UWJYYQICSA-N 1 1 320.436 4.023 20 30 DIEDMO N#CCC1CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000541921156 1039760975 /nfs/dbraw/zinc/76/09/75/1039760975.db2.gz VTOCZJORRBVWDT-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]2CCCC[C@@H]12 ZINC000542184568 1039811801 /nfs/dbraw/zinc/81/18/01/1039811801.db2.gz CMCORCHOIWSIEC-UXPWSPDFSA-N 1 1 312.457 4.380 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)cc1F ZINC000179095572 1039832201 /nfs/dbraw/zinc/83/22/01/1039832201.db2.gz WMNQMOZDQBGFLC-GOSISDBHSA-N 1 1 300.352 4.323 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC001127255256 1039892052 /nfs/dbraw/zinc/89/20/52/1039892052.db2.gz IMAHOXQRUGWBHH-UHFFFAOYSA-N 1 1 310.526 4.460 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492377877 1039956613 /nfs/dbraw/zinc/95/66/13/1039956613.db2.gz QXMSKBFQKXMBBZ-NSHDSACASA-N 1 1 319.246 4.084 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000492377876 1039958528 /nfs/dbraw/zinc/95/85/28/1039958528.db2.gz QXMSKBFQKXMBBZ-LLVKDONJSA-N 1 1 319.246 4.084 20 30 DIEDMO Cc1cc(C[NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)ccc1C#N ZINC000443992683 1040006089 /nfs/dbraw/zinc/00/60/89/1040006089.db2.gz XOOUDGJEMUGTJL-KRWDZBQOSA-N 1 1 321.468 4.086 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCCSCC#N ZINC000175438359 1040034985 /nfs/dbraw/zinc/03/49/85/1040034985.db2.gz VJQLJSCXKQKZDB-KGLIPLIRSA-N 1 1 310.894 4.411 20 30 DIEDMO CCC[N@H+]1Cc2cccc(N=Cc3cccc(OCC)c3O)c2C1 ZINC000255630543 1040268635 /nfs/dbraw/zinc/26/86/35/1040268635.db2.gz GOEMNBFKCBCFRC-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158748 1040458618 /nfs/dbraw/zinc/45/86/18/1040458618.db2.gz PFLKYFPNBCPPAK-WFASDCNBSA-N 1 1 312.335 4.272 20 30 DIEDMO C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158748 1040458623 /nfs/dbraw/zinc/45/86/23/1040458623.db2.gz PFLKYFPNBCPPAK-WFASDCNBSA-N 1 1 312.335 4.272 20 30 DIEDMO CCOc1cccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)c1O ZINC000179463581 1040464652 /nfs/dbraw/zinc/46/46/52/1040464652.db2.gz WVULQZXMCBUFPC-HNNXBMFYSA-N 1 1 324.424 4.246 20 30 DIEDMO CC[N@@H+](C[C@H](OC)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558832466 1040560293 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Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)cc1 ZINC000809757741 1041248888 /nfs/dbraw/zinc/24/88/88/1041248888.db2.gz VYIVJENAIDUZHJ-IBGZPJMESA-N 1 1 313.489 4.226 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](CC)CCCCCC)C2)C1=O ZINC001170593474 1041290707 /nfs/dbraw/zinc/29/07/07/1041290707.db2.gz RQSXWQSDENPGKN-UYAOXDASSA-N 1 1 320.521 4.236 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000189347046 1041306097 /nfs/dbraw/zinc/30/60/97/1041306097.db2.gz VTCQCVULDURXGL-CYBMUJFWSA-N 1 1 316.351 4.353 20 30 DIEDMO COc1ccc2cc([C@@H](C)[NH2+]Cc3nc(C#N)cs3)ccc2c1 ZINC000810137784 1041318844 /nfs/dbraw/zinc/31/88/44/1041318844.db2.gz XEJZUKHDAILECY-GFCCVEGCSA-N 1 1 323.421 4.027 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000747674902 1041485291 /nfs/dbraw/zinc/48/52/91/1041485291.db2.gz HJMQZVQYCOBAPM-AWEZNQCLSA-N 1 1 319.246 4.256 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000747674902 1041485294 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C=C(C)COCC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000925533100 1041559109 /nfs/dbraw/zinc/55/91/09/1041559109.db2.gz XVPAJRLDPBBOTN-SFHVURJKSA-N 1 1 316.832 4.007 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000190192195 1041580497 /nfs/dbraw/zinc/58/04/97/1041580497.db2.gz WQDSHKKKISXJDH-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000190192195 1041580503 /nfs/dbraw/zinc/58/05/03/1041580503.db2.gz WQDSHKKKISXJDH-AWEZNQCLSA-N 1 1 314.326 4.108 20 30 DIEDMO FC(F)(F)c1cc(Cl)ccc1C[NH+]1CCC(S)CC1 ZINC001143505991 1041611033 /nfs/dbraw/zinc/61/10/33/1041611033.db2.gz ROYAFHGCCRTYQG-UHFFFAOYSA-N 1 1 309.784 4.253 20 30 DIEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000747811379 1041641498 /nfs/dbraw/zinc/64/14/98/1041641498.db2.gz DHGDGSZQTBWBCK-UHFFFAOYSA-N 1 1 324.255 4.044 20 30 DIEDMO N#Cc1csc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000584687748 1041642359 /nfs/dbraw/zinc/64/23/59/1041642359.db2.gz 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/nfs/dbraw/zinc/32/47/81/1042324781.db2.gz PLQYOOZNFBPKTM-HNNXBMFYSA-N 1 1 313.470 4.118 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823437788 1042324787 /nfs/dbraw/zinc/32/47/87/1042324787.db2.gz PLQYOOZNFBPKTM-HNNXBMFYSA-N 1 1 313.470 4.118 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC000823404521 1042325726 /nfs/dbraw/zinc/32/57/26/1042325726.db2.gz RKTPYWWBNUOXCH-UHFFFAOYSA-N 1 1 317.795 4.158 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1F ZINC000823404521 1042325731 /nfs/dbraw/zinc/32/57/31/1042325731.db2.gz RKTPYWWBNUOXCH-UHFFFAOYSA-N 1 1 317.795 4.158 20 30 DIEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823437789 1042326208 /nfs/dbraw/zinc/32/62/08/1042326208.db2.gz PLQYOOZNFBPKTM-OAHLLOKOSA-N 1 1 313.470 4.118 20 30 DIEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823437789 1042326214 /nfs/dbraw/zinc/32/62/14/1042326214.db2.gz PLQYOOZNFBPKTM-OAHLLOKOSA-N 1 1 313.470 4.118 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccc(C)cc3)o2)CC1 ZINC000518798194 1042351258 /nfs/dbraw/zinc/35/12/58/1042351258.db2.gz QWAVVEYKYLBZAE-UHFFFAOYSA-N 1 1 324.468 4.385 20 30 DIEDMO CCCCCCCOc1ccc(CNC2CC[NH+](C)CC2)cc1 ZINC000236638520 1042370831 /nfs/dbraw/zinc/37/08/31/1042370831.db2.gz YTKDLWNXBPXQSP-UHFFFAOYSA-N 1 1 318.505 4.220 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000534331938 1042404584 /nfs/dbraw/zinc/40/45/84/1042404584.db2.gz UZHZTGBZPCNFGD-FQEVSTJZSA-N 1 1 321.424 4.101 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000573695373 1042412795 /nfs/dbraw/zinc/41/27/95/1042412795.db2.gz LWGKDNHTVGXKSN-VQTJNVASSA-N 1 1 305.425 4.111 20 30 DIEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1Cc2ccccc2C1 ZINC000614160547 1042418321 /nfs/dbraw/zinc/41/83/21/1042418321.db2.gz BAPOVMBKVOOQMI-UHFFFAOYSA-N 1 1 304.437 4.087 20 30 DIEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171207 1042421338 /nfs/dbraw/zinc/42/13/38/1042421338.db2.gz FUMCWCJWECLWBC-UHFFFAOYSA-N 1 1 322.452 4.136 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000614176817 1042423175 /nfs/dbraw/zinc/42/31/75/1042423175.db2.gz LIBKPWXQHUXWAA-UHFFFAOYSA-N 1 1 308.400 4.185 20 30 DIEDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182148 1042423376 /nfs/dbraw/zinc/42/33/76/1042423376.db2.gz HMMIQMQOMTUGIG-MRXNPFEDSA-N 1 1 320.436 4.271 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC000411366816 1042440834 /nfs/dbraw/zinc/44/08/34/1042440834.db2.gz QFBKWBUACQJCKT-CEXWTWQISA-N 1 1 317.521 4.188 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000411481193 1042451844 /nfs/dbraw/zinc/45/18/44/1042451844.db2.gz AOIDGWSABPWPKY-CQSZACIVSA-N 1 1 302.418 4.357 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000411481193 1042451846 /nfs/dbraw/zinc/45/18/46/1042451846.db2.gz AOIDGWSABPWPKY-CQSZACIVSA-N 1 1 302.418 4.357 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000120520651 1042467971 /nfs/dbraw/zinc/46/79/71/1042467971.db2.gz JEKVIOJWKSSDCD-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000120520651 1042467974 /nfs/dbraw/zinc/46/79/74/1042467974.db2.gz JEKVIOJWKSSDCD-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000614380051 1042486737 /nfs/dbraw/zinc/48/67/37/1042486737.db2.gz KXBVMIIPVBHOSJ-UHFFFAOYSA-N 1 1 301.352 4.252 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)c1cccc(OC)c1 ZINC000614397560 1042490934 /nfs/dbraw/zinc/49/09/34/1042490934.db2.gz DZZOWKHVNXSDHP-INIZCTEOSA-N 1 1 308.425 4.458 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000614397711 1042491108 /nfs/dbraw/zinc/49/11/08/1042491108.db2.gz UBNDOCFQXJKEJP-OAQYLSRUSA-N 1 1 320.436 4.048 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000614400599 1042491545 /nfs/dbraw/zinc/49/15/45/1042491545.db2.gz ATVAHPKKZCWKOU-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO N#CCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)cc1 ZINC000729268021 1042516833 /nfs/dbraw/zinc/51/68/33/1042516833.db2.gz HISRECZYSAXUCS-OAQYLSRUSA-N 1 1 318.420 4.241 20 30 DIEDMO N#CCOc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)cc1 ZINC000729268020 1042516918 /nfs/dbraw/zinc/51/69/18/1042516918.db2.gz HISRECZYSAXUCS-NRFANRHFSA-N 1 1 318.420 4.241 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccc(OCC#N)cc2)C(C)C)s1 ZINC000729268032 1042517093 /nfs/dbraw/zinc/51/70/93/1042517093.db2.gz HUTLIRQVWPNLDP-UHFFFAOYSA-N 1 1 314.454 4.370 20 30 DIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000729268254 1042517269 /nfs/dbraw/zinc/51/72/69/1042517269.db2.gz UDFRZOMBNTZHOP-FQEVSTJZSA-N 1 1 306.409 4.235 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312446 1042526694 /nfs/dbraw/zinc/52/66/94/1042526694.db2.gz OQMIWGRZTOYNPG-HKUYNNGSSA-N 1 1 320.436 4.275 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000513402386 1042539540 /nfs/dbraw/zinc/53/95/40/1042539540.db2.gz VQYDJGJHYAQRIJ-SFHVURJKSA-N 1 1 310.828 4.419 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C)s2)cc(OC)c1O ZINC000513430496 1042540651 /nfs/dbraw/zinc/54/06/51/1042540651.db2.gz TYFRIBLIPYPMHX-UHFFFAOYSA-N 1 1 317.454 4.131 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)s1 ZINC000513509623 1042549107 /nfs/dbraw/zinc/54/91/07/1042549107.db2.gz UMCALEQOOZYPSL-INIZCTEOSA-N 1 1 300.402 4.404 20 30 DIEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000420935799 1042615346 /nfs/dbraw/zinc/61/53/46/1042615346.db2.gz YNOQROHAYACVMB-JKSUJKDBSA-N 1 1 322.493 4.149 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3cnccc3c2)C2CC2)cc1 ZINC000618808898 1042627662 /nfs/dbraw/zinc/62/76/62/1042627662.db2.gz GEKKZKGSYBWHSW-UHFFFAOYSA-N 1 1 313.404 4.271 20 30 DIEDMO Cn1c2ccc(NCc3ccc(C#N)c(F)c3)cc2[nH+]c1C1CC1 ZINC000421348001 1042631845 /nfs/dbraw/zinc/63/18/45/1042631845.db2.gz VRPRMCXJNVKVGS-UHFFFAOYSA-N 1 1 320.371 4.074 20 30 DIEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1C#N ZINC000016386814 1042633953 /nfs/dbraw/zinc/63/39/53/1042633953.db2.gz JDXCCQBVLOAHCH-UHFFFAOYSA-N 1 1 319.452 4.181 20 30 DIEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1C#N ZINC000016386814 1042633959 /nfs/dbraw/zinc/63/39/59/1042633959.db2.gz JDXCCQBVLOAHCH-UHFFFAOYSA-N 1 1 319.452 4.181 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC(F)(F)C1 ZINC000513893549 1042761464 /nfs/dbraw/zinc/76/14/64/1042761464.db2.gz WADITGVHJXOGEM-KRWDZBQOSA-N 1 1 304.384 4.372 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000514754216 1042789852 /nfs/dbraw/zinc/78/98/52/1042789852.db2.gz LISFHAIRCSRQHE-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1ccc(F)c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000514754216 1042789857 /nfs/dbraw/zinc/78/98/57/1042789857.db2.gz LISFHAIRCSRQHE-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1C1CCCC1 ZINC000425363446 1042796669 /nfs/dbraw/zinc/79/66/69/1042796669.db2.gz BRFYOKFRYFEDDY-HNNXBMFYSA-N 1 1 308.429 4.063 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1C1CCCC1 ZINC000425363446 1042796675 /nfs/dbraw/zinc/79/66/75/1042796675.db2.gz BRFYOKFRYFEDDY-HNNXBMFYSA-N 1 1 308.429 4.063 20 30 DIEDMO C[C@@H](CC1CCOCC1)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365178 1042797581 /nfs/dbraw/zinc/79/75/81/1042797581.db2.gz JESGYVSKBSJDNY-HOTGVXAUSA-N 1 1 300.446 4.004 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C2CCC2)s1 ZINC000425365464 1042797941 /nfs/dbraw/zinc/79/79/41/1042797941.db2.gz KTPJREQTJPYVJH-CYBMUJFWSA-N 1 1 311.454 4.475 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C2CCC2)s1 ZINC000425365464 1042797948 /nfs/dbraw/zinc/79/79/48/1042797948.db2.gz KTPJREQTJPYVJH-CYBMUJFWSA-N 1 1 311.454 4.475 20 30 DIEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367005 1042799272 /nfs/dbraw/zinc/79/92/72/1042799272.db2.gz RKKPOIOMXWLHRM-HNNXBMFYSA-N 1 1 324.472 4.320 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)c1ccccc1 ZINC000425539758 1042837696 /nfs/dbraw/zinc/83/76/96/1042837696.db2.gz UMNZWDQGGQOSAH-MRXNPFEDSA-N 1 1 306.409 4.214 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c(C(F)(F)F)c1 ZINC000516918711 1042859598 /nfs/dbraw/zinc/85/95/98/1042859598.db2.gz XJQZPLTWDUOAJO-CQSZACIVSA-N 1 1 308.347 4.199 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000517042841 1042864518 /nfs/dbraw/zinc/86/45/18/1042864518.db2.gz DYHKGUMQRXMJHS-HNNXBMFYSA-N 1 1 308.347 4.113 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1csc(-c2cccc(OC)c2)n1 ZINC000048617454 1042962067 /nfs/dbraw/zinc/96/20/67/1042962067.db2.gz DRYOJHBQLLDAJK-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1csc(-c2cccc(OC)c2)n1 ZINC000048617454 1042962072 /nfs/dbraw/zinc/96/20/72/1042962072.db2.gz DRYOJHBQLLDAJK-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)cc1 ZINC000120882206 1042991100 /nfs/dbraw/zinc/99/11/00/1042991100.db2.gz BLHBRESCHKJSCS-SFHVURJKSA-N 1 1 312.438 4.356 20 30 DIEDMO CCCc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C(C)C)cc1 ZINC000519789459 1043002487 /nfs/dbraw/zinc/00/24/87/1043002487.db2.gz GNHGSUYBCOOIIS-GOSISDBHSA-N 1 1 313.470 4.454 20 30 DIEDMO C=CC[N@H+](CCOc1ccccc1OCC)Cc1cccs1 ZINC000441240386 1043029293 /nfs/dbraw/zinc/02/92/93/1043029293.db2.gz BCCSIEBRWJQAOE-UHFFFAOYSA-N 1 1 317.454 4.214 20 30 DIEDMO C=C(C)C[N@H+]1CCc2c(cccc2NC(=O)Nc2ccccc2)C1 ZINC000520263675 1043029464 /nfs/dbraw/zinc/02/94/64/1043029464.db2.gz DZYMFVQCJBWKRS-UHFFFAOYSA-N 1 1 321.424 4.265 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322014 1043036410 /nfs/dbraw/zinc/03/64/10/1043036410.db2.gz FJZPLSVLAHGCIV-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322014 1043036414 /nfs/dbraw/zinc/03/64/14/1043036414.db2.gz FJZPLSVLAHGCIV-BFUOFWGJSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441332724 1043036994 /nfs/dbraw/zinc/03/69/94/1043036994.db2.gz RSOPOOZONGQRNY-YJYMSZOUSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000441332724 1043036997 /nfs/dbraw/zinc/03/69/97/1043036997.db2.gz RSOPOOZONGQRNY-YJYMSZOUSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332729 1043037530 /nfs/dbraw/zinc/03/75/30/1043037530.db2.gz RTGOPHWHZWUTPZ-YJYMSZOUSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332729 1043037537 /nfs/dbraw/zinc/03/75/37/1043037537.db2.gz RTGOPHWHZWUTPZ-YJYMSZOUSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000441332912 1043038110 /nfs/dbraw/zinc/03/81/10/1043038110.db2.gz SGJCIQMHTAYGMR-MGPUTAFESA-N 1 1 324.399 4.159 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000441367898 1043041467 /nfs/dbraw/zinc/04/14/67/1043041467.db2.gz YKNYMVICDKMGHP-LJQANCHMSA-N 1 1 310.416 4.459 20 30 DIEDMO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000173899414 1043055950 /nfs/dbraw/zinc/05/59/50/1043055950.db2.gz RPAXSCLKFISWID-KRWDZBQOSA-N 1 1 319.452 4.005 20 30 DIEDMO C=CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994254 1043070450 /nfs/dbraw/zinc/07/04/50/1043070450.db2.gz ALZXBLTWAWNYML-WCRBZPEASA-N 1 1 310.485 4.080 20 30 DIEDMO CCc1nc2cc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)ccc2o1 ZINC000328794482 1043078871 /nfs/dbraw/zinc/07/88/71/1043078871.db2.gz SMFVQSVXEGISSH-ZDUSSCGKSA-N 1 1 315.417 4.243 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000328794806 1043079497 /nfs/dbraw/zinc/07/94/97/1043079497.db2.gz SQMXMCICIKCOHY-ZDUSSCGKSA-N 1 1 315.417 4.073 20 30 DIEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476513 1043163586 /nfs/dbraw/zinc/16/35/86/1043163586.db2.gz KAQKZDHPGKBDLN-RHSMWYFYSA-N 1 1 324.428 4.009 20 30 DIEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441476512 1043165474 /nfs/dbraw/zinc/16/54/74/1043165474.db2.gz KAQKZDHPGKBDLN-PBHICJAKSA-N 1 1 324.428 4.009 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866267274 1043167456 /nfs/dbraw/zinc/16/74/56/1043167456.db2.gz AOETUPJICXJQFF-RHSMWYFYSA-N 1 1 309.413 4.015 20 30 DIEDMO N#CCCC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1ccccc1 ZINC000866363458 1043190057 /nfs/dbraw/zinc/19/00/57/1043190057.db2.gz LPNDGOCGRJJDOJ-CMKODMSKSA-N 1 1 324.399 4.483 20 30 DIEDMO Cc1ccc2nc([C@H]3CCCN3Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000574726179 1043235659 /nfs/dbraw/zinc/23/56/59/1043235659.db2.gz VLTKGKIIYKWNPA-LJQANCHMSA-N 1 1 316.408 4.080 20 30 DIEDMO CC(=[NH+]OC1CCCCC1)c1ccc(N2CCCC2)cc1O ZINC000777460149 1043257178 /nfs/dbraw/zinc/25/71/78/1043257178.db2.gz VSAATRCDIDOIBG-UHFFFAOYSA-N 1 1 302.418 4.066 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)cc1 ZINC000122177387 1043284837 /nfs/dbraw/zinc/28/48/37/1043284837.db2.gz IHAMHONTJXTJRP-CABCVRRESA-N 1 1 312.388 4.310 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(C#N)cc1F ZINC000427885632 1043313730 /nfs/dbraw/zinc/31/37/30/1043313730.db2.gz MYGNYTXWSOSTKM-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC001202528281 1043318334 /nfs/dbraw/zinc/31/83/34/1043318334.db2.gz BDEJEZYUROSPNY-PXNSSMCTSA-N 1 1 320.436 4.158 20 30 DIEDMO CCC(CC)(CN[C@@H]1CC[C@@H](C#N)C1)[NH2+][C@H](C)c1ccccc1 ZINC000442774349 1043416654 /nfs/dbraw/zinc/41/66/54/1043416654.db2.gz AHCHZIRRDYCZLI-ZHALLVOQSA-N 1 1 313.489 4.178 20 30 DIEDMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)ccc1C#N ZINC000442807081 1043421155 /nfs/dbraw/zinc/42/11/55/1043421155.db2.gz DKYWNGHFIMMQMI-IBGZPJMESA-N 1 1 321.424 4.079 20 30 DIEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000442802599 1043426625 /nfs/dbraw/zinc/42/66/25/1043426625.db2.gz QCZVWINNIIGHLY-MRXNPFEDSA-N 1 1 312.438 4.138 20 30 DIEDMO COc1cc(C[N@@H+](Cc2ccco2)C2CCCC2)ccc1C#N ZINC000442808506 1043428698 /nfs/dbraw/zinc/42/86/98/1043428698.db2.gz HLDCIDMFSFAXNG-UHFFFAOYSA-N 1 1 310.397 4.105 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117305 1043442822 /nfs/dbraw/zinc/44/28/22/1043442822.db2.gz PJGIYCXRWBQFEI-BEFAXECRSA-N 1 1 310.828 4.170 20 30 DIEDMO CSc1nnc(SC)n1[NH+]=CC1CCC(C(C)C)CC1 ZINC000872417552 1043497848 /nfs/dbraw/zinc/49/78/48/1043497848.db2.gz DUNCKRWCVSOHGG-UHFFFAOYSA-N 1 1 312.508 4.018 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000442892147 1043451752 /nfs/dbraw/zinc/45/17/52/1043451752.db2.gz DTILXDGMYAONJB-MRXNPFEDSA-N 1 1 313.404 4.280 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889685 1043451883 /nfs/dbraw/zinc/45/18/83/1043451883.db2.gz FVFWWEKTVWSBHW-HRAATJIYSA-N 1 1 318.420 4.141 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000442900936 1043453787 /nfs/dbraw/zinc/45/37/87/1043453787.db2.gz SPWGVUQVRPDLLD-AEFFLSMTSA-N 1 1 306.409 4.020 20 30 DIEDMO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000442930847 1043457112 /nfs/dbraw/zinc/45/71/12/1043457112.db2.gz BHIMEORAOFIDOB-FQEVSTJZSA-N 1 1 322.537 4.195 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC(C)(C)CCC#N ZINC000348878001 1043478511 /nfs/dbraw/zinc/47/85/11/1043478511.db2.gz QCIBVIMZXZKIOW-UHFFFAOYSA-N 1 1 302.466 4.172 20 30 DIEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](c2ccccc2C)C(C)C)no1 ZINC000872180689 1043484898 /nfs/dbraw/zinc/48/48/98/1043484898.db2.gz ABLZDKRHRZDQSC-LSDHHAIUSA-N 1 1 319.836 4.308 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279711 1043489876 /nfs/dbraw/zinc/48/98/76/1043489876.db2.gz HFSVVOWDRFLYIP-GOSISDBHSA-N 1 1 318.848 4.135 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279711 1043489885 /nfs/dbraw/zinc/48/98/85/1043489885.db2.gz HFSVVOWDRFLYIP-GOSISDBHSA-N 1 1 318.848 4.135 20 30 DIEDMO N#Cc1cccc(C2([NH2+][C@H]3CCCc4c(Cl)ccnc43)CC2)c1 ZINC000925925986 1043495033 /nfs/dbraw/zinc/49/50/33/1043495033.db2.gz LJTNXUCGGJWVOX-KRWDZBQOSA-N 1 1 323.827 4.263 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124069926 1043495286 /nfs/dbraw/zinc/49/52/86/1043495286.db2.gz GDIUOKPNIUAUHA-MGPUTAFESA-N 1 1 324.399 4.454 20 30 DIEDMO C=CC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000349522531 1043509770 /nfs/dbraw/zinc/50/97/70/1043509770.db2.gz OFWPIGPWFFETNL-UHFFFAOYSA-N 1 1 309.438 4.122 20 30 DIEDMO C=CC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccs1 ZINC000349522531 1043509783 /nfs/dbraw/zinc/50/97/83/1043509783.db2.gz OFWPIGPWFFETNL-UHFFFAOYSA-N 1 1 309.438 4.122 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2ccco2)C(C)C)cc1OC ZINC000349829516 1043527672 /nfs/dbraw/zinc/52/76/72/1043527672.db2.gz CAYVZSCCRKOSPL-UHFFFAOYSA-N 1 1 315.413 4.264 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C2CC2)cc1 ZINC000349909954 1043529920 /nfs/dbraw/zinc/52/99/20/1043529920.db2.gz DWLIPMIPNHKZPW-UHFFFAOYSA-N 1 1 313.404 4.271 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCCCOC)C(C)(C)C)cc1 ZINC001168016588 1043545565 /nfs/dbraw/zinc/54/55/65/1043545565.db2.gz BYEWTDZIRYCPRO-UHFFFAOYSA-N 1 1 305.462 4.279 20 30 DIEDMO CCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)s1 ZINC000350662312 1043549792 /nfs/dbraw/zinc/54/97/92/1043549792.db2.gz UDXJCIKDUNFGHD-UHFFFAOYSA-N 1 1 313.470 4.235 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777595114 1043562251 /nfs/dbraw/zinc/56/22/51/1043562251.db2.gz UVJTUTRYLTWCSL-VQTJNVASSA-N 1 1 308.400 4.428 20 30 DIEDMO C=C(CC)C[N@@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC001168018765 1043564262 /nfs/dbraw/zinc/56/42/62/1043564262.db2.gz URPCIOOXXIQHQP-UHFFFAOYSA-N 1 1 321.461 4.279 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(CCCC)C2=O)C1 ZINC001275114183 1043575688 /nfs/dbraw/zinc/57/56/88/1043575688.db2.gz KJXCZPFZIRTNBI-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000738422422 1043576965 /nfs/dbraw/zinc/57/69/65/1043576965.db2.gz BXWZNDIUADUHME-SFHVURJKSA-N 1 1 315.363 4.218 20 30 DIEDMO C=CCOc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1OC ZINC000353083169 1043582586 /nfs/dbraw/zinc/58/25/86/1043582586.db2.gz QPQLGHIEEZILEC-UHFFFAOYSA-N 1 1 310.397 4.145 20 30 DIEDMO N#CCCC[N@@H+]1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC001307864092 1043588379 /nfs/dbraw/zinc/58/83/79/1043588379.db2.gz NZIRIOLECLQJPT-MRXNPFEDSA-N 1 1 321.262 4.150 20 30 DIEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1coc(-c3cccs3)n1)CC2 ZINC000353249050 1043593016 /nfs/dbraw/zinc/59/30/16/1043593016.db2.gz BZZHUSYCXPHGCV-MRXNPFEDSA-N 1 1 321.405 4.052 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000353406019 1043603625 /nfs/dbraw/zinc/60/36/25/1043603625.db2.gz TVSUVOHTPYDSOB-UHFFFAOYSA-N 1 1 310.445 4.024 20 30 DIEDMO CC[N@@H+](C[C@@H](OC)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558832467 1043612161 /nfs/dbraw/zinc/61/21/61/1043612161.db2.gz DARWTQGRBOAKAD-OXJNMPFZSA-N 1 1 308.425 4.329 20 30 DIEDMO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Br ZINC001137616654 1043614634 /nfs/dbraw/zinc/61/46/34/1043614634.db2.gz VKBCGGBTXZQSLT-QKDCVEJESA-N 1 1 319.246 4.024 20 30 DIEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Br ZINC001137616654 1043614637 /nfs/dbraw/zinc/61/46/37/1043614637.db2.gz VKBCGGBTXZQSLT-QKDCVEJESA-N 1 1 319.246 4.024 20 30 DIEDMO CC1CCC([N@H+](Cc2cc(C#N)cs2)C[C@@H]2CCCO2)CC1 ZINC000353644330 1043626957 /nfs/dbraw/zinc/62/69/57/1043626957.db2.gz DFPMANLGELDNJK-PREGVCBESA-N 1 1 318.486 4.179 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000125422602 1043627608 /nfs/dbraw/zinc/62/76/08/1043627608.db2.gz YRJIAIIPBFTYKE-MRXNPFEDSA-N 1 1 306.409 4.142 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC(C)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000125624253 1043642205 /nfs/dbraw/zinc/64/22/05/1043642205.db2.gz DFDRLLGXOOSYPA-OAHLLOKOSA-N 1 1 322.408 4.067 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cccn1 ZINC001137100929 1043657907 /nfs/dbraw/zinc/65/79/07/1043657907.db2.gz ULHTWBHALRAQJP-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000125809090 1043665228 /nfs/dbraw/zinc/66/52/28/1043665228.db2.gz CUPVYCVUQOETOP-CVEARBPZSA-N 1 1 324.424 4.179 20 30 DIEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(CC(=C)C)C2=O)C1 ZINC001275336938 1043708518 /nfs/dbraw/zinc/70/85/18/1043708518.db2.gz MKMPLFCFUBQZJH-HXUWFJFHSA-N 1 1 318.505 4.014 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000876803466 1043710388 /nfs/dbraw/zinc/71/03/88/1043710388.db2.gz IOIYCZDHSUQIAA-BRWVUGGUSA-N 1 1 320.502 4.356 20 30 DIEDMO Cc1ccc(CCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000474278128 1043723955 /nfs/dbraw/zinc/72/39/55/1043723955.db2.gz VQOLCRSSJCZIIN-LEWJYISDSA-N 1 1 319.452 4.094 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC000355213362 1043752754 /nfs/dbraw/zinc/75/27/54/1043752754.db2.gz FPPJOFWBMWFQCN-JOCHJYFZSA-N 1 1 313.466 4.002 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000355213757 1043753299 /nfs/dbraw/zinc/75/32/99/1043753299.db2.gz GBDIYTUKEIFGFR-KRWDZBQOSA-N 1 1 318.436 4.137 20 30 DIEDMO CCCC[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC001137119610 1043759095 /nfs/dbraw/zinc/75/90/95/1043759095.db2.gz ZLKYYLFLQNAKHE-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C(C)(C)Cc1ccccc1 ZINC001137121346 1043767994 /nfs/dbraw/zinc/76/79/94/1043767994.db2.gz GJYUEUMRJQPXJB-UHFFFAOYSA-N 1 1 308.425 4.042 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000025438987 1043779367 /nfs/dbraw/zinc/77/93/67/1043779367.db2.gz MONDDDBDDDABCO-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000025438987 1043779374 /nfs/dbraw/zinc/77/93/74/1043779374.db2.gz MONDDDBDDDABCO-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)cc1 ZINC000877769591 1043797616 /nfs/dbraw/zinc/79/76/16/1043797616.db2.gz LORNVNJBCZNTAO-HNNXBMFYSA-N 1 1 319.408 4.091 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000356050800 1043805116 /nfs/dbraw/zinc/80/51/16/1043805116.db2.gz GKAZRTNIUTZBPV-MRXNPFEDSA-N 1 1 319.330 4.242 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C(F)(F)F)c1 ZINC000356050800 1043805134 /nfs/dbraw/zinc/80/51/34/1043805134.db2.gz GKAZRTNIUTZBPV-MRXNPFEDSA-N 1 1 319.330 4.242 20 30 DIEDMO N#CC1(CCCC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CCC1 ZINC000929338819 1043811457 /nfs/dbraw/zinc/81/14/57/1043811457.db2.gz NQHBOLYHQYYTAF-SFHVURJKSA-N 1 1 316.445 4.125 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000929516841 1043822203 /nfs/dbraw/zinc/82/22/03/1043822203.db2.gz PEBULWVPRWWZCY-JTTJXQCZSA-N 1 1 318.848 4.043 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000929516841 1043822221 /nfs/dbraw/zinc/82/22/21/1043822221.db2.gz PEBULWVPRWWZCY-JTTJXQCZSA-N 1 1 318.848 4.043 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCCO[C@@H](c3ccccc3)C2)CCC1 ZINC000929530897 1043824568 /nfs/dbraw/zinc/82/45/68/1043824568.db2.gz QEMYWPVIVGMYHI-LJQANCHMSA-N 1 1 312.457 4.314 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929757575 1043838543 /nfs/dbraw/zinc/83/85/43/1043838543.db2.gz TVMNJVBKGILUCD-ZYKFHVCXSA-N 1 1 307.441 4.088 20 30 DIEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356428229 1043841213 /nfs/dbraw/zinc/84/12/13/1043841213.db2.gz ZJZJQHLNXHVODF-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356428229 1043841228 /nfs/dbraw/zinc/84/12/28/1043841228.db2.gz ZJZJQHLNXHVODF-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO CCCCCCC[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000783533662 1043849976 /nfs/dbraw/zinc/84/99/76/1043849976.db2.gz TZIKTIWJGGCUHP-SFHVURJKSA-N 1 1 300.450 4.007 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC2(C1)CCCCC2)c1ccccc1 ZINC000878136038 1043851634 /nfs/dbraw/zinc/85/16/34/1043851634.db2.gz VKODUNXOGWDKLJ-NRFANRHFSA-N 1 1 324.468 4.083 20 30 DIEDMO N#CCC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000878182190 1043854505 /nfs/dbraw/zinc/85/45/05/1043854505.db2.gz BVHSNYCZWJFBLI-RTBURBONSA-N 1 1 312.457 4.049 20 30 DIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC1CCC(C#N)CC1)CCC2 ZINC000929976228 1043861255 /nfs/dbraw/zinc/86/12/55/1043861255.db2.gz NEMBNOJIUVKKKH-ZBCRRDGASA-N 1 1 303.475 4.091 20 30 DIEDMO N#Cc1cncc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000929970124 1043863930 /nfs/dbraw/zinc/86/39/30/1043863930.db2.gz SYSGCACYWJQRFS-HXUWFJFHSA-N 1 1 316.408 4.162 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000929970124 1043863942 /nfs/dbraw/zinc/86/39/42/1043863942.db2.gz SYSGCACYWJQRFS-HXUWFJFHSA-N 1 1 316.408 4.162 20 30 DIEDMO CC[C@@](C)([NH2+]Cc1cc(Cl)cc(C#N)c1)c1nc(C)cs1 ZINC000930010580 1043865667 /nfs/dbraw/zinc/86/56/67/1043865667.db2.gz RPRVYSCCMACRDV-MRXNPFEDSA-N 1 1 319.861 4.392 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)CCC1 ZINC000930106731 1043875315 /nfs/dbraw/zinc/87/53/15/1043875315.db2.gz UFVLRBIJFPXNHG-UHFFFAOYSA-N 1 1 307.441 4.390 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCc3c4ccccc4[nH]c3C2)CCC1 ZINC000930106731 1043875325 /nfs/dbraw/zinc/87/53/25/1043875325.db2.gz UFVLRBIJFPXNHG-UHFFFAOYSA-N 1 1 307.441 4.390 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CCC(C(F)(F)F)CC1 ZINC000185495015 1043881136 /nfs/dbraw/zinc/88/11/36/1043881136.db2.gz DCSMGSNHZZVCGU-UHFFFAOYSA-N 1 1 310.363 4.359 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000930178882 1043887811 /nfs/dbraw/zinc/88/78/11/1043887811.db2.gz IHIUIHKTLWZTCS-UHFFFAOYSA-N 1 1 315.848 4.154 20 30 DIEDMO C[C@H](CCO)[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccc1 ZINC000930177532 1043888283 /nfs/dbraw/zinc/88/82/83/1043888283.db2.gz NNYCNYHXHAFLHL-GOSISDBHSA-N 1 1 314.473 4.124 20 30 DIEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)sc1C(C)(C)C ZINC000930203454 1043893604 /nfs/dbraw/zinc/89/36/04/1043893604.db2.gz VFLOAAPYUGNDCT-LBPRGKRZSA-N 1 1 313.470 4.472 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(F)nc1 ZINC000930459613 1043927728 /nfs/dbraw/zinc/92/77/28/1043927728.db2.gz IJNQKLRZAIDIAL-HNNXBMFYSA-N 1 1 316.424 4.137 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(F)nc1 ZINC000930459613 1043927738 /nfs/dbraw/zinc/92/77/38/1043927738.db2.gz IJNQKLRZAIDIAL-HNNXBMFYSA-N 1 1 316.424 4.137 20 30 DIEDMO C=C(C)C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccc(CO)o1 ZINC000930455500 1043928705 /nfs/dbraw/zinc/92/87/05/1043928705.db2.gz PHUQZGZGNHPALY-UHFFFAOYSA-N 1 1 316.445 4.014 20 30 DIEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878995029 1043934084 /nfs/dbraw/zinc/93/40/84/1043934084.db2.gz IIROIZAJWFDHRU-PWIZWCRZSA-N 1 1 312.457 4.080 20 30 DIEDMO CC(C)c1nsc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000930571392 1043942344 /nfs/dbraw/zinc/94/23/44/1043942344.db2.gz VXZRCFKUJKTASY-HNNXBMFYSA-N 1 1 314.458 4.186 20 30 DIEDMO CC(C)(C)c1nc(C[NH2+][C@@H](CCCC#N)c2ccccc2)co1 ZINC000930568951 1043942844 /nfs/dbraw/zinc/94/28/44/1043942844.db2.gz IVWLEUBHENVYHE-KRWDZBQOSA-N 1 1 311.429 4.497 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1sccc1C ZINC000561397989 1043944090 /nfs/dbraw/zinc/94/40/90/1043944090.db2.gz KYILSDFTBHNSFO-UHFFFAOYSA-N 1 1 303.475 4.412 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000930610509 1043948554 /nfs/dbraw/zinc/94/85/54/1043948554.db2.gz RSBLTNSMCPNFRR-KRWDZBQOSA-N 1 1 320.864 4.169 20 30 DIEDMO C=CC(C)(C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000879176520 1043949036 /nfs/dbraw/zinc/94/90/36/1043949036.db2.gz YBPCWRWISFOFAP-KRWDZBQOSA-N 1 1 320.521 4.092 20 30 DIEDMO N#CC1(CCCC[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CCC1 ZINC000930765350 1043961900 /nfs/dbraw/zinc/96/19/00/1043961900.db2.gz MAFGFXZNRBUBMI-GOSISDBHSA-N 1 1 316.489 4.132 20 30 DIEDMO Cc1ccc(C[N@@H+](CCCCC2(C#N)CCC2)CC2CC2)cn1 ZINC000930816823 1043965515 /nfs/dbraw/zinc/96/55/15/1043965515.db2.gz PRFAISXUYRCFBY-UHFFFAOYSA-N 1 1 311.473 4.466 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1C#N)C(C)(C)C ZINC001141907892 1043988042 /nfs/dbraw/zinc/98/80/42/1043988042.db2.gz SIAKVXFWYJVVSS-UHFFFAOYSA-N 1 1 307.235 4.107 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1nnc(CC)s1)c1ccccc1 ZINC000880390872 1044036122 /nfs/dbraw/zinc/03/61/22/1044036122.db2.gz XMFDDAOTJNTCJN-HNNXBMFYSA-N 1 1 301.459 4.288 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1ncnn1CC(C)C)c1ccccc1 ZINC000880389486 1044037585 /nfs/dbraw/zinc/03/75/85/1044037585.db2.gz HJGCDDUYMOSRJT-GOSISDBHSA-N 1 1 312.461 4.121 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C)n1C1CC1)c1ccccc1 ZINC000880390122 1044037673 /nfs/dbraw/zinc/03/76/73/1044037673.db2.gz XJDLZYORXAISDW-GOSISDBHSA-N 1 1 310.445 4.109 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C)n1CCC)c1ccccc1 ZINC000880390858 1044037982 /nfs/dbraw/zinc/03/79/82/1044037982.db2.gz WPLIUFFBVSEZRQ-GOSISDBHSA-N 1 1 312.461 4.184 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000931538706 1044041214 /nfs/dbraw/zinc/04/12/14/1044041214.db2.gz UUUBIOSZMKCWGT-LJQANCHMSA-N 1 1 312.457 4.099 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576888 1044048445 /nfs/dbraw/zinc/04/84/45/1044048445.db2.gz FNFDTJZHNRZEJC-GOSISDBHSA-N 1 1 306.494 4.235 20 30 DIEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000562202102 1044082573 /nfs/dbraw/zinc/08/25/73/1044082573.db2.gz KDBQIJFXTMGFKW-NEPJUHHUSA-N 1 1 319.861 4.292 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910563 1044084086 /nfs/dbraw/zinc/08/40/86/1044084086.db2.gz FHYKSDHWKXDYIL-CYBMUJFWSA-N 1 1 306.347 4.073 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932194365 1044106823 /nfs/dbraw/zinc/10/68/23/1044106823.db2.gz RKILJMDMRFFJOY-CQSZACIVSA-N 1 1 317.502 4.141 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203945 1044108793 /nfs/dbraw/zinc/10/87/93/1044108793.db2.gz NFGCAFFWROYJOY-ZBFHGGJFSA-N 1 1 311.454 4.030 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199487 1044109534 /nfs/dbraw/zinc/10/95/34/1044109534.db2.gz ROUUPQOOFAKWAM-HOCLYGCPSA-N 1 1 311.454 4.030 20 30 DIEDMO COc1ccc2c(c1)CCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000562470781 1044118476 /nfs/dbraw/zinc/11/84/76/1044118476.db2.gz OFKKLXXGEUSVEU-UHFFFAOYSA-N 1 1 300.446 4.163 20 30 DIEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1OC ZINC000932474571 1044134197 /nfs/dbraw/zinc/13/41/97/1044134197.db2.gz FXJUNXBXBYXTNV-KRWDZBQOSA-N 1 1 316.351 4.086 20 30 DIEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295140 1044152080 /nfs/dbraw/zinc/15/20/80/1044152080.db2.gz OIOHBLHMDXRJLI-PXNSSMCTSA-N 1 1 312.457 4.381 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166896 1044204733 /nfs/dbraw/zinc/20/47/33/1044204733.db2.gz MGADUJGCTQPXIF-ACJLOTCBSA-N 1 1 311.816 4.190 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166896 1044204745 /nfs/dbraw/zinc/20/47/45/1044204745.db2.gz MGADUJGCTQPXIF-ACJLOTCBSA-N 1 1 311.816 4.190 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)nc1 ZINC000934339991 1044240379 /nfs/dbraw/zinc/24/03/79/1044240379.db2.gz KPXRKJMVENZLHX-GOSISDBHSA-N 1 1 313.445 4.091 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468829 1044252402 /nfs/dbraw/zinc/25/24/02/1044252402.db2.gz KODHVXHKEGYTHA-SNVBAGLBSA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468829 1044252414 /nfs/dbraw/zinc/25/24/14/1044252414.db2.gz KODHVXHKEGYTHA-SNVBAGLBSA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468711 1044253140 /nfs/dbraw/zinc/25/31/40/1044253140.db2.gz HLCDZSHQQVCPKH-WFASDCNBSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468711 1044253150 /nfs/dbraw/zinc/25/31/50/1044253150.db2.gz HLCDZSHQQVCPKH-WFASDCNBSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468710 1044253306 /nfs/dbraw/zinc/25/33/06/1044253306.db2.gz HLCDZSHQQVCPKH-SWLSCSKDSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468710 1044253315 /nfs/dbraw/zinc/25/33/15/1044253315.db2.gz HLCDZSHQQVCPKH-SWLSCSKDSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1coc(-c2ccccc2OC)n1 ZINC000934647385 1044267134 /nfs/dbraw/zinc/26/71/34/1044267134.db2.gz NNIINHRDUSWRAO-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000883325166 1044272868 /nfs/dbraw/zinc/27/28/68/1044272868.db2.gz QKGRIGJCLBDVGB-LJQANCHMSA-N 1 1 310.445 4.190 20 30 DIEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(C(F)(F)F)c1O ZINC000840787752 1044286128 /nfs/dbraw/zinc/28/61/28/1044286128.db2.gz PHLAWSBXDILMKG-JTQLQIEISA-N 1 1 300.324 4.001 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000934877792 1044290737 /nfs/dbraw/zinc/29/07/37/1044290737.db2.gz SSOOMPZXBMGKBV-CRAIPNDOSA-N 1 1 315.461 4.056 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000934877798 1044291024 /nfs/dbraw/zinc/29/10/24/1044291024.db2.gz SSOOMPZXBMGKBV-QAPCUYQASA-N 1 1 315.461 4.056 20 30 DIEDMO N#CC1(c2ccc(C[NH2+][C@H]3c4ccccc4CC[C@@H]3F)cc2)CC1 ZINC000883381954 1044295942 /nfs/dbraw/zinc/29/59/42/1044295942.db2.gz WZEGRQONLJJBGQ-PMACEKPBSA-N 1 1 320.411 4.357 20 30 DIEDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1OC ZINC000186193891 1044303818 /nfs/dbraw/zinc/30/38/18/1044303818.db2.gz HUOJOFWKJBNDEF-HNNXBMFYSA-N 1 1 324.424 4.077 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716029 1044305024 /nfs/dbraw/zinc/30/50/24/1044305024.db2.gz MSDVEKBNGDBIJQ-AWEZNQCLSA-N 1 1 321.380 4.192 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563716029 1044305035 /nfs/dbraw/zinc/30/50/35/1044305035.db2.gz MSDVEKBNGDBIJQ-AWEZNQCLSA-N 1 1 321.380 4.192 20 30 DIEDMO C=CCC1(C(=O)Nc2ccc(-n3c[nH+]c(C)c3C)cc2)CCC1 ZINC000360950462 1044334734 /nfs/dbraw/zinc/33/47/34/1044334734.db2.gz CUVGEJURLKDYEO-UHFFFAOYSA-N 1 1 309.413 4.174 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)Cc1ccsc1 ZINC000778371993 1044353888 /nfs/dbraw/zinc/35/38/88/1044353888.db2.gz PDKXDSNUPSQCLI-OAHLLOKOSA-N 1 1 314.454 4.104 20 30 DIEDMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000361112283 1044361634 /nfs/dbraw/zinc/36/16/34/1044361634.db2.gz XVLZHRIZXWLSFU-UHFFFAOYSA-N 1 1 306.409 4.193 20 30 DIEDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(OCCCC#N)c1)C2 ZINC000361112283 1044361643 /nfs/dbraw/zinc/36/16/43/1044361643.db2.gz XVLZHRIZXWLSFU-UHFFFAOYSA-N 1 1 306.409 4.193 20 30 DIEDMO Cc1ccc([C@H]([NH2+]Cc2cc(C#N)cs2)c2ccccn2)cc1 ZINC000475337252 1044369595 /nfs/dbraw/zinc/36/95/95/1044369595.db2.gz PTGAQOMUCGFDAX-IBGZPJMESA-N 1 1 319.433 4.202 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)c1cccc(C#N)c1 ZINC000361179119 1044370402 /nfs/dbraw/zinc/37/04/02/1044370402.db2.gz OZYVFDRWNQDFQX-BDJLRTHQSA-N 1 1 314.335 4.011 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCOc2c(F)ccc(F)c21)c1cccc(C#N)c1 ZINC000361179122 1044370771 /nfs/dbraw/zinc/37/07/71/1044370771.db2.gz OZYVFDRWNQDFQX-MEDUHNTESA-N 1 1 314.335 4.011 20 30 DIEDMO N#Cc1csc(C[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000564407952 1044375744 /nfs/dbraw/zinc/37/57/44/1044375744.db2.gz QFDASWVTBHGTGS-QGZVFWFLSA-N 1 1 315.417 4.175 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565619111 1044445469 /nfs/dbraw/zinc/44/54/69/1044445469.db2.gz FVKDREVBMBPVII-FQEVSTJZSA-N 1 1 308.425 4.158 20 30 DIEDMO N#Cc1cccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566215865 1044475852 /nfs/dbraw/zinc/47/58/52/1044475852.db2.gz YRESPRWAVBMODF-HXUWFJFHSA-N 1 1 317.436 4.167 20 30 DIEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(C#N)ccc1F ZINC000609916454 1044478271 /nfs/dbraw/zinc/47/82/71/1044478271.db2.gz PWRUMFLNMVLPMM-BBRMVZONSA-N 1 1 312.363 4.214 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000121439166 1044524185 /nfs/dbraw/zinc/52/41/85/1044524185.db2.gz UEIBVNDZKVMKCW-GFCCVEGCSA-N 1 1 317.433 4.218 20 30 DIEDMO CO[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000567243404 1044554421 /nfs/dbraw/zinc/55/44/21/1044554421.db2.gz LWXMRRFTGQJNBJ-PCCBWWKXSA-N 1 1 320.436 4.146 20 30 DIEDMO COc1ccc(CCC[N@@H+](C)CCCCC(C)(C)C#N)cc1 ZINC000444600549 1044574777 /nfs/dbraw/zinc/57/47/77/1044574777.db2.gz WWBALZGMVCHNML-UHFFFAOYSA-N 1 1 302.462 4.280 20 30 DIEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCC1 ZINC000567558407 1044574749 /nfs/dbraw/zinc/57/47/49/1044574749.db2.gz BQYVGIXBMZZQEL-AWEZNQCLSA-N 1 1 311.454 4.170 20 30 DIEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)CCC1 ZINC000567558407 1044574759 /nfs/dbraw/zinc/57/47/59/1044574759.db2.gz BQYVGIXBMZZQEL-AWEZNQCLSA-N 1 1 311.454 4.170 20 30 DIEDMO COc1c(C)cc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1C ZINC000444625761 1044581063 /nfs/dbraw/zinc/58/10/63/1044581063.db2.gz PTOIGZCRBJKOMA-UHFFFAOYSA-N 1 1 302.462 4.464 20 30 DIEDMO C[C@@H]1CCC[N@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444646906 1044583921 /nfs/dbraw/zinc/58/39/21/1044583921.db2.gz KDJCIOUVUCSXMX-GOSISDBHSA-N 1 1 304.437 4.371 20 30 DIEDMO CCO[C@H](C)c1nc(C[N@H+](C)CCCCC(C)(C)C#N)cs1 ZINC000444644082 1044592330 /nfs/dbraw/zinc/59/23/30/1044592330.db2.gz DGIAWVUMGGOSMV-CQSZACIVSA-N 1 1 323.506 4.392 20 30 DIEDMO CCO[C@H](C)c1nc(C[N@@H+](C)CCCCC(C)(C)C#N)cs1 ZINC000444644082 1044592344 /nfs/dbraw/zinc/59/23/44/1044592344.db2.gz DGIAWVUMGGOSMV-CQSZACIVSA-N 1 1 323.506 4.392 20 30 DIEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000444664956 1044593864 /nfs/dbraw/zinc/59/38/64/1044593864.db2.gz OUPBUOQUYCXKBO-KSZLIROESA-N 1 1 305.510 4.044 20 30 DIEDMO C[C@]1(F)CC[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000444675009 1044597508 /nfs/dbraw/zinc/59/75/08/1044597508.db2.gz QDXCKYHKELDMRL-FQEVSTJZSA-N 1 1 322.427 4.320 20 30 DIEDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCCCC(C)(C)C#N ZINC000444681583 1044601259 /nfs/dbraw/zinc/60/12/59/1044601259.db2.gz VKWAMHVRMKQUAF-FUHWJXTLSA-N 1 1 300.446 4.168 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nc(-c3ccsc3)no2)CCCC1(C)C ZINC000444783900 1044620224 /nfs/dbraw/zinc/62/02/24/1044620224.db2.gz MJCYXKZSECHDJG-AWEZNQCLSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cccc(NC(C)=O)c2)CCCC1(C)C ZINC000444781216 1044620760 /nfs/dbraw/zinc/62/07/60/1044620760.db2.gz GKLYQEMRZFZACW-GOSISDBHSA-N 1 1 300.446 4.212 20 30 DIEDMO N#CCCC1CC[NH+](Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000568395944 1044621583 /nfs/dbraw/zinc/62/15/83/1044621583.db2.gz IMYYKHUNERRDNJ-UHFFFAOYSA-N 1 1 314.326 4.360 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2cccc(Cl)c2n1 ZINC001137226765 1044624686 /nfs/dbraw/zinc/62/46/86/1044624686.db2.gz XXLZOLPNDUMHFF-DVSIDAKKSA-N 1 1 311.816 4.155 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cccc(Cl)c2n1 ZINC001137226765 1044624687 /nfs/dbraw/zinc/62/46/87/1044624687.db2.gz XXLZOLPNDUMHFF-DVSIDAKKSA-N 1 1 311.816 4.155 20 30 DIEDMO C=CCc1cc(C[NH2+]Cc2cscc2Cl)cc(OC)c1O ZINC000886198918 1044624980 /nfs/dbraw/zinc/62/49/80/1044624980.db2.gz DUQJDRYGIZJJIN-UHFFFAOYSA-N 1 1 323.845 4.134 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(-c3ccccc3)n2C)CCCC1(C)C ZINC000444776182 1044625645 /nfs/dbraw/zinc/62/56/45/1044625645.db2.gz BIAFOYVBSOMATP-KRWDZBQOSA-N 1 1 324.472 4.049 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nc([C@@H](C)SCC)no2)CCCC1(C)C ZINC000444791419 1044629594 /nfs/dbraw/zinc/62/95/94/1044629594.db2.gz MRKLWVBHLWFVTI-ZIAGYGMSSA-N 1 1 323.506 4.450 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@@H](C)SCC)no2)CCCC1(C)C ZINC000444791419 1044629608 /nfs/dbraw/zinc/62/96/08/1044629608.db2.gz MRKLWVBHLWFVTI-ZIAGYGMSSA-N 1 1 323.506 4.450 20 30 DIEDMO CCn1c2ccccc2c2cc(C[NH2+]CC3(C#N)CC3)ccc21 ZINC000568584463 1044638734 /nfs/dbraw/zinc/63/87/34/1044638734.db2.gz CGTILMJOIKSSHQ-UHFFFAOYSA-N 1 1 303.409 4.208 20 30 DIEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1ccccc1 ZINC000886542486 1044659250 /nfs/dbraw/zinc/65/92/50/1044659250.db2.gz AWMQWSOJRINYME-HKUYNNGSSA-N 1 1 312.457 4.170 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc(F)c(F)c1 ZINC000886593904 1044666624 /nfs/dbraw/zinc/66/66/24/1044666624.db2.gz BKWNTJJGPQOXTO-SJORKVTESA-N 1 1 300.352 4.254 20 30 DIEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000886694424 1044684045 /nfs/dbraw/zinc/68/40/45/1044684045.db2.gz VYMSOUPHJSODTK-HNNXBMFYSA-N 1 1 305.491 4.036 20 30 DIEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717313 1044691161 /nfs/dbraw/zinc/69/11/61/1044691161.db2.gz ZMXUGMOQZABCNH-UONOGXRCSA-N 1 1 324.428 4.007 20 30 DIEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318303 1044694449 /nfs/dbraw/zinc/69/44/49/1044694449.db2.gz SPYUBHWGDZVYKH-SNVBAGLBSA-N 1 1 318.289 4.054 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCC1(F)F ZINC000569318303 1044694452 /nfs/dbraw/zinc/69/44/52/1044694452.db2.gz SPYUBHWGDZVYKH-SNVBAGLBSA-N 1 1 318.289 4.054 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000569884135 1044719660 /nfs/dbraw/zinc/71/96/60/1044719660.db2.gz NAFCRVOYMLWIAJ-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO C#Cc1ccc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)cc1 ZINC000368032273 1044763256 /nfs/dbraw/zinc/76/32/56/1044763256.db2.gz YDEXSHAEGKGRQI-OAQYLSRUSA-N 1 1 316.379 4.081 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000368187740 1044770340 /nfs/dbraw/zinc/77/03/40/1044770340.db2.gz IHEZMNQVHFDFCK-NSHDSACASA-N 1 1 313.264 4.341 20 30 DIEDMO COc1ccc2c(c1)C[N@H+](CCCCC#N)[C@H](c1ccccc1)C2 ZINC000121960895 1044770209 /nfs/dbraw/zinc/77/02/09/1044770209.db2.gz FMFWGHLJKRLARR-NRFANRHFSA-N 1 1 320.436 4.488 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000570606434 1044770405 /nfs/dbraw/zinc/77/04/05/1044770405.db2.gz PRZVZTMNRBCPRZ-QGZVFWFLSA-N 1 1 300.427 4.211 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000368187739 1044770423 /nfs/dbraw/zinc/77/04/23/1044770423.db2.gz IHEZMNQVHFDFCK-LLVKDONJSA-N 1 1 313.264 4.341 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251910 1044779385 /nfs/dbraw/zinc/77/93/85/1044779385.db2.gz RUJWZDHSSCXHQP-MJGOQNOKSA-N 1 1 320.436 4.124 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000123809216 1044788274 /nfs/dbraw/zinc/78/82/74/1044788274.db2.gz XLLKYOSHUWKFMW-RTBURBONSA-N 1 1 300.446 4.049 20 30 DIEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cc1 ZINC000124330689 1044792596 /nfs/dbraw/zinc/79/25/96/1044792596.db2.gz JIHYAQFXXHCIDG-AWEZNQCLSA-N 1 1 314.454 4.129 20 30 DIEDMO N#CCCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000264231529 1044859653 /nfs/dbraw/zinc/85/96/53/1044859653.db2.gz RXJSACLGAHHLEH-UHFFFAOYSA-N 1 1 304.191 4.103 20 30 DIEDMO CC(C)Cc1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000130559893 1044865553 /nfs/dbraw/zinc/86/55/53/1044865553.db2.gz BFQMGAMMHFEOTO-QGZVFWFLSA-N 1 1 313.470 4.476 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccccc1 ZINC000337185250 1044872776 /nfs/dbraw/zinc/87/27/76/1044872776.db2.gz OSPXOIPTZBXSKO-LJQANCHMSA-N 1 1 318.424 4.064 20 30 DIEDMO C[N@H+](Cc1ccc2ccccc2c1)Cc1ccc(C#N)cc1F ZINC000011286292 1044887160 /nfs/dbraw/zinc/88/71/60/1044887160.db2.gz CNCYLXUSFBOCOB-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C[N@@H+](Cc1ccc2ccccc2c1)Cc1ccc(C#N)cc1F ZINC000011286292 1044887181 /nfs/dbraw/zinc/88/71/81/1044887181.db2.gz CNCYLXUSFBOCOB-UHFFFAOYSA-N 1 1 304.368 4.483 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1 ZINC000372393184 1044912950 /nfs/dbraw/zinc/91/29/50/1044912950.db2.gz PTIAKGPHGCCRFN-KSSFIOAISA-N 1 1 312.438 4.376 20 30 DIEDMO C=CCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000524811946 1044926424 /nfs/dbraw/zinc/92/64/24/1044926424.db2.gz VFTQOKLSSJHCFS-QGZVFWFLSA-N 1 1 303.446 4.067 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000373117626 1044942565 /nfs/dbraw/zinc/94/25/65/1044942565.db2.gz IKYHZIVBBHGJHP-KRWDZBQOSA-N 1 1 310.445 4.003 20 30 DIEDMO C[C@@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)[C@H]1C ZINC000574468497 1044955306 /nfs/dbraw/zinc/95/53/06/1044955306.db2.gz KODNHDKQWPRFDD-MSOLQXFVSA-N 1 1 304.437 4.227 20 30 DIEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000411379617 1045002236 /nfs/dbraw/zinc/00/22/36/1045002236.db2.gz FMBDKXHHIQRCPX-ZDUSSCGKSA-N 1 1 308.347 4.487 20 30 DIEDMO N#Cc1ccc(C2=CC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cc1 ZINC000411443713 1045007668 /nfs/dbraw/zinc/00/76/68/1045007668.db2.gz SCTITNJZVZVYNH-NHCUHLMSSA-N 1 1 300.405 4.203 20 30 DIEDMO N#CC1(CC[N@H+]2CC[C@H](n3ncc4ccccc43)C2)CCCCC1 ZINC000411501852 1045014185 /nfs/dbraw/zinc/01/41/85/1045014185.db2.gz HSMSQPCOGPXAQS-SFHVURJKSA-N 1 1 322.456 4.147 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)Cc1ccccc1 ZINC000575907949 1045017488 /nfs/dbraw/zinc/01/74/88/1045017488.db2.gz WPGOVHGVKTZCRG-QGZVFWFLSA-N 1 1 313.441 4.029 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)o1 ZINC000411538297 1045018258 /nfs/dbraw/zinc/01/82/58/1045018258.db2.gz DLSXFMNUYPCDJF-KRWDZBQOSA-N 1 1 316.445 4.427 20 30 DIEDMO Cc1nc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)cs1 ZINC000411555883 1045019343 /nfs/dbraw/zinc/01/93/43/1045019343.db2.gz OAVRCFZNSAXQEL-MRXNPFEDSA-N 1 1 303.475 4.453 20 30 DIEDMO Cc1nc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)cs1 ZINC000411555883 1045019362 /nfs/dbraw/zinc/01/93/62/1045019362.db2.gz OAVRCFZNSAXQEL-MRXNPFEDSA-N 1 1 303.475 4.453 20 30 DIEDMO CC(C)O[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452701 1045021996 /nfs/dbraw/zinc/02/19/96/1045021996.db2.gz CVGWERUYRAFAON-HXUWFJFHSA-N 1 1 308.425 4.156 20 30 DIEDMO C=CCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000525328895 1045038553 /nfs/dbraw/zinc/03/85/53/1045038553.db2.gz SRMZFYWCIHJRKA-UHFFFAOYSA-N 1 1 315.244 4.220 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cn(-c3ccncc3)nc2C)CCCC1(C)C ZINC000446827050 1045047224 /nfs/dbraw/zinc/04/72/24/1045047224.db2.gz LYDXTIRTULTJCM-LJQANCHMSA-N 1 1 324.472 4.142 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2cn(-c3ccncc3)nc2C)CCCC1(C)C ZINC000446827050 1045047238 /nfs/dbraw/zinc/04/72/38/1045047238.db2.gz LYDXTIRTULTJCM-LJQANCHMSA-N 1 1 324.472 4.142 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(NC(C)=O)cc2)CCCC1(C)C ZINC000446829989 1045049091 /nfs/dbraw/zinc/04/90/91/1045049091.db2.gz NITJGQHCRYASKI-SFHVURJKSA-N 1 1 300.446 4.212 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1Cl ZINC000412036021 1045050027 /nfs/dbraw/zinc/05/00/27/1045050027.db2.gz GNAJVVTYTYBLBM-UHFFFAOYSA-N 1 1 314.816 4.047 20 30 DIEDMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1C#N ZINC000446851908 1045054397 /nfs/dbraw/zinc/05/43/97/1045054397.db2.gz LGUQBSFTHDNLDD-SFHVURJKSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cc(C[N@H+]2CCCC[C@H]2c2cccc(Cl)c2)cc1C#N ZINC000446851908 1045054408 /nfs/dbraw/zinc/05/44/08/1045054408.db2.gz LGUQBSFTHDNLDD-SFHVURJKSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cc(C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1C#N ZINC000446851905 1045055280 /nfs/dbraw/zinc/05/52/80/1045055280.db2.gz LGUQBSFTHDNLDD-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2cccc(Cl)c2)cc1C#N ZINC000446851905 1045055295 /nfs/dbraw/zinc/05/52/95/1045055295.db2.gz LGUQBSFTHDNLDD-GOSISDBHSA-N 1 1 313.832 4.277 20 30 DIEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCCC1 ZINC000153664854 1045059585 /nfs/dbraw/zinc/05/95/85/1045059585.db2.gz NOACOXRERRBGLS-UHFFFAOYSA-N 1 1 322.456 4.228 20 30 DIEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000576790516 1045080352 /nfs/dbraw/zinc/08/03/52/1045080352.db2.gz XVVPVAOUKPCVRS-KSSFIOAISA-N 1 1 310.397 4.133 20 30 DIEDMO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)o1 ZINC000152261968 1045098397 /nfs/dbraw/zinc/09/83/97/1045098397.db2.gz JQYSUQATVUUITF-HNNXBMFYSA-N 1 1 309.413 4.451 20 30 DIEDMO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NCc1ccc(C#N)o1 ZINC000152261968 1045098410 /nfs/dbraw/zinc/09/84/10/1045098410.db2.gz JQYSUQATVUUITF-HNNXBMFYSA-N 1 1 309.413 4.451 20 30 DIEDMO C[C@@H](CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734157 1045170540 /nfs/dbraw/zinc/17/05/40/1045170540.db2.gz TZSOVBNYUUQMLL-UWJYYQICSA-N 1 1 320.436 4.125 20 30 DIEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000577789150 1045171033 /nfs/dbraw/zinc/17/10/33/1045171033.db2.gz HZKYDQOWUMTIRG-IAGOWNOFSA-N 1 1 311.454 4.173 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001258049984 1045174865 /nfs/dbraw/zinc/17/48/65/1045174865.db2.gz QVRVQJJJZCPHEF-GOSISDBHSA-N 1 1 310.526 4.316 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000448252466 1045223218 /nfs/dbraw/zinc/22/32/18/1045223218.db2.gz PDRWLLLOEJXVHE-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000448252466 1045223231 /nfs/dbraw/zinc/22/32/31/1045223231.db2.gz PDRWLLLOEJXVHE-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1Cl ZINC000448369938 1045238912 /nfs/dbraw/zinc/23/89/12/1045238912.db2.gz DBQBPPNUOWJEQB-GOEBONIOSA-N 1 1 323.864 4.030 20 30 DIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000116381818 1045248325 /nfs/dbraw/zinc/24/83/25/1045248325.db2.gz JQTHYHIEVLREBD-UHFFFAOYSA-N 1 1 302.443 4.041 20 30 DIEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1F ZINC000527971288 1045286941 /nfs/dbraw/zinc/28/69/41/1045286941.db2.gz ZOYYBFLLNFECKH-ORAYPTAESA-N 1 1 309.388 4.284 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000216168180 1045301444 /nfs/dbraw/zinc/30/14/44/1045301444.db2.gz FLEUYLYAVBEBJU-LLVKDONJSA-N 1 1 315.244 4.218 20 30 DIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536043 1045322496 /nfs/dbraw/zinc/32/24/96/1045322496.db2.gz UVOJGWVMBCLSKJ-RDTXWAMCSA-N 1 1 311.454 4.296 20 30 DIEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536043 1045322502 /nfs/dbraw/zinc/32/25/02/1045322502.db2.gz UVOJGWVMBCLSKJ-RDTXWAMCSA-N 1 1 311.454 4.296 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C#N)cs1 ZINC000449364508 1045382238 /nfs/dbraw/zinc/38/22/38/1045382238.db2.gz RATYFHCEXCHOEE-HOSYDEDBSA-N 1 1 302.365 4.171 20 30 DIEDMO N#C[C@@H]1C[N@@H+](Cc2cccc3ccoc32)C[C@H]1c1ccccc1 ZINC000449341496 1045377860 /nfs/dbraw/zinc/37/78/60/1045377860.db2.gz UMXJJKGFPYUKAF-MOPGFXCFSA-N 1 1 302.377 4.172 20 30 DIEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000475658143 1045426226 /nfs/dbraw/zinc/42/62/26/1045426226.db2.gz CXHKHSILVZMTDS-HKUYNNGSSA-N 1 1 314.473 4.027 20 30 DIEDMO C[C@@H]1C[C@H](Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000449699370 1045428119 /nfs/dbraw/zinc/42/81/19/1045428119.db2.gz OUORGTHWFSAIQG-DYESRHJHSA-N 1 1 319.452 4.218 20 30 DIEDMO C=C(CC)C[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000449731365 1045430965 /nfs/dbraw/zinc/43/09/65/1045430965.db2.gz IJFQABWRVLIECB-UHFFFAOYSA-N 1 1 302.443 4.086 20 30 DIEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000487532952 1045477855 /nfs/dbraw/zinc/47/78/55/1045477855.db2.gz FYOPTABWNWKFNS-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000529680212 1045512424 /nfs/dbraw/zinc/51/24/24/1045512424.db2.gz NRTJUWUYZLHOGU-UHFFFAOYSA-N 1 1 310.363 4.393 20 30 DIEDMO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]Cc1cncc(C#N)c1 ZINC001119849103 1045527144 /nfs/dbraw/zinc/52/71/44/1045527144.db2.gz DFFHZMXVMCZLMC-MRXNPFEDSA-N 1 1 319.330 4.045 20 30 DIEDMO C[C@H](C#N)C[N@H+](Cc1ccc([C@H](C)C(F)(F)F)cc1)C1CC1 ZINC000450620874 1045527258 /nfs/dbraw/zinc/52/72/58/1045527258.db2.gz YWCRDPOYUQTTDY-OLZOCXBDSA-N 1 1 310.363 4.476 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc([C@H](C)C(F)(F)F)cc1)C1CC1 ZINC000450620874 1045527269 /nfs/dbraw/zinc/52/72/69/1045527269.db2.gz YWCRDPOYUQTTDY-OLZOCXBDSA-N 1 1 310.363 4.476 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@H+](CC/C=C\c3ccccc3)CCO2)c1 ZINC000450653228 1045537338 /nfs/dbraw/zinc/53/73/38/1045537338.db2.gz VNBGAGOTZSDNEA-ZDOMYAHNSA-N 1 1 318.420 4.035 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@@H+](CC/C=C\c3ccccc3)CCO2)c1 ZINC000450653228 1045537350 /nfs/dbraw/zinc/53/73/50/1045537350.db2.gz VNBGAGOTZSDNEA-ZDOMYAHNSA-N 1 1 318.420 4.035 20 30 DIEDMO CCCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450677930 1045550065 /nfs/dbraw/zinc/55/00/65/1045550065.db2.gz RUXBDBXCZUBHPZ-HNNXBMFYSA-N 1 1 316.445 4.219 20 30 DIEDMO CCCC[N@H+]1Cc2ccc(N=Cc3cc(OC)ccc3O)cc2C1 ZINC000750950100 1045573696 /nfs/dbraw/zinc/57/36/96/1045573696.db2.gz OPGYAWJLTVTWDL-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(Br)cc2)C1 ZINC001460289003 1045590261 /nfs/dbraw/zinc/59/02/61/1045590261.db2.gz HLCZXNZNZGZZNZ-UONOGXRCSA-N 1 1 306.247 4.245 20 30 DIEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccccc3C(C)(C)C#N)c2C[C@H]1C ZINC000450995274 1045603361 /nfs/dbraw/zinc/60/33/61/1045603361.db2.gz DWAQGIYWLGRKAA-HUUCEWRRSA-N 1 1 307.441 4.103 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000751512333 1045609129 /nfs/dbraw/zinc/60/91/29/1045609129.db2.gz DAZZTHBKKCIRQT-WCIBSUBMSA-N 1 1 306.340 4.216 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000451150946 1045636298 /nfs/dbraw/zinc/63/62/98/1045636298.db2.gz YENDRUWPYLOMME-DMDPSCGWSA-N 1 1 314.326 4.249 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(C)ccc1OC ZINC000093405771 1045654912 /nfs/dbraw/zinc/65/49/12/1045654912.db2.gz GQHGJWCSOWIXEZ-GOSISDBHSA-N 1 1 312.388 4.255 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000530411977 1045661056 /nfs/dbraw/zinc/66/10/56/1045661056.db2.gz FSULWPKSUSPGEY-OAQYLSRUSA-N 1 1 318.420 4.029 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000530411977 1045661065 /nfs/dbraw/zinc/66/10/65/1045661065.db2.gz FSULWPKSUSPGEY-OAQYLSRUSA-N 1 1 318.420 4.029 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1O ZINC000800990927 1045677543 /nfs/dbraw/zinc/67/75/43/1045677543.db2.gz VSIOCXMRKUJDHD-SECBINFHSA-N 1 1 322.742 4.046 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cc(F)cc(F)c1O ZINC000800990928 1045677952 /nfs/dbraw/zinc/67/79/52/1045677952.db2.gz VSIOCXMRKUJDHD-VIFPVBQESA-N 1 1 322.742 4.046 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451570391 1045696540 /nfs/dbraw/zinc/69/65/40/1045696540.db2.gz PZFZTVMVKYXDPW-AWEZNQCLSA-N 1 1 321.262 4.178 20 30 DIEDMO Cc1cc(N)cc(C)c1C=[NH+]Nc1cccc(C(F)(F)F)c1 ZINC000752717926 1045698414 /nfs/dbraw/zinc/69/84/14/1045698414.db2.gz JZXVPCWHMKKXQP-UHFFFAOYSA-N 1 1 307.319 4.350 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451980223 1045755996 /nfs/dbraw/zinc/75/59/96/1045755996.db2.gz QQVXLPSSNNOEKB-IBGZPJMESA-N 1 1 314.498 4.207 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000753537312 1045758299 /nfs/dbraw/zinc/75/82/99/1045758299.db2.gz UGJWGFSOKSUUDY-UHFFFAOYSA-N 1 1 324.424 4.095 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC000753537312 1045758314 /nfs/dbraw/zinc/75/83/14/1045758314.db2.gz UGJWGFSOKSUUDY-UHFFFAOYSA-N 1 1 324.424 4.095 20 30 DIEDMO Cc1cccc([C@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000753591421 1045769399 /nfs/dbraw/zinc/76/93/99/1045769399.db2.gz PZLBZMUMLIJKOC-XLIONFOSSA-N 1 1 320.436 4.275 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000753590695 1045769445 /nfs/dbraw/zinc/76/94/45/1045769445.db2.gz OTJHALPSTFLWDG-CYBMUJFWSA-N 1 1 320.314 4.160 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)cc1 ZINC000753586622 1045769750 /nfs/dbraw/zinc/76/97/50/1045769750.db2.gz BRJWONGIQZKMFT-YLJYHZDGSA-N 1 1 320.436 4.275 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(F)cc1Cl ZINC000192157729 1045787717 /nfs/dbraw/zinc/78/77/17/1045787717.db2.gz PONUYELROKJUKT-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000192182270 1045790664 /nfs/dbraw/zinc/79/06/64/1045790664.db2.gz RVVNBMRQPNLACP-LLVKDONJSA-N 1 1 317.433 4.302 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000192251749 1045795442 /nfs/dbraw/zinc/79/54/42/1045795442.db2.gz ADEDOQSMSIJZLT-UHFFFAOYSA-N 1 1 321.262 4.137 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1 ZINC000531209488 1045800109 /nfs/dbraw/zinc/80/01/09/1045800109.db2.gz NUVXPKHWASOQJK-AQAFXJLISA-N 1 1 302.421 4.472 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC000531209488 1045800120 /nfs/dbraw/zinc/80/01/20/1045800120.db2.gz NUVXPKHWASOQJK-AQAFXJLISA-N 1 1 302.421 4.472 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000801918498 1045835806 /nfs/dbraw/zinc/83/58/06/1045835806.db2.gz PHVTVQKBERVHKN-HOTGVXAUSA-N 1 1 308.425 4.294 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912977 1045836927 /nfs/dbraw/zinc/83/69/27/1045836927.db2.gz KNFBESAQRUSBMO-MAUKXSAKSA-N 1 1 300.446 4.050 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000801912979 1045837015 /nfs/dbraw/zinc/83/70/15/1045837015.db2.gz KNFBESAQRUSBMO-YJBOKZPZSA-N 1 1 300.446 4.050 20 30 DIEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000801921638 1045839654 /nfs/dbraw/zinc/83/96/54/1045839654.db2.gz IEKSFTFRTSOZBQ-RHSMWYFYSA-N 1 1 306.837 4.186 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000801921640 1045841234 /nfs/dbraw/zinc/84/12/34/1045841234.db2.gz IEKSFTFRTSOZBQ-YOEHRIQHSA-N 1 1 306.837 4.186 20 30 DIEDMO CC(C)(C)SCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000801925273 1045846548 /nfs/dbraw/zinc/84/65/48/1045846548.db2.gz KORJZIMLUUWGQL-IAGOWNOFSA-N 1 1 302.487 4.290 20 30 DIEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1Br ZINC001137615255 1045908431 /nfs/dbraw/zinc/90/84/31/1045908431.db2.gz KUCCELYVCQXUFU-UHFFFAOYSA-N 1 1 321.262 4.416 20 30 DIEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC001137636883 1045913607 /nfs/dbraw/zinc/91/36/07/1045913607.db2.gz QSNOKANUPYVWPM-GFCCVEGCSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)c(OC)c1 ZINC000754720220 1045917967 /nfs/dbraw/zinc/91/79/67/1045917967.db2.gz MYGKFYSURYHYCH-GOSISDBHSA-N 1 1 323.436 4.119 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c(OC)c1 ZINC000754726460 1045920719 /nfs/dbraw/zinc/92/07/19/1045920719.db2.gz PFFPUTAMYQPGBA-GOSISDBHSA-N 1 1 309.409 4.076 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc(C)s2)c(O)c(OC)c1 ZINC000754727250 1045921710 /nfs/dbraw/zinc/92/17/10/1045921710.db2.gz TZTIQIKOXCBOQJ-UHFFFAOYSA-N 1 1 317.454 4.131 20 30 DIEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000754737769 1045922613 /nfs/dbraw/zinc/92/26/13/1045922613.db2.gz VFDSBOUALWRNGO-UXHICEINSA-N 1 1 320.436 4.281 20 30 DIEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001206596931 1045951289 /nfs/dbraw/zinc/95/12/89/1045951289.db2.gz ASPPWOGMZPCDAN-ZDUSSCGKSA-N 1 1 324.262 4.251 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001206596931 1045951296 /nfs/dbraw/zinc/95/12/96/1045951296.db2.gz ASPPWOGMZPCDAN-ZDUSSCGKSA-N 1 1 324.262 4.251 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)c(C#N)c1 ZINC001137698206 1045938042 /nfs/dbraw/zinc/93/80/42/1045938042.db2.gz NWNVQXVBOVKFDY-FQEVSTJZSA-N 1 1 306.409 4.212 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001206596931 1045951281 /nfs/dbraw/zinc/95/12/81/1045951281.db2.gz ASPPWOGMZPCDAN-ZDUSSCGKSA-N 1 1 324.262 4.251 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC001206596930 1045951158 /nfs/dbraw/zinc/95/11/58/1045951158.db2.gz ASPPWOGMZPCDAN-CYBMUJFWSA-N 1 1 324.262 4.251 20 30 DIEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001206596930 1045951164 /nfs/dbraw/zinc/95/11/64/1045951164.db2.gz ASPPWOGMZPCDAN-CYBMUJFWSA-N 1 1 324.262 4.251 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC001206596930 1045951171 /nfs/dbraw/zinc/95/11/71/1045951171.db2.gz ASPPWOGMZPCDAN-CYBMUJFWSA-N 1 1 324.262 4.251 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1-c1ccccc1 ZINC001137858030 1045986991 /nfs/dbraw/zinc/98/69/91/1045986991.db2.gz UFCCWPNBPMUNKW-GOSISDBHSA-N 1 1 307.441 4.220 20 30 DIEDMO CN(C)c1ncc(C=[NH+]N(c2ccccc2)c2ccccc2)s1 ZINC000755465967 1045990826 /nfs/dbraw/zinc/99/08/26/1045990826.db2.gz RCRNINJWPCMBIH-UHFFFAOYSA-N 1 1 322.437 4.381 20 30 DIEDMO Cc1ccc2nc(Cl)c(C[NH+]3CCC(C)(C#N)CC3)cc2c1 ZINC001137922984 1046018838 /nfs/dbraw/zinc/01/88/38/1046018838.db2.gz UYTZHKWAGYZEQJ-UHFFFAOYSA-N 1 1 313.832 4.322 20 30 DIEDMO N#CCCC[C@@H]([NH2+]Cc1csc(Cl)n1)c1ccccc1 ZINC000830018736 1046032259 /nfs/dbraw/zinc/03/22/59/1046032259.db2.gz SWYFBTNQTJURAE-CQSZACIVSA-N 1 1 305.834 4.321 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1F ZINC001138010121 1046053617 /nfs/dbraw/zinc/05/36/17/1046053617.db2.gz SZYVNUUNKPMWEO-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C(F)(F)F)c1F ZINC001138010121 1046053632 /nfs/dbraw/zinc/05/36/32/1046053632.db2.gz SZYVNUUNKPMWEO-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000453354595 1046055070 /nfs/dbraw/zinc/05/50/70/1046055070.db2.gz JZRGAHQPKJQVQW-ZWKOTPCHSA-N 1 1 300.471 4.228 20 30 DIEDMO COc1cccc(N=NC(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000779766373 1046059310 /nfs/dbraw/zinc/05/93/10/1046059310.db2.gz FHQOYCUBFNPERB-GOSISDBHSA-N 1 1 323.440 4.005 20 30 DIEDMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902756088 1046063127 /nfs/dbraw/zinc/06/31/27/1046063127.db2.gz BMYCJZFOWHTKJY-CXAGYDPISA-N 1 1 309.413 4.219 20 30 DIEDMO CC(C)CCOc1ccccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902783422 1046067040 /nfs/dbraw/zinc/06/70/40/1046067040.db2.gz DEAPJINCXYWDSY-MRXNPFEDSA-N 1 1 323.440 4.229 20 30 DIEDMO CCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1F ZINC000902840612 1046082290 /nfs/dbraw/zinc/08/22/90/1046082290.db2.gz DTLYWPDCAANSEI-SJCJKPOMSA-N 1 1 315.367 4.423 20 30 DIEDMO CC[C@H]([NH2+]C1(c2nc(C)cs2)CCC1)c1cccc(C#N)c1 ZINC000902908417 1046106918 /nfs/dbraw/zinc/10/69/18/1046106918.db2.gz MTGOMNWSZPIJSM-INIZCTEOSA-N 1 1 311.454 4.443 20 30 DIEDMO CCCC[N@H+](C)c1ccc(N[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902938185 1046116252 /nfs/dbraw/zinc/11/62/52/1046116252.db2.gz PTMBMNFMEARDRP-HNNXBMFYSA-N 1 1 308.429 4.363 20 30 DIEDMO CCCC[N@@H+](C)c1ccc(N[C@@H](C)c2cc(C#N)ccn2)cc1 ZINC000902938185 1046116253 /nfs/dbraw/zinc/11/62/53/1046116253.db2.gz PTMBMNFMEARDRP-HNNXBMFYSA-N 1 1 308.429 4.363 20 30 DIEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)c(Cl)c1 ZINC000903106624 1046165671 /nfs/dbraw/zinc/16/56/71/1046165671.db2.gz SYSWTCOHLLAHGH-SECBINFHSA-N 1 1 313.626 4.057 20 30 DIEDMO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc(C#N)c1 ZINC000902949697 1046125438 /nfs/dbraw/zinc/12/54/38/1046125438.db2.gz AYBMEDOINANCKB-HOTGVXAUSA-N 1 1 314.335 4.011 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000689223912 1046145210 /nfs/dbraw/zinc/14/52/10/1046145210.db2.gz JFIBYESXQIMBKL-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO C[C@H]([NH2+]C1(c2ccccc2Cl)CCC1)c1cc(C#N)ccn1 ZINC000903038260 1046147109 /nfs/dbraw/zinc/14/71/09/1046147109.db2.gz IVAWSRTWOXYGGP-ZDUSSCGKSA-N 1 1 311.816 4.337 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CCCC1 ZINC000756912289 1046151556 /nfs/dbraw/zinc/15/15/56/1046151556.db2.gz OZLGJLFGYPBXDM-UHFFFAOYSA-N 1 1 320.436 4.038 20 30 DIEDMO FC1(F)C[C@@]12CC[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001138336166 1046153217 /nfs/dbraw/zinc/15/32/17/1046153217.db2.gz LOQSWYJMBUTPPO-HXUWFJFHSA-N 1 1 323.386 4.318 20 30 DIEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)CC1 ZINC001138336696 1046153487 /nfs/dbraw/zinc/15/34/87/1046153487.db2.gz WHFSTIJPBRLLTN-QFIPXVFZSA-N 1 1 319.448 4.087 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000831624405 1046153530 /nfs/dbraw/zinc/15/35/30/1046153530.db2.gz VRQWOPYJMZCJOB-GOSISDBHSA-N 1 1 322.537 4.460 20 30 DIEDMO C#CCOc1ccc(C[N@@H+](CCC)Cc2ccccc2)cc1OC ZINC001138346017 1046155426 /nfs/dbraw/zinc/15/54/26/1046155426.db2.gz ULKBOOCKYRPEKS-UHFFFAOYSA-N 1 1 323.436 4.119 20 30 DIEDMO Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100571 1046162896 /nfs/dbraw/zinc/16/28/96/1046162896.db2.gz UEOQLIRBAJFQCW-ZDUSSCGKSA-N 1 1 313.470 4.243 20 30 DIEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000903100336 1046163080 /nfs/dbraw/zinc/16/30/80/1046163080.db2.gz OENHCHAFEJFZPT-AWEZNQCLSA-N 1 1 303.425 4.016 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc2c(ccnc2Cl)o1 ZINC000903108438 1046164701 /nfs/dbraw/zinc/16/47/01/1046164701.db2.gz CREVGSHAXHMKPZ-NSHDSACASA-N 1 1 303.793 4.216 20 30 DIEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(CC2CCC2)c1 ZINC000903127249 1046169607 /nfs/dbraw/zinc/16/96/07/1046169607.db2.gz HKTGNVWPYGINRQ-JXFKEZNVSA-N 1 1 322.456 4.379 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)s1)c1cccc(Cl)c1 ZINC000903146707 1046175682 /nfs/dbraw/zinc/17/56/82/1046175682.db2.gz JMQHQIIGYROSAX-CQSZACIVSA-N 1 1 307.850 4.297 20 30 DIEDMO N#CCCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903176201 1046182607 /nfs/dbraw/zinc/18/26/07/1046182607.db2.gz ZKIJWELIZYFWHI-KRIYCRJKSA-N 1 1 323.484 4.169 20 30 DIEDMO N#CCCC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903176201 1046182612 /nfs/dbraw/zinc/18/26/12/1046182612.db2.gz ZKIJWELIZYFWHI-KRIYCRJKSA-N 1 1 323.484 4.169 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1 ZINC000903178576 1046185046 /nfs/dbraw/zinc/18/50/46/1046185046.db2.gz XCMXQZWPHKEGTB-OAHLLOKOSA-N 1 1 316.836 4.133 20 30 DIEDMO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc(C)sc1C ZINC000903262925 1046212846 /nfs/dbraw/zinc/21/28/46/1046212846.db2.gz JKTIKWAIFOOTBX-CQSZACIVSA-N 1 1 305.472 4.324 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC001138559063 1046224925 /nfs/dbraw/zinc/22/49/25/1046224925.db2.gz NOUSDJDKLHNOSF-HXUWFJFHSA-N 1 1 309.384 4.175 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cc1 ZINC001138559644 1046226384 /nfs/dbraw/zinc/22/63/84/1046226384.db2.gz ZMIXENBCXMDQQH-HXUWFJFHSA-N 1 1 309.384 4.175 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)C1 ZINC000903297740 1046228399 /nfs/dbraw/zinc/22/83/99/1046228399.db2.gz JMZVFBJVGNAMBC-UWJYYQICSA-N 1 1 319.452 4.390 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000783745380 1046234549 /nfs/dbraw/zinc/23/45/49/1046234549.db2.gz MQBNXBCHTDSELC-UHFFFAOYSA-N 1 1 311.473 4.193 20 30 DIEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H](C)c1cccc(O)c1 ZINC000245512509 1046239522 /nfs/dbraw/zinc/23/95/22/1046239522.db2.gz AARVPASWQYZVNT-HZPDHXFCSA-N 1 1 324.424 4.266 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H](CC#N)C3)c2)cc1 ZINC001138614703 1046240735 /nfs/dbraw/zinc/24/07/35/1046240735.db2.gz DUJTYTXWUQEMGV-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000245544274 1046242314 /nfs/dbraw/zinc/24/23/14/1046242314.db2.gz RUVGPCOCLZVXGI-XLIONFOSSA-N 1 1 320.436 4.042 20 30 DIEDMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](CC#N)C3)c2)cc1 ZINC001138614702 1046242676 /nfs/dbraw/zinc/24/26/76/1046242676.db2.gz DUJTYTXWUQEMGV-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCSc3ccccc3C2)c1O ZINC001138630000 1046250095 /nfs/dbraw/zinc/25/00/95/1046250095.db2.gz MZXOFAAUZFTTQA-UHFFFAOYSA-N 1 1 311.450 4.229 20 30 DIEDMO C[N@@H+](Cc1cccn1-c1ccccc1F)Cc1cccc(C#N)c1 ZINC001138635743 1046252876 /nfs/dbraw/zinc/25/28/76/1046252876.db2.gz HONBEKBXOSLYHG-UHFFFAOYSA-N 1 1 319.383 4.120 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001138664637 1046259176 /nfs/dbraw/zinc/25/91/76/1046259176.db2.gz SRHRUJFHHVDFLK-GOSISDBHSA-N 1 1 308.425 4.026 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001138663631 1046259490 /nfs/dbraw/zinc/25/94/90/1046259490.db2.gz ATOQIYJAQQUANR-NRFANRHFSA-N 1 1 323.436 4.215 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001138663631 1046259496 /nfs/dbraw/zinc/25/94/96/1046259496.db2.gz ATOQIYJAQQUANR-NRFANRHFSA-N 1 1 323.436 4.215 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](CC)Cc1ccccc1O ZINC001138665669 1046259634 /nfs/dbraw/zinc/25/96/34/1046259634.db2.gz SFJRUPXXHGLOOW-UHFFFAOYSA-N 1 1 311.425 4.369 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1C(C)(C)OC ZINC001138665730 1046259956 /nfs/dbraw/zinc/25/99/56/1046259956.db2.gz VSNNDYGCBCQQFI-SFHVURJKSA-N 1 1 303.446 4.031 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001138662237 1046261174 /nfs/dbraw/zinc/26/11/74/1046261174.db2.gz QZKAHUOFLBYUHA-IYBDPMFKSA-N 1 1 307.384 4.119 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)cc1 ZINC000245718266 1046261628 /nfs/dbraw/zinc/26/16/28/1046261628.db2.gz HMLQTPBKZKFWDP-MBOZVWFJSA-N 1 1 320.436 4.355 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000758415517 1046266878 /nfs/dbraw/zinc/26/68/78/1046266878.db2.gz KMVPXNFNXSGMMN-OAHLLOKOSA-N 1 1 310.397 4.290 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138779466 1046292096 /nfs/dbraw/zinc/29/20/96/1046292096.db2.gz KOOPDIJXAYGDPX-GOSISDBHSA-N 1 1 307.482 4.375 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000246065796 1046298233 /nfs/dbraw/zinc/29/82/33/1046298233.db2.gz ROSHNAIGPSNKAY-LEWJYISDSA-N 1 1 320.436 4.046 20 30 DIEDMO C=CCCn1cc(C[NH2+][C@H](c2ccccc2C)C(C)(C)C)nn1 ZINC000653606521 1046303957 /nfs/dbraw/zinc/30/39/57/1046303957.db2.gz ORSNFYGVMIDQGW-GOSISDBHSA-N 1 1 312.461 4.040 20 30 DIEDMO CCCCOc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001138952872 1046338755 /nfs/dbraw/zinc/33/87/55/1046338755.db2.gz ZRUSTWPLAFIFQT-UHFFFAOYSA-N 1 1 320.436 4.295 20 30 DIEDMO CC(C)COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001138968350 1046345001 /nfs/dbraw/zinc/34/50/01/1046345001.db2.gz SIFSHLQVFPODKL-UHFFFAOYSA-N 1 1 320.436 4.151 20 30 DIEDMO CC(C)COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001138971028 1046345879 /nfs/dbraw/zinc/34/58/79/1046345879.db2.gz DPFQTSUYOSZCIB-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)c2cccc(C#N)c2)o1 ZINC000248892797 1046354896 /nfs/dbraw/zinc/35/48/96/1046354896.db2.gz FYCJOLNJHIUACM-KDOFPFPSSA-N 1 1 310.397 4.196 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001139030066 1046363604 /nfs/dbraw/zinc/36/36/04/1046363604.db2.gz FPJPJDOZQJLSTM-HDICACEKSA-N 1 1 305.421 4.338 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)c1ccccc1OC ZINC001139030177 1046364122 /nfs/dbraw/zinc/36/41/22/1046364122.db2.gz HDHZWFPRTMWFFK-INIZCTEOSA-N 1 1 311.425 4.453 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)c1ccccc1OC ZINC001139030177 1046364133 /nfs/dbraw/zinc/36/41/33/1046364133.db2.gz HDHZWFPRTMWFFK-INIZCTEOSA-N 1 1 311.425 4.453 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001139036450 1046367815 /nfs/dbraw/zinc/36/78/15/1046367815.db2.gz PSPHDDZCNDPGEC-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)nc1 ZINC000780557128 1046393962 /nfs/dbraw/zinc/39/39/62/1046393962.db2.gz UOKXZWXDICVZKF-UHFFFAOYSA-N 1 1 323.783 4.156 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2cccnc2c1)[C@@H]1CCc2ccccc21 ZINC001139168664 1046399794 /nfs/dbraw/zinc/39/97/94/1046399794.db2.gz UJISAPPGIVJOIW-JOCHJYFZSA-N 1 1 312.416 4.358 20 30 DIEDMO COCCO[NH+]=C(C)c1ccc2c(c1)Nc1ccccc1S2 ZINC000748790843 1046403901 /nfs/dbraw/zinc/40/39/01/1046403901.db2.gz AVAHEILHLHIADV-UHFFFAOYSA-N 1 1 314.410 4.282 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc2cc(Br)ccc2[nH]1 ZINC001139184782 1046404731 /nfs/dbraw/zinc/40/47/31/1046404731.db2.gz HLGAMXUXOMWZJU-UHFFFAOYSA-N 1 1 307.235 4.328 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2nonc2c1)C1CCCCCCC1 ZINC001139221189 1046416989 /nfs/dbraw/zinc/41/69/89/1046416989.db2.gz DQUJQCFBTPLYOV-UHFFFAOYSA-N 1 1 312.417 4.051 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc(O)ccc2c1 ZINC001139337971 1046431253 /nfs/dbraw/zinc/43/12/53/1046431253.db2.gz LKCGTPJUOZOONT-UHFFFAOYSA-N 1 1 302.377 4.049 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(SC(F)(F)F)c1)CC1CC1 ZINC000781332108 1046441308 /nfs/dbraw/zinc/44/13/08/1046441308.db2.gz RISIPCIKPXQJPC-UHFFFAOYSA-N 1 1 314.376 4.424 20 30 DIEDMO N#CCC[N@H+](Cc1cccc(SC(F)(F)F)c1)CC1CC1 ZINC000781332108 1046441310 /nfs/dbraw/zinc/44/13/10/1046441310.db2.gz RISIPCIKPXQJPC-UHFFFAOYSA-N 1 1 314.376 4.424 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@H]4CCC[C@@H]4C3)cc2)c1 ZINC001139402833 1046443449 /nfs/dbraw/zinc/44/34/49/1046443449.db2.gz YSRZMQUVYHFOQJ-UYAOXDASSA-N 1 1 317.436 4.242 20 30 DIEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC1 ZINC001139400045 1046443925 /nfs/dbraw/zinc/44/39/25/1046443925.db2.gz DDBUBWQAACUPTI-HXUWFJFHSA-N 1 1 323.415 4.334 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)[C@@H](C)C1 ZINC001139407169 1046445549 /nfs/dbraw/zinc/44/55/49/1046445549.db2.gz SMSWJGTWUVPWDT-CVEARBPZSA-N 1 1 305.425 4.241 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@@H+](CC3CC3)C3CC3)cn2)cc1 ZINC001139428889 1046451272 /nfs/dbraw/zinc/45/12/72/1046451272.db2.gz PIAOSJSDIXNCED-UHFFFAOYSA-N 1 1 319.408 4.120 20 30 DIEDMO CCCCCCCC[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC001139488880 1046456206 /nfs/dbraw/zinc/45/62/06/1046456206.db2.gz RQMSSFZBMXTFTR-UHFFFAOYSA-N 1 1 314.477 4.119 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC001139488880 1046456211 /nfs/dbraw/zinc/45/62/11/1046456211.db2.gz RQMSSFZBMXTFTR-UHFFFAOYSA-N 1 1 314.477 4.119 20 30 DIEDMO C=CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC001139523890 1046463593 /nfs/dbraw/zinc/46/35/93/1046463593.db2.gz UXYFOOACLKRVBH-UHFFFAOYSA-N 1 1 300.402 4.042 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]c2ncc(C(F)(F)F)cc12)C(C)(C)C ZINC001139543332 1046468537 /nfs/dbraw/zinc/46/85/37/1046468537.db2.gz XLMMJROWQPGDAJ-UHFFFAOYSA-N 1 1 311.351 4.368 20 30 DIEDMO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1C(C)C ZINC001139614973 1046486195 /nfs/dbraw/zinc/48/61/95/1046486195.db2.gz KMKPJVSDALIONS-UHFFFAOYSA-N 1 1 320.436 4.249 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](CSC)c1ccc(C(F)(F)F)cc1 ZINC000781905902 1046486641 /nfs/dbraw/zinc/48/66/41/1046486641.db2.gz RJVHMMNXRRMJPB-GFCCVEGCSA-N 1 1 309.784 4.452 20 30 DIEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929186 1046488088 /nfs/dbraw/zinc/48/80/88/1046488088.db2.gz 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ZINC001139691637 1046499945 /nfs/dbraw/zinc/49/99/45/1046499945.db2.gz CBRBTAIGZPCHOQ-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+](Cc3ccccc3)C3CC3)c[nH]c21 ZINC001139706492 1046500811 /nfs/dbraw/zinc/50/08/11/1046500811.db2.gz WFTXNZYCXSHTOC-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO N#Cc1cccc2c(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)c[nH]c21 ZINC001139706293 1046502484 /nfs/dbraw/zinc/50/24/84/1046502484.db2.gz PZVAUNPRHXUGLW-INIZCTEOSA-N 1 1 319.383 4.168 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1C#N ZINC001139723042 1046503490 /nfs/dbraw/zinc/50/34/90/1046503490.db2.gz PJBDUTZMYPGTJQ-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1C#N ZINC001139723042 1046503499 /nfs/dbraw/zinc/50/34/99/1046503499.db2.gz PJBDUTZMYPGTJQ-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO COc1ccc(C2=CC[N@@H+](Cc3ccc(C)c(C#N)c3)CC2)cc1 ZINC001139727593 1046507157 /nfs/dbraw/zinc/50/71/57/1046507157.db2.gz WCZCPRVDUQOZQN-UHFFFAOYSA-N 1 1 318.420 4.165 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)Cc1cnn(CCOC)c1 ZINC001139783896 1046516637 /nfs/dbraw/zinc/51/66/37/1046516637.db2.gz UTLVXMBWIZRPNN-UHFFFAOYSA-N 1 1 309.498 4.102 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCCC[C@H]21 ZINC000782501865 1046529989 /nfs/dbraw/zinc/52/99/89/1046529989.db2.gz AVCWUZQLQOCNJQ-XOKHGSTOSA-N 1 1 318.848 4.253 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(C#N)c2)cc1 ZINC001139874774 1046539535 /nfs/dbraw/zinc/53/95/35/1046539535.db2.gz LPUHMVVXUGJLJF-IBGZPJMESA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3cc(F)cc(C#N)c3)C2)c1 ZINC001139878455 1046540785 /nfs/dbraw/zinc/54/07/85/1046540785.db2.gz MBIXKVUPLLLOIA-SFHVURJKSA-N 1 1 324.399 4.086 20 30 DIEDMO N#Cc1cc(F)cc(C[N@@H+](Cc2ccccn2)C2CCCCC2)c1 ZINC001139876403 1046540896 /nfs/dbraw/zinc/54/08/96/1046540896.db2.gz WDERLBNNEMJSAT-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134458398 1046547309 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Cc1cc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cn3)oc2cc1C ZINC000783294406 1046574321 /nfs/dbraw/zinc/57/43/21/1046574321.db2.gz PULUGYUTDWCYDC-CQSZACIVSA-N 1 1 305.381 4.167 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2cc(Cl)ccc2o1 ZINC000783299559 1046576803 /nfs/dbraw/zinc/57/68/03/1046576803.db2.gz DUVSOFNQBHGCRZ-LLVKDONJSA-N 1 1 311.772 4.204 20 30 DIEDMO C=CCC[C@@H](Nc1cncc(-n2cc[nH+]c2C)n1)c1ccccc1 ZINC000092923673 1046588651 /nfs/dbraw/zinc/58/86/51/1046588651.db2.gz ROIQKRCLXQWXGC-QGZVFWFLSA-N 1 1 319.412 4.090 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H]3c3ccccc3)c2c1 ZINC001140113648 1046591653 /nfs/dbraw/zinc/59/16/53/1046591653.db2.gz BGWNVTPOAJOVHD-FQEVSTJZSA-N 1 1 301.393 4.377 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H](c4ccccc4)C3)c2c1 ZINC001140109949 1046591878 /nfs/dbraw/zinc/59/18/78/1046591878.db2.gz BQMDJVQLOVYFIK-KRWDZBQOSA-N 1 1 301.393 4.029 20 30 DIEDMO CC1(C)C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)Cc2ccccc21 ZINC001140116073 1046595492 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C=CC[N@H+](Cc1c(C)nc2cc(C)ccn21)Cc1ccccc1 ZINC001139678080 1046879033 /nfs/dbraw/zinc/87/90/33/1046879033.db2.gz RPVFNTTWNXYNFR-UHFFFAOYSA-N 1 1 305.425 4.139 20 30 DIEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1F ZINC001140756875 1046888706 /nfs/dbraw/zinc/88/87/06/1046888706.db2.gz RBKWCOSSQWXTHS-GOSISDBHSA-N 1 1 304.384 4.381 20 30 DIEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000679674780 1046890743 /nfs/dbraw/zinc/89/07/43/1046890743.db2.gz SCWZOTZZXKIQHX-MRXNPFEDSA-N 1 1 312.240 4.020 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc(-c2ccncc2)c1)C1CCCC1 ZINC001137393077 1046910221 /nfs/dbraw/zinc/91/02/21/1046910221.db2.gz FVAMXMHTEOPYEG-UHFFFAOYSA-N 1 1 305.425 4.407 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1Cl ZINC001140810977 1046911016 /nfs/dbraw/zinc/91/10/16/1046911016.db2.gz JFYZQFQHVXWKGK-MRXNPFEDSA-N 1 1 310.828 4.276 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1Cl)Cc1cccc2cccnc21 ZINC001140810229 1046912544 /nfs/dbraw/zinc/91/25/44/1046912544.db2.gz 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/nfs/dbraw/zinc/97/49/49/1046974949.db2.gz MITLKTSPHQYPHJ-PKOBYXMFSA-N 1 1 316.489 4.126 20 30 DIEDMO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000798936182 1046990417 /nfs/dbraw/zinc/99/04/17/1046990417.db2.gz ZDGBHPXZHOPOOZ-CMKODMSKSA-N 1 1 300.490 4.089 20 30 DIEDMO N#CCC[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)C1CCCC1 ZINC001141076482 1047000438 /nfs/dbraw/zinc/00/04/38/1047000438.db2.gz SYZNAIMZLVJWPD-UHFFFAOYSA-N 1 1 323.484 4.044 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141087556 1047005089 /nfs/dbraw/zinc/00/50/89/1047005089.db2.gz FGPDAFQXYDFLDB-UHFFFAOYSA-N 1 1 319.449 4.217 20 30 DIEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141112788 1047016979 /nfs/dbraw/zinc/01/69/79/1047016979.db2.gz MMYLGDLGTVJKCT-ZDUSSCGKSA-N 1 1 319.861 4.438 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1Cl ZINC001141112035 1047017685 /nfs/dbraw/zinc/01/76/85/1047017685.db2.gz MTAORMQOGMRMHV-CYBMUJFWSA-N 1 1 317.845 4.192 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC001141167594 1047034907 /nfs/dbraw/zinc/03/49/07/1047034907.db2.gz QWFDSZNDPUIPNK-INIZCTEOSA-N 1 1 324.399 4.086 20 30 DIEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccccc2C#N)c2ccccn21 ZINC000799498709 1047037874 /nfs/dbraw/zinc/03/78/74/1047037874.db2.gz DFTSAGDTJSTFRR-KHPPLWFESA-N 1 1 315.376 4.225 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000536668685 1047050840 /nfs/dbraw/zinc/05/08/40/1047050840.db2.gz NMGZJSQNNOXMLS-HXUWFJFHSA-N 1 1 308.425 4.292 20 30 DIEDMO CC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(C)c1 ZINC001141253602 1047064015 /nfs/dbraw/zinc/06/40/15/1047064015.db2.gz VDBHHXYXRZTDCN-UHFFFAOYSA-N 1 1 308.425 4.310 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673024 1047063853 /nfs/dbraw/zinc/06/38/53/1047063853.db2.gz JEUXZUPBNVQRPI-CYBMUJFWSA-N 1 1 302.830 4.263 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)c(C)c1 ZINC001141253602 1047064029 /nfs/dbraw/zinc/06/40/29/1047064029.db2.gz VDBHHXYXRZTDCN-UHFFFAOYSA-N 1 1 308.425 4.310 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000536677043 1047066794 /nfs/dbraw/zinc/06/67/94/1047066794.db2.gz RFADPPIFGKOZIH-AWEZNQCLSA-N 1 1 302.830 4.263 20 30 DIEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1F)C1CCCCC1 ZINC001141287547 1047077555 /nfs/dbraw/zinc/07/75/55/1047077555.db2.gz HLLFLZLWRSHMKR-UHFFFAOYSA-N 1 1 307.409 4.164 20 30 DIEDMO COCC[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C(C)C ZINC001141294091 1047079063 /nfs/dbraw/zinc/07/90/63/1047079063.db2.gz VMLUVUVFYCOKCK-UHFFFAOYSA-N 1 1 324.424 4.207 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2c(C#N)cnn2C(C)(C)C)cc1 ZINC001212967947 1047115031 /nfs/dbraw/zinc/11/50/31/1047115031.db2.gz AEAODDMNKFGKFB-UHFFFAOYSA-N 1 1 311.433 4.100 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2nc3ncccc3cc2C#N)cc1 ZINC001212967948 1047115399 /nfs/dbraw/zinc/11/53/99/1047115399.db2.gz AEXFJILVRWOVDA-UHFFFAOYSA-N 1 1 317.396 4.091 20 30 DIEDMO C=CCCC[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000536995559 1047128505 /nfs/dbraw/zinc/12/85/05/1047128505.db2.gz SSMOYHZWVWQIRX-SFHVURJKSA-N 1 1 315.505 4.365 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC001116321209 1047129365 /nfs/dbraw/zinc/12/93/65/1047129365.db2.gz BVQQAOYBXDOTEO-HNNXBMFYSA-N 1 1 324.424 4.159 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1OC(F)F ZINC000537043369 1047135423 /nfs/dbraw/zinc/13/54/23/1047135423.db2.gz BZFWDSQVHBACHW-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001116439333 1047140758 /nfs/dbraw/zinc/14/07/58/1047140758.db2.gz VCYXHQJAYDEIHK-OALUTQOASA-N 1 1 312.457 4.381 20 30 DIEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000827649346 1047143036 /nfs/dbraw/zinc/14/30/36/1047143036.db2.gz IUJHKVZABRLKGV-FQEVSTJZSA-N 1 1 324.399 4.140 20 30 DIEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OCc3ccccc3F)cc2)C1 ZINC000827649346 1047143042 /nfs/dbraw/zinc/14/30/42/1047143042.db2.gz IUJHKVZABRLKGV-FQEVSTJZSA-N 1 1 324.399 4.140 20 30 DIEDMO CC(C)C[N@H+](Cc1ncoc1C(C)C)Cc1ccc(C#N)cc1 ZINC001116457917 1047143798 /nfs/dbraw/zinc/14/37/98/1047143798.db2.gz OEOPHHGSZBXGLD-UHFFFAOYSA-N 1 1 311.429 4.328 20 30 DIEDMO CC(C)C[N@@H+](Cc1ncoc1C(C)C)Cc1ccc(C#N)cc1 ZINC001116457917 1047143803 /nfs/dbraw/zinc/14/38/03/1047143803.db2.gz OEOPHHGSZBXGLD-UHFFFAOYSA-N 1 1 311.429 4.328 20 30 DIEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3)c2)C1 ZINC001116554016 1047157212 /nfs/dbraw/zinc/15/72/12/1047157212.db2.gz CHASQOUBGGGEHZ-NRFANRHFSA-N 1 1 323.436 4.043 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c[nH]c3cc(Cl)ccc13)CC2 ZINC001141580096 1047202960 /nfs/dbraw/zinc/20/29/60/1047202960.db2.gz VUSOGNCWEFEGDL-UHFFFAOYSA-N 1 1 321.811 4.251 20 30 DIEDMO C[C@]12CC[N@@H+](CCC3(C#N)CCCCC3)C[C@H]1C2(Cl)Cl ZINC000839595291 1047249774 /nfs/dbraw/zinc/24/97/74/1047249774.db2.gz FPLISEFWGHLMPI-KGLIPLIRSA-N 1 1 315.288 4.366 20 30 DIEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000683007153 1047257192 /nfs/dbraw/zinc/25/71/92/1047257192.db2.gz YLSIKFKSQGRRFU-FCHUYYIVSA-N 1 1 319.448 4.138 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc2cccnc21 ZINC000796632873 1047276932 /nfs/dbraw/zinc/27/69/32/1047276932.db2.gz OFHFHJWAHCLEQL-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO CSc1nc(C[N@@H+]2CCCC[C@H]2c2ccccc2)ccc1C#N ZINC001141928988 1047310332 /nfs/dbraw/zinc/31/03/32/1047310332.db2.gz GROQQVCOLXVRMQ-SFHVURJKSA-N 1 1 323.465 4.402 20 30 DIEDMO CSc1nc(C[N@H+]2CCCC[C@H]2c2ccccc2)ccc1C#N ZINC001141928988 1047310347 /nfs/dbraw/zinc/31/03/47/1047310347.db2.gz GROQQVCOLXVRMQ-SFHVURJKSA-N 1 1 323.465 4.402 20 30 DIEDMO CSc1nc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)ccc1C#N ZINC001141940026 1047313549 /nfs/dbraw/zinc/31/35/49/1047313549.db2.gz ZHNBSRKMKVTYGQ-GOSISDBHSA-N 1 1 323.465 4.321 20 30 DIEDMO C=CCC[C@H](CC)[NH2+][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000898105285 1047321108 /nfs/dbraw/zinc/32/11/08/1047321108.db2.gz KAAWQWNTBQKLJR-YOEHRIQHSA-N 1 1 319.399 4.122 20 30 DIEDMO CCCOc1ccc2c(c1)CC[N@H+](CC1CCC(C#N)CC1)C2 ZINC001168302531 1047377954 /nfs/dbraw/zinc/37/79/54/1047377954.db2.gz NMTMAZDODLIANW-UHFFFAOYSA-N 1 1 312.457 4.163 20 30 DIEDMO C=CC[N@H+](CCc1noc2ccccc21)Cc1ccc(OC)cc1 ZINC000653502519 1047392141 /nfs/dbraw/zinc/39/21/41/1047392141.db2.gz GRYRCWYXOIRRAU-UHFFFAOYSA-N 1 1 322.408 4.067 20 30 DIEDMO C=CCCn1cc(C[NH2+][C@@H](c2cccc(C)c2)C(C)(C)C)nn1 ZINC000653606393 1047406719 /nfs/dbraw/zinc/40/67/19/1047406719.db2.gz GRQYZDRNQQGSAD-SFHVURJKSA-N 1 1 312.461 4.040 20 30 DIEDMO C=CCCn1cc(C[N@H+]([C@@H](C)c2ccccc2)C2CCCC2)nn1 ZINC000653669698 1047414193 /nfs/dbraw/zinc/41/41/93/1047414193.db2.gz HPQKYLLKIURSMO-KRWDZBQOSA-N 1 1 324.472 4.360 20 30 DIEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)nn1 ZINC000653762086 1047419561 /nfs/dbraw/zinc/41/95/61/1047419561.db2.gz SSHGTUWFTFLLKF-VQTJNVASSA-N 1 1 324.472 4.012 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000749570680 1047428082 /nfs/dbraw/zinc/42/80/82/1047428082.db2.gz ANVOQUNNILKPQI-UHFFFAOYSA-N 1 1 304.434 4.432 20 30 DIEDMO FC[C@]1(C(F)(F)F)CC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255706848 1047431788 /nfs/dbraw/zinc/43/17/88/1047431788.db2.gz XWNMWXUPROOOCI-GARJFASQSA-N 1 1 321.280 4.331 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)c1=S ZINC000841688050 1047441002 /nfs/dbraw/zinc/44/10/02/1047441002.db2.gz BUDOFTCXWIWBIZ-HUUCEWRRSA-N 1 1 322.522 4.013 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)c1=S ZINC000841688050 1047441008 /nfs/dbraw/zinc/44/10/08/1047441008.db2.gz BUDOFTCXWIWBIZ-HUUCEWRRSA-N 1 1 322.522 4.013 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)c1=S ZINC000841688046 1047441425 /nfs/dbraw/zinc/44/14/25/1047441425.db2.gz BUDOFTCXWIWBIZ-GJZGRUSLSA-N 1 1 322.522 4.013 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)c1=S ZINC000841688046 1047441427 /nfs/dbraw/zinc/44/14/27/1047441427.db2.gz BUDOFTCXWIWBIZ-GJZGRUSLSA-N 1 1 322.522 4.013 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1c1cccc(F)c1 ZINC000537619340 1047459122 /nfs/dbraw/zinc/45/91/22/1047459122.db2.gz BSBFWAYGFNGXPZ-SJCJKPOMSA-N 1 1 300.402 4.342 20 30 DIEDMO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000537623075 1047474574 /nfs/dbraw/zinc/47/45/74/1047474574.db2.gz WWADDTFGDBOXKC-SFTDATJTSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000537623075 1047474577 /nfs/dbraw/zinc/47/45/77/1047474577.db2.gz WWADDTFGDBOXKC-SFTDATJTSA-N 1 1 320.436 4.357 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000537624549 1047474863 /nfs/dbraw/zinc/47/48/63/1047474863.db2.gz YLTMUNJIIMRBIL-IBGZPJMESA-N 1 1 308.425 4.292 20 30 DIEDMO CCOc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000537623072 1047475371 /nfs/dbraw/zinc/47/53/71/1047475371.db2.gz WWADDTFGDBOXKC-LEWJYISDSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000537623072 1047475373 /nfs/dbraw/zinc/47/53/73/1047475373.db2.gz WWADDTFGDBOXKC-LEWJYISDSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1cccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000537623074 1047475640 /nfs/dbraw/zinc/47/56/40/1047475640.db2.gz WWADDTFGDBOXKC-RTWAWAEBSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000537623074 1047475645 /nfs/dbraw/zinc/47/56/45/1047475645.db2.gz WWADDTFGDBOXKC-RTWAWAEBSA-N 1 1 320.436 4.357 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000089903618 1047494099 /nfs/dbraw/zinc/49/40/99/1047494099.db2.gz FCFNPJWVRBVXPF-UHFFFAOYSA-N 1 1 303.406 4.125 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC000120878586 1047501257 /nfs/dbraw/zinc/50/12/57/1047501257.db2.gz DXRNHFYJJOPCGP-GOSISDBHSA-N 1 1 312.438 4.356 20 30 DIEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCCCC2 ZINC000537633045 1047511165 /nfs/dbraw/zinc/51/11/65/1047511165.db2.gz GKHJLIYRXXFPGY-SJORKVTESA-N 1 1 306.494 4.376 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921338 1047514426 /nfs/dbraw/zinc/51/44/26/1047514426.db2.gz KIINYYRVWBAWFG-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)c[nH]c2c1 ZINC001142922667 1047514478 /nfs/dbraw/zinc/51/44/78/1047514478.db2.gz PWUVBRFUMBUIKK-MRXNPFEDSA-N 1 1 319.383 4.168 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921834 1047514615 /nfs/dbraw/zinc/51/46/15/1047514615.db2.gz XDCHDKAQXMOKQM-UHFFFAOYSA-N 1 1 323.827 4.367 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(F)c1 ZINC001142922472 1047514962 /nfs/dbraw/zinc/51/49/62/1047514962.db2.gz IWLQAHKBJMHCRR-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C(C)(C)Cc1ccccc1 ZINC001143176128 1047539168 /nfs/dbraw/zinc/53/91/68/1047539168.db2.gz ROFGADKPMPJQRC-UHFFFAOYSA-N 1 1 314.379 4.290 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC(C)(C)CCC#N)CCC2 ZINC000093768091 1047550892 /nfs/dbraw/zinc/55/08/92/1047550892.db2.gz WJXZLAYVUFDODH-AWEZNQCLSA-N 1 1 305.491 4.345 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000477143934 1047598054 /nfs/dbraw/zinc/59/80/54/1047598054.db2.gz REKDIJPTXNYION-QGZVFWFLSA-N 1 1 312.438 4.226 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001152074514 1047606872 /nfs/dbraw/zinc/60/68/72/1047606872.db2.gz KSGRHUXVAIDVDM-GOSISDBHSA-N 1 1 310.526 4.316 20 30 DIEDMO C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000538508659 1047683853 /nfs/dbraw/zinc/68/38/53/1047683853.db2.gz WZXUXPMASASTEC-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1cccc(F)c1F ZINC000538508975 1047683953 /nfs/dbraw/zinc/68/39/53/1047683953.db2.gz RAUIDZFHXYSIHV-WDEREUQCSA-N 1 1 304.315 4.387 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1F)c1ccc(C#N)c(F)c1 ZINC000538508972 1047684414 /nfs/dbraw/zinc/68/44/14/1047684414.db2.gz RAUIDZFHXYSIHV-GHMZBOCLSA-N 1 1 304.315 4.387 20 30 DIEDMO N#Cc1ccc(C2CCN(c3ccc4c([nH+]3)CCCC4)CC2)cc1 ZINC001156765513 1047721865 /nfs/dbraw/zinc/72/18/65/1047721865.db2.gz NBMKKMXNHZPAEJ-UHFFFAOYSA-N 1 1 317.436 4.216 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001156791493 1047722583 /nfs/dbraw/zinc/72/25/83/1047722583.db2.gz UDIQMXRGWMNDRH-IBGZPJMESA-N 1 1 320.440 4.112 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000539227691 1047742757 /nfs/dbraw/zinc/74/27/57/1047742757.db2.gz SFCDENKYOYJAGI-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000539228159 1047742832 /nfs/dbraw/zinc/74/28/32/1047742832.db2.gz ZIESUMBFFNZHAZ-OAHLLOKOSA-N 1 1 324.424 4.205 20 30 DIEDMO C=CCN(c1ccc([C@H]2CCCC[N@@H+]2CC)cn1)C(C)(C)C ZINC001157585699 1047746606 /nfs/dbraw/zinc/74/66/06/1047746606.db2.gz PSPJJZMPLBKBNK-QGZVFWFLSA-N 1 1 301.478 4.419 20 30 DIEDMO Cc1[nH+]c(NCCc2ccc3ccccc3c2)ccc1CC#N ZINC001157910605 1047763483 /nfs/dbraw/zinc/76/34/83/1047763483.db2.gz MZJONELOOQIKFD-UHFFFAOYSA-N 1 1 301.393 4.264 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001158318325 1047774219 /nfs/dbraw/zinc/77/42/19/1047774219.db2.gz KMHZRAUEBGUKCG-RXGJEQQXSA-N 1 1 320.521 4.425 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001158318324 1047774555 /nfs/dbraw/zinc/77/45/55/1047774555.db2.gz KMHZRAUEBGUKCG-MVGRMIATSA-N 1 1 320.521 4.425 20 30 DIEDMO Cc1ccc(CC#N)c(NCc2nc(-c3ccccc3)cs2)[nH+]1 ZINC001159214378 1047821851 /nfs/dbraw/zinc/82/18/51/1047821851.db2.gz OERGGWQPERZLOR-UHFFFAOYSA-N 1 1 320.421 4.192 20 30 DIEDMO C=CCCCNc1ccc(-c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001159262755 1047824900 /nfs/dbraw/zinc/82/49/00/1047824900.db2.gz WCSPHWMHZKZONZ-UHFFFAOYSA-N 1 1 310.397 4.222 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001159269529 1047825885 /nfs/dbraw/zinc/82/58/85/1047825885.db2.gz KDAIPAZJBYIMGX-OAHLLOKOSA-N 1 1 307.507 4.139 20 30 DIEDMO CC#CCCCCCCCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001182770605 1047843504 /nfs/dbraw/zinc/84/35/04/1047843504.db2.gz QKNJTDRUMXABPF-LJQANCHMSA-N 1 1 320.521 4.121 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1F ZINC001182910939 1047862935 /nfs/dbraw/zinc/86/29/35/1047862935.db2.gz SKBVMTWKLCUITB-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO CCCc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC001183179513 1047898768 /nfs/dbraw/zinc/89/87/68/1047898768.db2.gz FSQGRICRPBYLCG-UHFFFAOYSA-N 1 1 310.466 4.325 20 30 DIEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1C(C)(C)C#N)C2 ZINC001174615617 1047927116 /nfs/dbraw/zinc/92/71/16/1047927116.db2.gz WSVVWMJAGQILPS-UHFFFAOYSA-N 1 1 320.436 4.055 20 30 DIEDMO CC[C@H](OCC[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC001198203219 1047933652 /nfs/dbraw/zinc/93/36/52/1047933652.db2.gz XWFKYPAAEIWZTK-SFHVURJKSA-N 1 1 314.454 4.219 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001198185519 1047935363 /nfs/dbraw/zinc/93/53/63/1047935363.db2.gz QLBDELJJMCKFBM-LPHOPBHVSA-N 1 1 322.493 4.112 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001198185521 1047936495 /nfs/dbraw/zinc/93/64/95/1047936495.db2.gz QLBDELJJMCKFBM-VQIMIIECSA-N 1 1 322.493 4.112 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1ccc(N(C)C)cc1 ZINC000775834914 1047941955 /nfs/dbraw/zinc/94/19/55/1047941955.db2.gz VWJACXAZCKMMDT-CYBMUJFWSA-N 1 1 313.832 4.128 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC001198406359 1047953006 /nfs/dbraw/zinc/95/30/06/1047953006.db2.gz JEBKTFKGSIQUSG-AWEZNQCLSA-N 1 1 306.837 4.018 20 30 DIEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001174742691 1047961356 /nfs/dbraw/zinc/96/13/56/1047961356.db2.gz QOZZSUMLFBQNNA-INIZCTEOSA-N 1 1 324.424 4.314 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001174742691 1047961358 /nfs/dbraw/zinc/96/13/58/1047961358.db2.gz QOZZSUMLFBQNNA-INIZCTEOSA-N 1 1 324.424 4.314 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490415 1047963333 /nfs/dbraw/zinc/96/33/33/1047963333.db2.gz JVNJRYOMFZIRDG-INIZCTEOSA-N 1 1 315.848 4.044 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC001198490415 1047963341 /nfs/dbraw/zinc/96/33/41/1047963341.db2.gz JVNJRYOMFZIRDG-INIZCTEOSA-N 1 1 315.848 4.044 20 30 DIEDMO CC(C)(C#N)CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000553905528 1047964050 /nfs/dbraw/zinc/96/40/50/1047964050.db2.gz KJSIDJMZGCQWBY-UHFFFAOYSA-N 1 1 307.441 4.066 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1Br ZINC001174771713 1047965649 /nfs/dbraw/zinc/96/56/49/1047965649.db2.gz UGZZBAQWJZNHLC-OKILXGFUSA-N 1 1 322.246 4.011 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cnc2[nH]cc(C)c21 ZINC001160178956 1047988830 /nfs/dbraw/zinc/98/88/30/1047988830.db2.gz QPCKVXSYMOGBMB-ZDUSSCGKSA-N 1 1 308.385 4.004 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1cc(Br)c(OC)s1 ZINC001184189324 1048004046 /nfs/dbraw/zinc/00/40/46/1048004046.db2.gz UXYYYQPDAPIYPF-UHFFFAOYSA-N 1 1 318.280 4.307 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC001174863682 1048007457 /nfs/dbraw/zinc/00/74/57/1048007457.db2.gz RYFVPFYQOVSYMS-UHFFFAOYSA-N 1 1 302.805 4.463 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2csc(-c3ccccc3F)n2)C1 ZINC001174891717 1048012930 /nfs/dbraw/zinc/01/29/30/1048012930.db2.gz VLURDDWSHVKDDS-ZDUSSCGKSA-N 1 1 302.418 4.347 20 30 DIEDMO C#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cc1 ZINC001184228869 1048014535 /nfs/dbraw/zinc/01/45/35/1048014535.db2.gz MVPLZLRXDBATMT-UNMCSNQZSA-N 1 1 316.448 4.448 20 30 DIEDMO C=CCCC[N@H+]1CCc2cccc(NC(=O)OC(C)(C)C)c2C1 ZINC001198843693 1048014771 /nfs/dbraw/zinc/01/47/71/1048014771.db2.gz AIDIHSDUWMHMCK-UHFFFAOYSA-N 1 1 316.445 4.358 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@H](C#N)CC(C)C)nc1 ZINC001160364320 1048041203 /nfs/dbraw/zinc/04/12/03/1048041203.db2.gz AERTZQVMIOXJOQ-ROUUACIJSA-N 1 1 314.477 4.369 20 30 DIEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271252 1048108721 /nfs/dbraw/zinc/10/87/21/1048108721.db2.gz YSBYDAPHYBLRPX-CRAIPNDOSA-N 1 1 321.896 4.084 20 30 DIEDMO C=CCOc1cccc(C[NH2+]Cc2c(Cl)cccc2OC)c1 ZINC000480307965 1048118998 /nfs/dbraw/zinc/11/89/98/1048118998.db2.gz WMRAWEYDIKNSMT-UHFFFAOYSA-N 1 1 317.816 4.203 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001185037973 1048122408 /nfs/dbraw/zinc/12/24/08/1048122408.db2.gz YTQPKZKMPZJWSA-RDJZCZTQSA-N 1 1 323.415 4.253 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001161493757 1048134243 /nfs/dbraw/zinc/13/42/43/1048134243.db2.gz HKVHWLJCMDNIHX-ROUUACIJSA-N 1 1 322.537 4.458 20 30 DIEDMO N#Cc1c[nH]c2cc[nH+]c(NCC3(Cc4ccc(F)cc4)CC3)c12 ZINC001161623121 1048147615 /nfs/dbraw/zinc/14/76/15/1048147615.db2.gz SMNKXFRAVZFNJP-UHFFFAOYSA-N 1 1 320.371 4.008 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N[C@H](C#N)c2ccccc2)nc1 ZINC001161718302 1048158899 /nfs/dbraw/zinc/15/88/99/1048158899.db2.gz UIKGCQHZFWNEHX-QFBILLFUSA-N 1 1 320.440 4.133 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC001175140472 1048164097 /nfs/dbraw/zinc/16/40/97/1048164097.db2.gz NVIGNJGDUVOBTK-UHFFFAOYSA-N 1 1 322.374 4.393 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000480535582 1048170675 /nfs/dbraw/zinc/17/06/75/1048170675.db2.gz KRBZGLOTLLVXDT-GOSISDBHSA-N 1 1 318.848 4.135 20 30 DIEDMO C=CCCC[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000480557363 1048178585 /nfs/dbraw/zinc/17/85/85/1048178585.db2.gz RJROOENWTWGWSR-UHFFFAOYSA-N 1 1 314.404 4.198 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000480678726 1048214863 /nfs/dbraw/zinc/21/48/63/1048214863.db2.gz ACPMSEKLPOCBEP-NSHDSACASA-N 1 1 319.246 4.084 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1ccc(F)c(F)c1 ZINC000480692348 1048219996 /nfs/dbraw/zinc/21/99/96/1048219996.db2.gz GKLZVVUNXDWBSR-GTNSWQLSSA-N 1 1 306.331 4.467 20 30 DIEDMO Cc1ccc(CC#N)c(NCC(C)(C)Cc2ccccc2F)[nH+]1 ZINC001162132973 1048230512 /nfs/dbraw/zinc/23/05/12/1048230512.db2.gz KRLHGAVUHGVLCS-UHFFFAOYSA-N 1 1 311.404 4.276 20 30 DIEDMO C=CC[N@H+](CCC(=O)c1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000480780686 1048240715 /nfs/dbraw/zinc/24/07/15/1048240715.db2.gz PMMDMGBFVIJFAU-UHFFFAOYSA-N 1 1 318.420 4.128 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(Br)c1 ZINC000481054846 1048303362 /nfs/dbraw/zinc/30/33/62/1048303362.db2.gz KPWFHCXVZGBCSM-BBRMVZONSA-N 1 1 319.246 4.085 20 30 DIEDMO CC(C)(C)C(=[NH2+])Nc1ncc(Cl)cc1C#C[Si](C)(C)C ZINC001162661694 1048331222 /nfs/dbraw/zinc/33/12/22/1048331222.db2.gz HEAYDYWONDAAFA-UHFFFAOYSA-N 1 1 307.901 4.399 20 30 DIEDMO C#Cc1ccc(CNc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)cc1 ZINC001201617581 1048332971 /nfs/dbraw/zinc/33/29/71/1048332971.db2.gz JDMLHJDOUZVSLV-QGZVFWFLSA-N 1 1 319.452 4.362 20 30 DIEDMO Cc1ccc2c(C3=CC[N@H+]([C@H]4CC[C@H](C#N)C4)CC3)c[nH]c2c1 ZINC000555404143 1048339701 /nfs/dbraw/zinc/33/97/01/1048339701.db2.gz BJLAKPQNKDKLDY-RDJZCZTQSA-N 1 1 305.425 4.258 20 30 DIEDMO Cc1cc(C#N)ccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506193 1048339847 /nfs/dbraw/zinc/33/98/47/1048339847.db2.gz YDPQFRPEPSKEDD-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO Cc1cc(C#N)c(NC2=CC[N@@H+](Cc3ccccc3)CC2)s1 ZINC001175505978 1048341198 /nfs/dbraw/zinc/34/11/98/1048341198.db2.gz XTHSCKUOJZLIIU-UHFFFAOYSA-N 1 1 309.438 4.130 20 30 DIEDMO Cc1cc(C#N)c(N=C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC001175505978 1048341215 /nfs/dbraw/zinc/34/12/15/1048341215.db2.gz XTHSCKUOJZLIIU-UHFFFAOYSA-N 1 1 309.438 4.130 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccncc2C)cc1 ZINC001162723639 1048341898 /nfs/dbraw/zinc/34/18/98/1048341898.db2.gz WDVSUXXDGBTGDE-FQEVSTJZSA-N 1 1 307.441 4.325 20 30 DIEDMO C[C@@H]1CCC[N@@H+](CCCCNc2cccc(Cl)c2C#N)C1 ZINC000555415252 1048341867 /nfs/dbraw/zinc/34/18/67/1048341867.db2.gz LHUGUKQJLCGDOD-CQSZACIVSA-N 1 1 305.853 4.136 20 30 DIEDMO C=CC[N@@H+](Cc1nc2ccc(Br)cc2s1)C1CC1 ZINC000775059905 1048357601 /nfs/dbraw/zinc/35/76/01/1048357601.db2.gz YPWSEFDLOOJEBA-UHFFFAOYSA-N 1 1 323.259 4.209 20 30 DIEDMO C=CC[N@H+](Cc1nc2ccc(Br)cc2s1)C1CC1 ZINC000775059905 1048357613 /nfs/dbraw/zinc/35/76/13/1048357613.db2.gz YPWSEFDLOOJEBA-UHFFFAOYSA-N 1 1 323.259 4.209 20 30 DIEDMO Cc1cccc2[nH+]cc(Nc3ccc(C(F)(F)F)cc3C#N)n21 ZINC001201692106 1048361258 /nfs/dbraw/zinc/36/12/58/1048361258.db2.gz WDLABUZMNHGBIO-UHFFFAOYSA-N 1 1 316.286 4.277 20 30 DIEDMO C[N@H+](Cc1csc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000600109040 1048361737 /nfs/dbraw/zinc/36/17/37/1048361737.db2.gz GBWBUENPOKBRDO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1csc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000600109040 1048361748 /nfs/dbraw/zinc/36/17/48/1048361748.db2.gz GBWBUENPOKBRDO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000481322808 1048367675 /nfs/dbraw/zinc/36/76/75/1048367675.db2.gz UCFLEQSMJFXFTN-UHFFFAOYSA-N 1 1 316.832 4.322 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCCS1 ZINC000600121499 1048368209 /nfs/dbraw/zinc/36/82/09/1048368209.db2.gz VFHXGRXUCQYJLS-OKZBNKHCSA-N 1 1 300.471 4.044 20 30 DIEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001201762243 1048371520 /nfs/dbraw/zinc/37/15/20/1048371520.db2.gz CGVISJLRWGPARP-UHFFFAOYSA-N 1 1 312.498 4.288 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001201804709 1048374083 /nfs/dbraw/zinc/37/40/83/1048374083.db2.gz RDCAROUZNZWCOL-KGLIPLIRSA-N 1 1 313.379 4.074 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201804737 1048374494 /nfs/dbraw/zinc/37/44/94/1048374494.db2.gz RLWOTYCKTATZCX-LSDHHAIUSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001201787218 1048378922 /nfs/dbraw/zinc/37/89/22/1048378922.db2.gz ADTUGTSAQRCNAP-MRXNPFEDSA-N 1 1 312.498 4.146 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001201787792 1048379486 /nfs/dbraw/zinc/37/94/86/1048379486.db2.gz MIFLTNQPOBFQSD-LBPRGKRZSA-N 1 1 319.371 4.238 20 30 DIEDMO C=CC[C@@H](Nc1cc(N2CCCC2)[nH+]c(C)n1)c1ccccc1 ZINC001162901871 1048381012 /nfs/dbraw/zinc/38/10/12/1048381012.db2.gz GFLVNOBVNFXBDZ-QGZVFWFLSA-N 1 1 308.429 4.115 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001201825993 1048384121 /nfs/dbraw/zinc/38/41/21/1048384121.db2.gz KOEOCYOLIXPHEH-LJQANCHMSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201838864 1048384872 /nfs/dbraw/zinc/38/48/72/1048384872.db2.gz FNPMMTLQEQBKBF-KRWDZBQOSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201838866 1048385823 /nfs/dbraw/zinc/38/58/23/1048385823.db2.gz FNPMMTLQEQBKBF-QGZVFWFLSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201840272 1048386607 /nfs/dbraw/zinc/38/66/07/1048386607.db2.gz XPUGLROPUPLVLG-QGZVFWFLSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201839655 1048388178 /nfs/dbraw/zinc/38/81/78/1048388178.db2.gz OUNOKRMQRLVNMV-GOSISDBHSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCCN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001201846818 1048390655 /nfs/dbraw/zinc/39/06/55/1048390655.db2.gz MHKOHXJKMNPLQP-UHFFFAOYSA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCCCN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001201846818 1048390670 /nfs/dbraw/zinc/39/06/70/1048390670.db2.gz MHKOHXJKMNPLQP-UHFFFAOYSA-N 1 1 324.553 4.312 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201874656 1048393916 /nfs/dbraw/zinc/39/39/16/1048393916.db2.gz BQUAAVSZABNSQQ-ZWKOTPCHSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001175715883 1048420912 /nfs/dbraw/zinc/42/09/12/1048420912.db2.gz IPXKMCADCQXSEN-UHFFFAOYSA-N 1 1 311.454 4.304 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCc3cc(F)c(F)cc3C2)CCC1 ZINC001175740694 1048431682 /nfs/dbraw/zinc/43/16/82/1048431682.db2.gz AYHKDYDZRIIPEM-UHFFFAOYSA-N 1 1 304.384 4.187 20 30 DIEDMO CC(C)c1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175774154 1048449358 /nfs/dbraw/zinc/44/93/58/1048449358.db2.gz TVXMWBNQMDEHKE-UHFFFAOYSA-N 1 1 311.454 4.475 20 30 DIEDMO C=C(Cl)C[NH2+]C1(c2cc(Cl)cc(Br)c2)CC1 ZINC001175802623 1048462983 /nfs/dbraw/zinc/46/29/83/1048462983.db2.gz XCJROUWGXWWKFM-UHFFFAOYSA-N 1 1 321.045 4.434 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1c1ncccn1 ZINC001175846540 1048463368 /nfs/dbraw/zinc/46/33/68/1048463368.db2.gz ZTZWPVGCYISTEF-GOSISDBHSA-N 1 1 320.440 4.005 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001175846540 1048463372 /nfs/dbraw/zinc/46/33/72/1048463372.db2.gz ZTZWPVGCYISTEF-GOSISDBHSA-N 1 1 320.440 4.005 20 30 DIEDMO N=C(Nc1cc[nH+]c(C2CC2)c1)c1ccc(C(F)(F)F)cc1 ZINC001163685986 1048502786 /nfs/dbraw/zinc/50/27/86/1048502786.db2.gz ZALXFOKSBSJGPX-UHFFFAOYSA-N 1 1 305.303 4.015 20 30 DIEDMO CC[C@H](Cc1ccccc1Br)[N@@H+](C)CC1(C#N)CC1 ZINC000481846960 1048502991 /nfs/dbraw/zinc/50/29/91/1048502991.db2.gz ULTSDHANOYKHEH-CQSZACIVSA-N 1 1 321.262 4.006 20 30 DIEDMO Cc1cc(NC(=[NH2+])C23CC4CC(CC(C4)C2)C3)nc(C)c1C#N ZINC001163844080 1048536586 /nfs/dbraw/zinc/53/65/86/1048536586.db2.gz HVVCIWAIMDSRTG-UHFFFAOYSA-N 1 1 308.429 4.176 20 30 DIEDMO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775203826 1048558888 /nfs/dbraw/zinc/55/88/88/1048558888.db2.gz IHPLDABZOATOSH-MSOLQXFVSA-N 1 1 322.452 4.349 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1C[C@H]1C ZINC001204169779 1048579687 /nfs/dbraw/zinc/57/96/87/1048579687.db2.gz BALVSUDNDHAGRE-VXGBXAGGSA-N 1 1 312.226 4.232 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007683 1048568781 /nfs/dbraw/zinc/56/87/81/1048568781.db2.gz JLBTZHYQEOENRN-QGZVFWFLSA-N 1 1 300.446 4.037 20 30 DIEDMO CC(C)[N@@H+](CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000338920132 1048583092 /nfs/dbraw/zinc/58/30/92/1048583092.db2.gz XSXJBRVYYNLXON-UHFFFAOYSA-N 1 1 315.244 4.134 20 30 DIEDMO N#C[C@H](S[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583332 1048643835 /nfs/dbraw/zinc/64/38/35/1048643835.db2.gz OBNLLONXTMOPCM-OALUTQOASA-N 1 1 314.498 4.467 20 30 DIEDMO C#CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000850447303 1048660597 /nfs/dbraw/zinc/66/05/97/1048660597.db2.gz FTZMNSKFQXCJLB-KDOFPFPSSA-N 1 1 324.380 4.019 20 30 DIEDMO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccc3F)CC2)o1 ZINC001204397058 1048674441 /nfs/dbraw/zinc/67/44/41/1048674441.db2.gz QAQGQYVFDFFFDR-UHFFFAOYSA-N 1 1 312.388 4.038 20 30 DIEDMO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccc(OCC#N)cc1 ZINC000775336948 1048677719 /nfs/dbraw/zinc/67/77/19/1048677719.db2.gz UTJADAAPBKDASR-LBPRGKRZSA-N 1 1 318.779 4.232 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CCCCC1 ZINC000850552444 1048689263 /nfs/dbraw/zinc/68/92/63/1048689263.db2.gz ZJPROLFHCMCCGG-HNNXBMFYSA-N 1 1 304.434 4.426 20 30 DIEDMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2C(C)(C)C#N)[nH]n1 ZINC001176484336 1048695416 /nfs/dbraw/zinc/69/54/16/1048695416.db2.gz FWNJGJGCZSGSFH-IBGZPJMESA-N 1 1 322.456 4.247 20 30 DIEDMO CCCCCCCC[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001190509935 1048746774 /nfs/dbraw/zinc/74/67/74/1048746774.db2.gz JBBGJRBHZZAUGQ-UHFFFAOYSA-N 1 1 320.477 4.015 20 30 DIEDMO CC(C)c1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000483149532 1048747345 /nfs/dbraw/zinc/74/73/45/1048747345.db2.gz VMYDFMJWURMKNR-UHFFFAOYSA-N 1 1 307.441 4.185 20 30 DIEDMO C#CC[N@H+](CCCc1ccccc1OC)[C@H]1CCc2ccccc21 ZINC001190526712 1048748097 /nfs/dbraw/zinc/74/80/97/1048748097.db2.gz CNUCOMAXJOJTIF-NRFANRHFSA-N 1 1 319.448 4.251 20 30 DIEDMO N#Cc1ccc(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC001166393883 1048750121 /nfs/dbraw/zinc/75/01/21/1048750121.db2.gz WLKSPDRRUDBHNC-SFHVURJKSA-N 1 1 312.438 4.049 20 30 DIEDMO C=CCC[N@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001176649734 1048763665 /nfs/dbraw/zinc/76/36/65/1048763665.db2.gz JUKBSSLYKNLOIG-UHFFFAOYSA-N 1 1 300.627 4.037 20 30 DIEDMO C=CCC[N@@H+]1CCc2c(Cl)ccc(Br)c2C1 ZINC001176649734 1048763677 /nfs/dbraw/zinc/76/36/77/1048763677.db2.gz JUKBSSLYKNLOIG-UHFFFAOYSA-N 1 1 300.627 4.037 20 30 DIEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000483258182 1048765348 /nfs/dbraw/zinc/76/53/48/1048765348.db2.gz SQEWZFVERACVEN-PMACEKPBSA-N 1 1 307.441 4.055 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279722 1048770783 /nfs/dbraw/zinc/77/07/83/1048770783.db2.gz IFTLTACKAPJGAJ-KBPBESRZSA-N 1 1 315.848 4.174 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000483281542 1048771213 /nfs/dbraw/zinc/77/12/13/1048771213.db2.gz NRMOLPUOXYSXGR-UHFFFAOYSA-N 1 1 300.446 4.237 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC000483281542 1048771226 /nfs/dbraw/zinc/77/12/26/1048771226.db2.gz NRMOLPUOXYSXGR-UHFFFAOYSA-N 1 1 300.446 4.237 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(C4CC4)c3)sc2C1 ZINC001176725583 1048772535 /nfs/dbraw/zinc/77/25/35/1048772535.db2.gz UBWFLQPRYJFWGG-UHFFFAOYSA-N 1 1 309.438 4.229 20 30 DIEDMO C#CC[N@H+](Cc1ccc(Br)cc1)C1CCCCC1 ZINC001190708747 1048774246 /nfs/dbraw/zinc/77/42/46/1048774246.db2.gz VBUPGWJCXHFSQC-UHFFFAOYSA-N 1 1 306.247 4.217 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)cc1 ZINC001190683594 1048777686 /nfs/dbraw/zinc/77/76/86/1048777686.db2.gz XJLRWTUJJXRJAL-QGZVFWFLSA-N 1 1 310.466 4.383 20 30 DIEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)cc1 ZINC001190746620 1048782061 /nfs/dbraw/zinc/78/20/61/1048782061.db2.gz YMBZJIRGHKVFQI-LJQANCHMSA-N 1 1 320.436 4.173 20 30 DIEDMO COc1ccc(C[C@H](C)[N@@H+](C)CCCCC2(C#N)CCC2)cc1 ZINC001190753259 1048782754 /nfs/dbraw/zinc/78/27/54/1048782754.db2.gz RPSMVJZMEHSMIY-KRWDZBQOSA-N 1 1 314.473 4.422 20 30 DIEDMO C=CC[N@H+](CCCC)Cc1cc(Br)ccc1F ZINC001190753821 1048783626 /nfs/dbraw/zinc/78/36/26/1048783626.db2.gz WLQCCAZCTOKUAZ-UHFFFAOYSA-N 1 1 300.215 4.376 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC001176813900 1048791501 /nfs/dbraw/zinc/79/15/01/1048791501.db2.gz HVZBVIFDEUSJBB-OAHLLOKOSA-N 1 1 317.230 4.148 20 30 DIEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000483431379 1048792175 /nfs/dbraw/zinc/79/21/75/1048792175.db2.gz MFFCFSBKQHPTCR-HXUWFJFHSA-N 1 1 308.400 4.055 20 30 DIEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC001176837245 1048794553 /nfs/dbraw/zinc/79/45/53/1048794553.db2.gz HZUSAPJODMVPOO-UHFFFAOYSA-N 1 1 322.456 4.373 20 30 DIEDMO CCCCCCCCC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001176872258 1048797889 /nfs/dbraw/zinc/79/78/89/1048797889.db2.gz VWJNDIXWWDOHBN-WOJBJXKFSA-N 1 1 303.490 4.272 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001176933133 1048803711 /nfs/dbraw/zinc/80/37/11/1048803711.db2.gz VDKQVZZOOQHRTN-IBGZPJMESA-N 1 1 322.493 4.208 20 30 DIEDMO C=C(C)CC[N@H+]1CCCC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001176933134 1048804411 /nfs/dbraw/zinc/80/44/11/1048804411.db2.gz VDKQVZZOOQHRTN-LJQANCHMSA-N 1 1 322.493 4.208 20 30 DIEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984674 1048810453 /nfs/dbraw/zinc/81/04/53/1048810453.db2.gz KWOMMLZXYNSOPI-HKUYNNGSSA-N 1 1 320.521 4.092 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC001190985741 1048815457 /nfs/dbraw/zinc/81/54/57/1048815457.db2.gz RKLHEWKTYDSPQR-OAQYLSRUSA-N 1 1 307.412 4.193 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)cc1F ZINC000483523727 1048816727 /nfs/dbraw/zinc/81/67/27/1048816727.db2.gz AJDZFMQEVUYQTC-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)cc1F ZINC000483523727 1048816735 /nfs/dbraw/zinc/81/67/35/1048816735.db2.gz AJDZFMQEVUYQTC-UHFFFAOYSA-N 1 1 320.367 4.493 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852319902 1048834370 /nfs/dbraw/zinc/83/43/70/1048834370.db2.gz TTXQCZARYBOJMO-GFCCVEGCSA-N 1 1 314.376 4.424 20 30 DIEDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccc1OC ZINC001167038259 1048837285 /nfs/dbraw/zinc/83/72/85/1048837285.db2.gz NEZFLCKQGZFIQI-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000776590700 1048838271 /nfs/dbraw/zinc/83/82/71/1048838271.db2.gz FGLVPWLMHVDWNR-RTBURBONSA-N 1 1 314.473 4.295 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2cccnc21 ZINC000483703455 1048842690 /nfs/dbraw/zinc/84/26/90/1048842690.db2.gz XUWLKYWGNFAVBM-IBGZPJMESA-N 1 1 323.415 4.382 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001191078645 1048843555 /nfs/dbraw/zinc/84/35/55/1048843555.db2.gz SYPGYJMUCJSJLZ-GOSISDBHSA-N 1 1 308.400 4.070 20 30 DIEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852700201 1048859270 /nfs/dbraw/zinc/85/92/70/1048859270.db2.gz BRXRDAQWVTXABR-SFESLNEESA-N 1 1 304.821 4.005 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000483964109 1048891108 /nfs/dbraw/zinc/89/11/08/1048891108.db2.gz NPYMXHDMSHCKOR-DYVFJYSZSA-N 1 1 312.363 4.214 20 30 DIEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)cc1C#N ZINC001191223465 1048902294 /nfs/dbraw/zinc/90/22/94/1048902294.db2.gz OIDICCHEDWUZCM-LAUBAEHRSA-N 1 1 304.437 4.492 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@H]1c1ccccc1 ZINC001191223197 1048903595 /nfs/dbraw/zinc/90/35/95/1048903595.db2.gz MUUWERQHCULFPC-LAUBAEHRSA-N 1 1 304.437 4.378 20 30 DIEDMO C#CC1([NH2+]Cc2oc3ccccc3c2Br)CCCC1 ZINC001203472644 1048909743 /nfs/dbraw/zinc/90/97/43/1048909743.db2.gz XEMJTLRUGOINGR-UHFFFAOYSA-N 1 1 318.214 4.231 20 30 DIEDMO C=CC[N@H+](Cc1c(OC)cc(OC)cc1OC)C1CCCCC1 ZINC001203516787 1048915839 /nfs/dbraw/zinc/91/58/39/1048915839.db2.gz YWZNOGKJCYNLOB-UHFFFAOYSA-N 1 1 319.445 4.033 20 30 DIEDMO COc1ccc2c(Nc3onc(C(C)(C)C)c3C#N)cc[nH+]c2c1 ZINC001203523730 1048918212 /nfs/dbraw/zinc/91/82/12/1048918212.db2.gz UVECZGFTLVSVBY-UHFFFAOYSA-N 1 1 322.368 4.144 20 30 DIEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC001191530093 1048957486 /nfs/dbraw/zinc/95/74/86/1048957486.db2.gz JINAKATYWGBAQY-VQTJNVASSA-N 1 1 319.489 4.171 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)cc1 ZINC000484573509 1048972950 /nfs/dbraw/zinc/97/29/50/1048972950.db2.gz YDHLMBHEXGMYEJ-FQEVSTJZSA-N 1 1 306.409 4.083 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@]1(C)c1cccc(O)c1 ZINC001203762337 1048993253 /nfs/dbraw/zinc/99/32/53/1048993253.db2.gz DXJOOYGNTLUXTC-HRAATJIYSA-N 1 1 320.436 4.064 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)c1 ZINC001203764348 1048994345 /nfs/dbraw/zinc/99/43/45/1048994345.db2.gz BRMJMPZGWDHULL-NRFANRHFSA-N 1 1 320.411 4.177 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)c1 ZINC001203764357 1048994378 /nfs/dbraw/zinc/99/43/78/1048994378.db2.gz BRMJMPZGWDHULL-OAQYLSRUSA-N 1 1 320.411 4.177 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203830082 1049012673 /nfs/dbraw/zinc/01/26/73/1049012673.db2.gz MMJBEZJLGMLYQS-UHFFFAOYSA-N 1 1 321.461 4.413 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OC)c(C)c1)[C@@H]1CCc2ccccc21 ZINC001203898830 1049028397 /nfs/dbraw/zinc/02/83/97/1049028397.db2.gz OKOGVHSDPHFGHT-HXUWFJFHSA-N 1 1 305.421 4.126 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCc4c3cccc4F)C2)cc1 ZINC001203906947 1049029016 /nfs/dbraw/zinc/02/90/16/1049029016.db2.gz GWKYDYUUQDZRKK-NRFANRHFSA-N 1 1 320.411 4.177 20 30 DIEDMO C=CCCCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001192149725 1049042546 /nfs/dbraw/zinc/04/25/46/1049042546.db2.gz QRHNFOIHTAIASE-UHFFFAOYSA-N 1 1 306.425 4.221 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001151993857 1049049491 /nfs/dbraw/zinc/04/94/91/1049049491.db2.gz YWHHOKMATVUHJQ-GBESFXJTSA-N 1 1 322.537 4.316 20 30 DIEDMO C#CCCCCCC[N@H+]1CCc2cccc(Br)c2C1 ZINC001192225136 1049064775 /nfs/dbraw/zinc/06/47/75/1049064775.db2.gz ZZRMGYPEWPFJPQ-UHFFFAOYSA-N 1 1 320.274 4.391 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC000904517331 1049078966 /nfs/dbraw/zinc/07/89/66/1049078966.db2.gz CHZZRFDBAYUAOV-GFCCVEGCSA-N 1 1 311.307 4.112 20 30 DIEDMO COc1cc(C[N@@H+](CCC#N)C2CCCCCCC2)ccc1O ZINC001204117080 1049086906 /nfs/dbraw/zinc/08/69/06/1049086906.db2.gz YZEFKVVUPUVJBV-UHFFFAOYSA-N 1 1 316.445 4.229 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1)C2 ZINC001204158558 1049100515 /nfs/dbraw/zinc/10/05/15/1049100515.db2.gz YUCRDEPRBYHREM-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@H+](C)CC1(CC#N)CC1 ZINC001192443429 1049106355 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CCCC[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC001204416725 1049160542 /nfs/dbraw/zinc/16/05/42/1049160542.db2.gz LKZYAHMOWYRLRW-UHFFFAOYSA-N 1 1 300.324 4.101 20 30 DIEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(F)c1C#N ZINC001204479820 1049172729 /nfs/dbraw/zinc/17/27/29/1049172729.db2.gz LTGUTFVHOBZHCZ-CJNGLKHVSA-N 1 1 312.363 4.214 20 30 DIEDMO Cc1c(F)cccc1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001204509481 1049179213 /nfs/dbraw/zinc/17/92/13/1049179213.db2.gz DEPFMLMMXYKHFZ-SFHVURJKSA-N 1 1 324.399 4.049 20 30 DIEDMO CSc1ccc(C[NH2+]Cc2c(F)cc(C)cc2F)cc1C#N ZINC001179583485 1049186192 /nfs/dbraw/zinc/18/61/92/1049186192.db2.gz GXJOVSQPKWTZGG-UHFFFAOYSA-N 1 1 318.392 4.157 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001193448447 1049207693 /nfs/dbraw/zinc/20/76/93/1049207693.db2.gz OWCKPSOVCUJMME-UHFFFAOYSA-N 1 1 308.510 4.071 20 30 DIEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857904584 1049208547 /nfs/dbraw/zinc/20/85/47/1049208547.db2.gz 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C=CCN(C)CC[N@H+](CC)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001193913924 1049282349 /nfs/dbraw/zinc/28/23/49/1049282349.db2.gz ONXSQBNWMIGRQU-QGZVFWFLSA-N 1 1 302.506 4.485 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCCC1(C)C ZINC001193920562 1049283479 /nfs/dbraw/zinc/28/34/79/1049283479.db2.gz OWPBTCMYQYFDLL-INIZCTEOSA-N 1 1 306.381 4.301 20 30 DIEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180175490 1049294483 /nfs/dbraw/zinc/29/44/83/1049294483.db2.gz VMOMDJYIESUYKL-GGPKGHCWSA-N 1 1 313.489 4.084 20 30 DIEDMO COc1cccc2c(C[N@@H+](C)Cc3ccc(C#N)cc3)cccc12 ZINC001180168998 1049304466 /nfs/dbraw/zinc/30/44/66/1049304466.db2.gz FJDNXURPFGSUGL-UHFFFAOYSA-N 1 1 316.404 4.352 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C)cc2C)ccc1C#N ZINC001180170654 1049307664 /nfs/dbraw/zinc/30/76/64/1049307664.db2.gz QJJAOVSBMLMFLW-INIZCTEOSA-N 1 1 308.425 4.377 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC001194051511 1049307688 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C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(Cl)c1 ZINC001180280947 1049332956 /nfs/dbraw/zinc/33/29/56/1049332956.db2.gz RLAQKZDGUNRWKT-UHFFFAOYSA-N 1 1 312.800 4.105 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(Cl)c1 ZINC001180280947 1049332965 /nfs/dbraw/zinc/33/29/65/1049332965.db2.gz RLAQKZDGUNRWKT-UHFFFAOYSA-N 1 1 312.800 4.105 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccccc1 ZINC001180281111 1049334027 /nfs/dbraw/zinc/33/40/27/1049334027.db2.gz VRQQRYKKTSNSRO-SFTDATJTSA-N 1 1 302.421 4.350 20 30 DIEDMO C=CC[N@H+](Cc1c(OC)cccc1OC)CC1CCCCC1 ZINC001180292156 1049336116 /nfs/dbraw/zinc/33/61/16/1049336116.db2.gz INIKGCPUJADIGH-UHFFFAOYSA-N 1 1 303.446 4.272 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCc2ccccc21 ZINC001180297012 1049340429 /nfs/dbraw/zinc/34/04/29/1049340429.db2.gz OSHTTXISUWRGFY-BVSLBCMMSA-N 1 1 301.433 4.413 20 30 DIEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000485885987 1049362382 /nfs/dbraw/zinc/36/23/82/1049362382.db2.gz 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/nfs/dbraw/zinc/47/60/98/1049476098.db2.gz BGNTUNWKGFDOAN-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(C)c2)cc1 ZINC000486802421 1049478187 /nfs/dbraw/zinc/47/81/87/1049478187.db2.gz ONOCJJLWHWNRQC-HXUWFJFHSA-N 1 1 306.409 4.212 20 30 DIEDMO C#CCCCCCC[N@@H+]1Cc2cccc(Br)c2C1 ZINC001205477608 1049480723 /nfs/dbraw/zinc/48/07/23/1049480723.db2.gz DLYDFKBXNFYVPP-UHFFFAOYSA-N 1 1 306.247 4.348 20 30 DIEDMO C#CCCCCCC[N@H+]1Cc2cccc(Br)c2C1 ZINC001205477608 1049480731 /nfs/dbraw/zinc/48/07/31/1049480731.db2.gz DLYDFKBXNFYVPP-UHFFFAOYSA-N 1 1 306.247 4.348 20 30 DIEDMO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001205569669 1049500193 /nfs/dbraw/zinc/50/01/93/1049500193.db2.gz VQLOJCPXVVOQSY-LBPRGKRZSA-N 1 1 319.326 4.350 20 30 DIEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001205569669 1049500203 /nfs/dbraw/zinc/50/02/03/1049500203.db2.gz VQLOJCPXVVOQSY-LBPRGKRZSA-N 1 1 319.326 4.350 20 30 DIEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)[C@H](C)c1ccsc1 ZINC001195258224 1049503218 /nfs/dbraw/zinc/50/32/18/1049503218.db2.gz NBYDZWGSGXNNDV-OAHLLOKOSA-N 1 1 314.454 4.470 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC001195358145 1049517028 /nfs/dbraw/zinc/51/70/28/1049517028.db2.gz MBTJHFBEYYVHHJ-INIZCTEOSA-N 1 1 308.425 4.192 20 30 DIEDMO Cc1ccc(F)c(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)c1 ZINC001205661579 1049525580 /nfs/dbraw/zinc/52/55/80/1049525580.db2.gz CQVIIYJRRQQXSO-IBGZPJMESA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000246333884 1049526792 /nfs/dbraw/zinc/52/67/92/1049526792.db2.gz IJEQDYNLRXMSTR-QINHECLXSA-N 1 1 306.409 4.081 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OCC)c1O ZINC000119257517 1049531070 /nfs/dbraw/zinc/53/10/70/1049531070.db2.gz MFFYQLGGBLXEAW-UHFFFAOYSA-N 1 1 324.424 4.075 20 30 DIEDMO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC001205699605 1049537145 /nfs/dbraw/zinc/53/71/45/1049537145.db2.gz FOQLPEBRUJHBEA-INIZCTEOSA-N 1 1 314.458 4.077 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC001205699606 1049538137 /nfs/dbraw/zinc/53/81/37/1049538137.db2.gz FOQLPEBRUJHBEA-MRXNPFEDSA-N 1 1 314.458 4.077 20 30 DIEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCCC[C@H]1C ZINC000249347051 1049540658 /nfs/dbraw/zinc/54/06/58/1049540658.db2.gz JVBGABZRKMIBJW-RHSMWYFYSA-N 1 1 324.428 4.009 20 30 DIEDMO C#C[C@@H]([NH2+]C[C@H](OC)C1CCCCC1)c1ccc(Cl)cc1F ZINC001205755708 1049555232 /nfs/dbraw/zinc/55/52/32/1049555232.db2.gz MYKILJAPQNGJTA-MSOLQXFVSA-N 1 1 323.839 4.338 20 30 DIEDMO C=CCCn1cc(C[N@H+](CCCC)[C@H]2CCC[C@H](C)C2)nn1 ZINC001182072526 1049570127 /nfs/dbraw/zinc/57/01/27/1049570127.db2.gz PYXHIDKDIVHFBE-WMZOPIPTSA-N 1 1 304.482 4.035 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001195799371 1049573041 /nfs/dbraw/zinc/57/30/41/1049573041.db2.gz UOPHKIOOJIWXEJ-QGZVFWFLSA-N 1 1 307.478 4.156 20 30 DIEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@@H]1C ZINC000487988830 1049589400 /nfs/dbraw/zinc/58/94/00/1049589400.db2.gz OBZOIBFZVXBJQN-QFBILLFUSA-N 1 1 314.473 4.125 20 30 DIEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC001195945991 1049596634 /nfs/dbraw/zinc/59/66/34/1049596634.db2.gz DUSXFMVSZUPJSJ-HNNXBMFYSA-N 1 1 323.436 4.070 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 ZINC001195947355 1049598011 /nfs/dbraw/zinc/59/80/11/1049598011.db2.gz SVIFSEFMXMWSDU-WMLDXEAASA-N 1 1 318.848 4.121 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC001195946744 1049598113 /nfs/dbraw/zinc/59/81/13/1049598113.db2.gz MVSKYFSPDHSTRL-MLGOLLRUSA-N 1 1 314.256 4.315 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947180 1049599477 /nfs/dbraw/zinc/59/94/77/1049599477.db2.gz RBXXWFIGJXSFIL-HZPDHXFCSA-N 1 1 311.429 4.394 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001195954932 1049599807 /nfs/dbraw/zinc/59/98/07/1049599807.db2.gz MYEQYYWNOSGERR-WBMJQRKESA-N 1 1 314.256 4.315 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(Cl)c(Cl)cc1O ZINC000774130822 1049608561 /nfs/dbraw/zinc/60/85/61/1049608561.db2.gz LJWBDEJWOCNWFN-JTQLQIEISA-N 1 1 321.207 4.421 20 30 DIEDMO C=CCCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000488200533 1049613641 /nfs/dbraw/zinc/61/36/41/1049613641.db2.gz YRPKLUCRHJKNPD-UHFFFAOYSA-N 1 1 313.445 4.292 20 30 DIEDMO C=C(C)C[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638939 /nfs/dbraw/zinc/63/89/39/1049638939.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 1 1 322.496 4.410 20 30 DIEDMO C=C(C)C[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638942 /nfs/dbraw/zinc/63/89/42/1049638942.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 1 1 322.496 4.410 20 30 DIEDMO C=C(C)C[N@@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638951 /nfs/dbraw/zinc/63/89/51/1049638951.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 1 1 322.496 4.410 20 30 DIEDMO C=C(C)C[N@H+](C)C[C@H](CN(C)Cc1ccccc1)c1ccccc1 ZINC001196293439 1049638956 /nfs/dbraw/zinc/63/89/56/1049638956.db2.gz LOMYGXXAMVZFTL-JOCHJYFZSA-N 1 1 322.496 4.410 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1OC ZINC001182452913 1049658040 /nfs/dbraw/zinc/65/80/40/1049658040.db2.gz QEHRENYFMOQVHZ-MELADBBJSA-N 1 1 323.864 4.390 20 30 DIEDMO C=CCCCCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC001196450999 1049660466 /nfs/dbraw/zinc/66/04/66/1049660466.db2.gz WOOHVKFIMBNORJ-UHFFFAOYSA-N 1 1 324.262 4.390 20 30 DIEDMO C=CCCCCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC001196450999 1049660475 /nfs/dbraw/zinc/66/04/75/1049660475.db2.gz WOOHVKFIMBNORJ-UHFFFAOYSA-N 1 1 324.262 4.390 20 30 DIEDMO C=C(Cl)CN1CC(C)(C)[N@H+](Cc2ccccc2)CC1(C)C ZINC001196497963 1049666468 /nfs/dbraw/zinc/66/64/68/1049666468.db2.gz JPFHPWWPDFHWAV-UHFFFAOYSA-N 1 1 306.881 4.114 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH+]1CC2(C1)CCCCC2 ZINC001206175109 1049675641 /nfs/dbraw/zinc/67/56/41/1049675641.db2.gz ZULGYYILVRDBLV-UHFFFAOYSA-N 1 1 303.833 4.118 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2scnc2c1 ZINC001182499773 1049679455 /nfs/dbraw/zinc/67/94/55/1049679455.db2.gz OUFQXFIKVZSOJL-CYBMUJFWSA-N 1 1 307.422 4.361 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)c(C)c3)C2)c1 ZINC001206263507 1049692412 /nfs/dbraw/zinc/69/24/12/1049692412.db2.gz NESCKCYGRAHNIG-MXVIHJGJSA-N 1 1 320.436 4.253 20 30 DIEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1Cc1csc(C#N)c1 ZINC001206343683 1049716592 /nfs/dbraw/zinc/71/65/92/1049716592.db2.gz SFADKXHYZRXXAD-GOSISDBHSA-N 1 1 314.429 4.356 20 30 DIEDMO COc1ccc(C(C)C)cc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001197116530 1049724313 /nfs/dbraw/zinc/72/43/13/1049724313.db2.gz RIOIZTKHOQOFLY-UHFFFAOYSA-N 1 1 322.452 4.365 20 30 DIEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC001206409184 1049728845 /nfs/dbraw/zinc/72/88/45/1049728845.db2.gz JWNBTSQLOIDSIX-SFHVURJKSA-N 1 1 319.452 4.085 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(F)cc3)c2)C1 ZINC001206463318 1049737926 /nfs/dbraw/zinc/73/79/26/1049737926.db2.gz FJICLEKCBBXRAS-MRXNPFEDSA-N 1 1 309.384 4.463 20 30 DIEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000489430192 1049756845 /nfs/dbraw/zinc/75/68/45/1049756845.db2.gz QGULVGGTLAUEMB-HNNXBMFYSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccccc2OC)n1 ZINC000489430192 1049756850 /nfs/dbraw/zinc/75/68/50/1049756850.db2.gz QGULVGGTLAUEMB-HNNXBMFYSA-N 1 1 314.454 4.359 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1CCCC(=O)Nc1c(C)cccc1C ZINC000489433433 1049757938 /nfs/dbraw/zinc/75/79/38/1049757938.db2.gz UHPSENCBKGWTEN-KRWDZBQOSA-N 1 1 300.446 4.063 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000489459424 1049759129 /nfs/dbraw/zinc/75/91/29/1049759129.db2.gz FXXAECPZEPKLBR-CQSZACIVSA-N 1 1 304.340 4.160 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000489459424 1049759135 /nfs/dbraw/zinc/75/91/35/1049759135.db2.gz FXXAECPZEPKLBR-CQSZACIVSA-N 1 1 304.340 4.160 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC001206597843 1049765530 /nfs/dbraw/zinc/76/55/30/1049765530.db2.gz KWYOQAKINCJEKS-GOSISDBHSA-N 1 1 309.457 4.277 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000489600406 1049771122 /nfs/dbraw/zinc/77/11/22/1049771122.db2.gz WGFQTXGSJCLERF-HXUWFJFHSA-N 1 1 308.400 4.295 20 30 DIEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1(C)CCCC1 ZINC000489866476 1049786477 /nfs/dbraw/zinc/78/64/77/1049786477.db2.gz ZGDAZGZGGLGUOD-UHFFFAOYSA-N 1 1 323.440 4.002 20 30 DIEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1C ZINC001207110437 1049837529 /nfs/dbraw/zinc/83/75/29/1049837529.db2.gz MPPXZPIGNGAYRV-FQEVSTJZSA-N 1 1 307.441 4.241 20 30 DIEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001207197420 1049859772 /nfs/dbraw/zinc/85/97/72/1049859772.db2.gz PUVACXYOAIYLHN-HKUYNNGSSA-N 1 1 310.828 4.447 20 30 DIEDMO C#CC[N@H+](CC1CCC(F)(F)CC1)[C@@H]1CCc2ccccc21 ZINC001207347655 1049881784 /nfs/dbraw/zinc/88/17/84/1049881784.db2.gz HCPQPWMDGVJILP-GOSISDBHSA-N 1 1 303.396 4.435 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccccc1 ZINC001207341586 1049882289 /nfs/dbraw/zinc/88/22/89/1049882289.db2.gz PZPBNVLUZWDJEZ-QGZVFWFLSA-N 1 1 313.397 4.253 20 30 DIEDMO CCCC[N@H+](CC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207412851 1049889523 /nfs/dbraw/zinc/88/95/23/1049889523.db2.gz MALQEIJFHGIZFQ-GOSISDBHSA-N 1 1 306.494 4.280 20 30 DIEDMO CCCC[N@@H+](CC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207412851 1049889528 /nfs/dbraw/zinc/88/95/28/1049889528.db2.gz MALQEIJFHGIZFQ-GOSISDBHSA-N 1 1 306.494 4.280 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)c(F)c1 ZINC001207535646 1049905853 /nfs/dbraw/zinc/90/58/53/1049905853.db2.gz KMJMGYUSXBZINB-UHFFFAOYSA-N 1 1 322.383 4.015 20 30 DIEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)c(F)c1 ZINC001207535646 1049905860 /nfs/dbraw/zinc/90/58/60/1049905860.db2.gz KMJMGYUSXBZINB-UHFFFAOYSA-N 1 1 322.383 4.015 20 30 DIEDMO N#CCC[N@H+](CCc1ccccc1Br)C1CCCC1 ZINC001207532420 1049906442 /nfs/dbraw/zinc/90/64/42/1049906442.db2.gz RDHKNDJXCLLUMQ-UHFFFAOYSA-N 1 1 321.262 4.150 20 30 DIEDMO C[C@H](CCCC(C)(C)O)CC[N@H+](CCC#N)Cc1ccccc1 ZINC001207636874 1049919949 /nfs/dbraw/zinc/91/99/49/1049919949.db2.gz YRSODLZAAGKFGI-GOSISDBHSA-N 1 1 316.489 4.370 20 30 DIEDMO C[C@H](CCCC(C)(C)O)CC[N@@H+](CCC#N)Cc1ccccc1 ZINC001207636874 1049919957 /nfs/dbraw/zinc/91/99/57/1049919957.db2.gz YRSODLZAAGKFGI-GOSISDBHSA-N 1 1 316.489 4.370 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC001207799607 1049940013 /nfs/dbraw/zinc/94/00/13/1049940013.db2.gz FQJFJIGENAMFRZ-QGZVFWFLSA-N 1 1 320.436 4.158 20 30 DIEDMO C=CCCCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001207899423 1049950543 /nfs/dbraw/zinc/95/05/43/1049950543.db2.gz ZJJBOCBSBFJKIA-FQEVSTJZSA-N 1 1 322.537 4.090 20 30 DIEDMO CCCCCCC/C=C/C[N@H+]1CCn2cnc(COCC)c2C1 ZINC001208119172 1049975219 /nfs/dbraw/zinc/97/52/19/1049975219.db2.gz XKUJUKQKTVFCTK-ZHACJKMWSA-N 1 1 319.493 4.152 20 30 DIEDMO CCCCCCC/C=C/C[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001208119172 1049975216 /nfs/dbraw/zinc/97/52/16/1049975216.db2.gz XKUJUKQKTVFCTK-ZHACJKMWSA-N 1 1 319.493 4.152 20 30 DIEDMO CCCCCCC/C=C/C[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001208118703 1049975569 /nfs/dbraw/zinc/97/55/69/1049975569.db2.gz MXKHADWWXLGWJX-CMDGGOBGSA-N 1 1 307.869 4.405 20 30 DIEDMO CCCCCCC/C=C/C[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001208118494 1049975647 /nfs/dbraw/zinc/97/56/47/1049975647.db2.gz JNSSDSJWQPQBET-BQYDLMEBSA-N 1 1 320.521 4.380 20 30 DIEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC001208119988 1049975857 /nfs/dbraw/zinc/97/58/57/1049975857.db2.gz KBXUTNKWSNBSSA-FVNWOWOISA-N 1 1 305.466 4.474 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001208177092 1049980994 /nfs/dbraw/zinc/98/09/94/1049980994.db2.gz MUHKSLJAULEAFU-GOSISDBHSA-N 1 1 315.457 4.438 20 30 DIEDMO C=C(C)[C@@H]1CC=C(C[NH+]2Cc3cc(OC)c(OC)cc3C2)CC1 ZINC001208179162 1049982301 /nfs/dbraw/zinc/98/23/01/1049982301.db2.gz ONABCSMIHNHFCX-MRXNPFEDSA-N 1 1 313.441 4.322 20 30 DIEDMO C=CCCCC[N@H+](C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001208237249 1049988679 /nfs/dbraw/zinc/98/86/79/1049988679.db2.gz DSDKOJBOEKYPGL-QGZVFWFLSA-N 1 1 324.509 4.312 20 30 DIEDMO CCCCN(CCC#N)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208589573 1049996707 /nfs/dbraw/zinc/99/67/07/1049996707.db2.gz WHGKMXMRBJJNPE-FQEVSTJZSA-N 1 1 313.489 4.057 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC001208690354 1050002249 /nfs/dbraw/zinc/00/22/49/1050002249.db2.gz JQIXKDMATAWYFO-OAHLLOKOSA-N 1 1 310.363 4.264 20 30 DIEDMO C[C@H](C[N@H+]1CCC2SC(=O)C=C2C1)c1cccc2ccccc21 ZINC001208710079 1050005502 /nfs/dbraw/zinc/00/55/02/1050005502.db2.gz NSEDMYHEPGTZPK-AUUYWEPGSA-N 1 1 323.461 4.217 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208831700 1050013622 /nfs/dbraw/zinc/01/36/22/1050013622.db2.gz QKEQBJAYSRNRAH-AWEZNQCLSA-N 1 1 310.363 4.264 20 30 DIEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001208853874 1050017488 /nfs/dbraw/zinc/01/74/88/1050017488.db2.gz ZPOYTEIGHFOPBE-HXUWFJFHSA-N 1 1 308.400 4.467 20 30 DIEDMO N#Cc1cccc(CCC[N@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC001208853531 1050017681 /nfs/dbraw/zinc/01/76/81/1050017681.db2.gz PJVGWAOPVCQKOD-FQEVSTJZSA-N 1 1 322.477 4.281 20 30 DIEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC001208856121 1050017858 /nfs/dbraw/zinc/01/78/58/1050017858.db2.gz AKPPZWGNFAEIOQ-GOSISDBHSA-N 1 1 308.400 4.119 20 30 DIEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC001208863751 1050018115 /nfs/dbraw/zinc/01/81/15/1050018115.db2.gz KRPQQYLKKBJGTH-OAQYLSRUSA-N 1 1 322.427 4.337 20 30 DIEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CCc1ccc(Cl)cc1 ZINC001208862707 1050018198 /nfs/dbraw/zinc/01/81/98/1050018198.db2.gz OLOJVSDKKUQXCF-UHFFFAOYSA-N 1 1 312.844 4.319 20 30 DIEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccc(N(C)C)cc1 ZINC001208864921 1050018428 /nfs/dbraw/zinc/01/84/28/1050018428.db2.gz 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/nfs/dbraw/zinc/36/59/02/1051365902.db2.gz WLMDKRHDOFMSCY-SFHVURJKSA-N 1 1 316.404 4.059 20 30 DIEDMO CCCCCCC[C@@H](CC)[NH2+]C1CCN(CCCOC)CC1 ZINC001172346751 1051366523 /nfs/dbraw/zinc/36/65/23/1051366523.db2.gz LXNSYTGTWUXOSK-GOSISDBHSA-N 1 1 312.542 4.216 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000192085274 1051366786 /nfs/dbraw/zinc/36/67/86/1051366786.db2.gz WLMDKRHDOFMSCY-GOSISDBHSA-N 1 1 316.404 4.059 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001172355071 1051370856 /nfs/dbraw/zinc/37/08/56/1051370856.db2.gz MHRLPLHNVRYGJY-KRWDZBQOSA-N 1 1 321.509 4.374 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cnc(COCC)c2C1 ZINC001172355071 1051370869 /nfs/dbraw/zinc/37/08/69/1051370869.db2.gz MHRLPLHNVRYGJY-KRWDZBQOSA-N 1 1 321.509 4.374 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172354520 1051370950 /nfs/dbraw/zinc/37/09/50/1051370950.db2.gz IUNIQIGZAZUOPZ-MRXNPFEDSA-N 1 1 304.482 4.110 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001172354520 1051370960 /nfs/dbraw/zinc/37/09/60/1051370960.db2.gz IUNIQIGZAZUOPZ-MRXNPFEDSA-N 1 1 304.482 4.110 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172357653 1051372007 /nfs/dbraw/zinc/37/20/07/1051372007.db2.gz LKDBKRASJWCEJL-ZWKOTPCHSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001172357653 1051372021 /nfs/dbraw/zinc/37/20/21/1051372021.db2.gz LKDBKRASJWCEJL-ZWKOTPCHSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001172357925 1051373144 /nfs/dbraw/zinc/37/31/44/1051373144.db2.gz NASJBLSORNEGPK-GJZGRUSLSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362115 1051373912 /nfs/dbraw/zinc/37/39/12/1051373912.db2.gz SNAONYMLODRANX-RCCFBDPRSA-N 1 1 308.510 4.068 20 30 DIEDMO C[C@H](CCCC#N)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001172497318 1051418538 /nfs/dbraw/zinc/41/85/38/1051418538.db2.gz ATEHXUMBWHAAAY-GOSISDBHSA-N 1 1 321.468 4.040 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001172499325 1051420083 /nfs/dbraw/zinc/42/00/83/1051420083.db2.gz CWYLHOJUGARPIJ-WMLDXEAASA-N 1 1 306.837 4.266 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC001172501265 1051420161 /nfs/dbraw/zinc/42/01/61/1051420161.db2.gz PTXRZTQRUBVXHT-DZGCQCFKSA-N 1 1 321.262 4.321 20 30 DIEDMO COC(=O)c1ccc([C@@H]2CCCC[N@H+]2[C@H](C)CCCC#N)cc1 ZINC001172501596 1051420567 /nfs/dbraw/zinc/42/05/67/1051420567.db2.gz DSPRKTRHHRQUSG-QAPCUYQASA-N 1 1 314.429 4.083 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172501779 1051420806 /nfs/dbraw/zinc/42/08/06/1051420806.db2.gz JZCPYQZRZYQJBD-QYZOEREBSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001172505019 1051421988 /nfs/dbraw/zinc/42/19/88/1051421988.db2.gz IULGBUOSMAJVBH-MRXNPFEDSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001172509126 1051426636 /nfs/dbraw/zinc/42/66/36/1051426636.db2.gz SZZKEEOZYUMJHP-IEBWSBKVSA-N 1 1 308.510 4.118 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172508835 1051426666 /nfs/dbraw/zinc/42/66/66/1051426666.db2.gz HQNLLWUEYQRRQV-FUHWJXTLSA-N 1 1 300.446 4.032 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001172509460 1051426935 /nfs/dbraw/zinc/42/69/35/1051426935.db2.gz LZCAQJFOLUNTCZ-LBPRGKRZSA-N 1 1 312.335 4.026 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172508834 1051427076 /nfs/dbraw/zinc/42/70/76/1051427076.db2.gz HQNLLWUEYQRRQV-AEFFLSMTSA-N 1 1 300.446 4.032 20 30 DIEDMO N#CCC[N@H+](Cc1cccnc1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555909 1051438549 /nfs/dbraw/zinc/43/85/49/1051438549.db2.gz GIJJMSWPBCHRNP-UXHICEINSA-N 1 1 305.425 4.134 20 30 DIEDMO N#CCC[N@@H+](Cc1cccnc1)[C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172555909 1051438556 /nfs/dbraw/zinc/43/85/56/1051438556.db2.gz GIJJMSWPBCHRNP-UXHICEINSA-N 1 1 305.425 4.134 20 30 DIEDMO CCCCCCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804562118 1051460470 /nfs/dbraw/zinc/46/04/70/1051460470.db2.gz FKQDCEVHXRZWAV-JWTNVVGKSA-N 1 1 308.510 4.211 20 30 DIEDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616038 1051461095 /nfs/dbraw/zinc/46/10/95/1051461095.db2.gz KETXKXSDENQDRB-AEFFLSMTSA-N 1 1 320.477 4.047 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CCC(=O)OC(C)C ZINC001172761920 1051499321 /nfs/dbraw/zinc/49/93/21/1051499321.db2.gz HLEZVNRXOGIRRS-QGZVFWFLSA-N 1 1 303.446 4.185 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCC(=O)OC(C)C ZINC001172761914 1051499464 /nfs/dbraw/zinc/49/94/64/1051499464.db2.gz HLEZVNRXOGIRRS-KRWDZBQOSA-N 1 1 303.446 4.185 20 30 DIEDMO Cc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)Cc1ccccc1)CC2 ZINC001172839952 1051528790 /nfs/dbraw/zinc/52/87/90/1051528790.db2.gz YDNARMSPFWTKBU-NRFANRHFSA-N 1 1 304.437 4.268 20 30 DIEDMO C=CCN1CCC([NH2+][C@@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000177908170 1051554598 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C=CC[N@@H+](Cc1ccccc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173233321 1051640531 /nfs/dbraw/zinc/64/05/31/1051640531.db2.gz KXELSRKZHYIIEH-MRXNPFEDSA-N 1 1 310.397 4.214 20 30 DIEDMO C[C@@H](CC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001173208493 1051647264 /nfs/dbraw/zinc/64/72/64/1051647264.db2.gz AROCVYXENQQXQM-ROUUACIJSA-N 1 1 304.437 4.443 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](CCCC)CC(C)C)C2)C1=O ZINC001173263269 1051662852 /nfs/dbraw/zinc/66/28/52/1051662852.db2.gz VNKSBDFINDCAMQ-AZUAARDMSA-N 1 1 320.521 4.092 20 30 DIEDMO CCCCCCCCC[C@H](CCC)n1cnc(C[NH3+])cc1=N ZINC001173284920 1051688062 /nfs/dbraw/zinc/68/80/62/1051688062.db2.gz KXUUXOUEFRAHQN-KRWDZBQOSA-N 1 1 306.498 4.303 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC001173321138 1051692103 /nfs/dbraw/zinc/69/21/03/1051692103.db2.gz XNVSKAJXSTXBQH-QNGMFEMESA-N 1 1 313.485 4.455 20 30 DIEDMO CCCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1O ZINC001169755162 1051692499 /nfs/dbraw/zinc/69/24/99/1051692499.db2.gz UVFRNSIWFDPWFF-UHFFFAOYSA-N 1 1 311.400 4.185 20 30 DIEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC001173327036 1051692730 /nfs/dbraw/zinc/69/27/30/1051692730.db2.gz BRKNZHZCGWNSCF-GTPINHCMSA-N 1 1 303.421 4.129 20 30 DIEDMO C=C(C)CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC001169754101 1051692834 /nfs/dbraw/zinc/69/28/34/1051692834.db2.gz GBGCPNGDDZZDKW-OAHLLOKOSA-N 1 1 303.446 4.271 20 30 DIEDMO C=C(C)CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC001169754100 1051692862 /nfs/dbraw/zinc/69/28/62/1051692862.db2.gz GBGCPNGDDZZDKW-HNNXBMFYSA-N 1 1 303.446 4.271 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCc3c4ccccc4oc3C2)CC1 ZINC001173326393 1051693278 /nfs/dbraw/zinc/69/32/78/1051693278.db2.gz GLDNCPKZLZWLJL-UHFFFAOYSA-N 1 1 311.425 4.305 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(=O)O[C@H](C#N)C(C)(C)C)cc1)C(C)C ZINC000805914476 1051698693 /nfs/dbraw/zinc/69/86/93/1051698693.db2.gz KPSBVHJDEBKOHZ-QGZVFWFLSA-N 1 1 316.445 4.012 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173339346 1051698816 /nfs/dbraw/zinc/69/88/16/1051698816.db2.gz FVNYXIFXEDMORX-NKELODKYSA-N 1 1 312.457 4.442 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCSC[C@@H]2c2ccc(F)cc2)CC1 ZINC001173338829 1051698948 /nfs/dbraw/zinc/69/89/48/1051698948.db2.gz JDCFJQHHIWFWNS-IUPXNIOVSA-N 1 1 318.461 4.388 20 30 DIEDMO N#CCC1CCC([N@@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC001173339521 1051699511 /nfs/dbraw/zinc/69/95/11/1051699511.db2.gz QQELBSSGOGJROO-UHFFFAOYSA-N 1 1 312.457 4.140 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)c1 ZINC001173341524 1051700955 /nfs/dbraw/zinc/70/09/55/1051700955.db2.gz YONKGEDIENZOFR-AVAKVYKDSA-N 1 1 312.457 4.347 20 30 DIEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(C)c1 ZINC001169791879 1051701796 /nfs/dbraw/zinc/70/17/96/1051701796.db2.gz OYJNJTQETOKUDN-MRXNPFEDSA-N 1 1 324.262 4.097 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001169791863 1051702154 /nfs/dbraw/zinc/70/21/54/1051702154.db2.gz OBSDXHJYAJHMRY-OALUTQOASA-N 1 1 311.510 4.397 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccc(C#N)c1 ZINC000766851963 1051709739 /nfs/dbraw/zinc/70/97/39/1051709739.db2.gz HRPKXIXJTMXJPE-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC001173319898 1051713229 /nfs/dbraw/zinc/71/32/29/1051713229.db2.gz AEEGJWINZIMYMT-QLOJAFMTSA-N 1 1 315.457 4.044 20 30 DIEDMO C=C(C)C[N@H+](CCOc1ccccc1OC)Cc1ccccc1 ZINC001169952519 1051736186 /nfs/dbraw/zinc/73/61/86/1051736186.db2.gz KGFFUXKTWXVVJW-UHFFFAOYSA-N 1 1 311.425 4.152 20 30 DIEDMO C#CCCC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000766896411 1051739690 /nfs/dbraw/zinc/73/96/90/1051739690.db2.gz OAEDYQXLXYPWSY-UHFFFAOYSA-N 1 1 323.436 4.119 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1)c1ccn(C2CCC(C)(C#N)CC2)n1 ZINC001173597961 1051757993 /nfs/dbraw/zinc/75/79/93/1051757993.db2.gz KHORKEKIOIWFCS-VQSBYGRUSA-N 1 1 322.456 4.379 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173601420 1051760215 /nfs/dbraw/zinc/76/02/15/1051760215.db2.gz 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CJJRRETZBJAEQA-KRWDZBQOSA-N 1 1 316.445 4.142 20 30 DIEDMO Cc1ccc(CC[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)cc1 ZINC001231820516 1053874667 /nfs/dbraw/zinc/87/46/67/1053874667.db2.gz NCJLELIWWQOVGG-UHFFFAOYSA-N 1 1 321.468 4.019 20 30 DIEDMO N#CCC1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2F)CC1 ZINC001231856370 1053889387 /nfs/dbraw/zinc/88/93/87/1053889387.db2.gz LDDJDXDRKVLDBO-UHFFFAOYSA-N 1 1 318.289 4.109 20 30 DIEDMO Cc1cnc(C(C)(C)[NH2+]Cc2cc(Cl)cc(C#N)c2)s1 ZINC001354599033 1053920712 /nfs/dbraw/zinc/92/07/12/1053920712.db2.gz FNXRCZVCSWYRIC-UHFFFAOYSA-N 1 1 305.834 4.002 20 30 DIEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232006894 1053938232 /nfs/dbraw/zinc/93/82/32/1053938232.db2.gz PULQHFCMZQKWTO-DVSIDAKKSA-N 1 1 308.347 4.280 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2c1cccc2Br ZINC001232022407 1053943749 /nfs/dbraw/zinc/94/37/49/1053943749.db2.gz WPAZUTQRZPMNHL-UHFFFAOYSA-N 1 1 307.235 4.328 20 30 DIEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc(Cl)ccc1OCC#N ZINC001328992507 1053960045 /nfs/dbraw/zinc/96/00/45/1053960045.db2.gz LDUHBHDFUIVMTI-YOEHRIQHSA-N 1 1 304.821 4.007 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)c(Cl)c2)cc1 ZINC001232115401 1053964707 /nfs/dbraw/zinc/96/47/07/1053964707.db2.gz NZUQADJIUQRNCC-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115338 1053966360 /nfs/dbraw/zinc/96/63/60/1053966360.db2.gz LGMURJQQBOEKRM-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CCCCCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001300722277 1053975720 /nfs/dbraw/zinc/97/57/20/1053975720.db2.gz FLFHBIZHXMKKFS-QGZVFWFLSA-N 1 1 310.526 4.364 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(O)cc1O ZINC001232266992 1054007168 /nfs/dbraw/zinc/00/71/68/1054007168.db2.gz HDGBZCXAOJZSDS-UHFFFAOYSA-N 1 1 317.816 4.330 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(OC)cc1O ZINC001232267913 1054008603 /nfs/dbraw/zinc/00/86/03/1054008603.db2.gz JWYSBJFIUNZJRG-UHFFFAOYSA-N 1 1 317.816 4.242 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Br)c1N)C1CCCCC1 ZINC001232527622 1054064588 /nfs/dbraw/zinc/06/45/88/1054064588.db2.gz DLGQTJYSQOKOMH-UHFFFAOYSA-N 1 1 323.278 4.352 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001232609346 1054081704 /nfs/dbraw/zinc/08/17/04/1054081704.db2.gz YGCWSCMIZJPVIJ-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001232609346 1054081713 /nfs/dbraw/zinc/08/17/13/1054081713.db2.gz YGCWSCMIZJPVIJ-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001232609540 1054082002 /nfs/dbraw/zinc/08/20/02/1054082002.db2.gz HRTIHJCYGPJDNW-INIZCTEOSA-N 1 1 306.812 4.316 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001232609846 1054083102 /nfs/dbraw/zinc/08/31/02/1054083102.db2.gz WJIOEVPMPNOJMK-UHFFFAOYSA-N 1 1 306.812 4.316 20 30 DIEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(Cl)cc1C#N ZINC001232609900 1054083234 /nfs/dbraw/zinc/08/32/34/1054083234.db2.gz YUDLSFTULVGMFA-GORDUTHDSA-N 1 1 311.816 4.142 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232888180 1054140273 /nfs/dbraw/zinc/14/02/73/1054140273.db2.gz DYUVAEWCSYXFAV-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO CCC[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@H](C)CC ZINC001232892750 1054141831 /nfs/dbraw/zinc/14/18/31/1054141831.db2.gz WCEPONIFYUEKNN-GFCCVEGCSA-N 1 1 309.251 4.331 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001232893939 1054144327 /nfs/dbraw/zinc/14/43/27/1054144327.db2.gz LMYKAZVMSHFVKY-KRWDZBQOSA-N 1 1 324.399 4.086 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001232893939 1054144329 /nfs/dbraw/zinc/14/43/29/1054144329.db2.gz LMYKAZVMSHFVKY-KRWDZBQOSA-N 1 1 324.399 4.086 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1Br ZINC001232899724 1054144762 /nfs/dbraw/zinc/14/47/62/1054144762.db2.gz UOAKZWGJBMHJQB-XJKSGUPXSA-N 1 1 319.246 4.085 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)CC1 ZINC001232947745 1054155212 /nfs/dbraw/zinc/15/52/12/1054155212.db2.gz IQMLOIUOBZLWFB-GFCCVEGCSA-N 1 1 314.376 4.424 20 30 DIEDMO Cc1ccc(C[NH+]2CCC(Oc3ccccc3C)CC2)c(C#N)c1 ZINC001232962781 1054158249 /nfs/dbraw/zinc/15/82/49/1054158249.db2.gz QUXZTKDIMKWUKM-UHFFFAOYSA-N 1 1 320.436 4.219 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969282 1054161549 /nfs/dbraw/zinc/16/15/49/1054161549.db2.gz NPIQOWSYTZTAPZ-FQEVSTJZSA-N 1 1 308.400 4.213 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c(C#N)c1 ZINC001232969283 1054162322 /nfs/dbraw/zinc/16/23/22/1054162322.db2.gz NPIQOWSYTZTAPZ-HXUWFJFHSA-N 1 1 308.400 4.213 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c([O-])cc(Br)cc1F ZINC001233029960 1054174990 /nfs/dbraw/zinc/17/49/90/1054174990.db2.gz MCAHIDQPCGJYDS-UHFFFAOYSA-N 1 1 316.214 4.082 20 30 DIEDMO C=CC[N@@H+](Cc1c([O-])cc(Br)cc1F)C(C)(C)C ZINC001233030574 1054175088 /nfs/dbraw/zinc/17/50/88/1054175088.db2.gz YVBINJSPXMQVOH-UHFFFAOYSA-N 1 1 316.214 4.080 20 30 DIEDMO CC(C)(C)Oc1ccc([C@H]2CC[N@@H+](Cc3[nH]ccc3C#N)C2)cc1 ZINC001233049679 1054177610 /nfs/dbraw/zinc/17/76/10/1054177610.db2.gz SNIPQRPDYCTPRP-KRWDZBQOSA-N 1 1 323.440 4.053 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001233083439 1054182376 /nfs/dbraw/zinc/18/23/76/1054182376.db2.gz KSAPGGMHYBNMDA-SFHVURJKSA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001233083439 1054182384 /nfs/dbraw/zinc/18/23/84/1054182384.db2.gz KSAPGGMHYBNMDA-SFHVURJKSA-N 1 1 312.363 4.482 20 30 DIEDMO CC[N@H+](Cc1ccc(C#N)cc1C)Cc1cccc(F)c1F ZINC001233083195 1054182560 /nfs/dbraw/zinc/18/25/60/1054182560.db2.gz ACWFRHKHHJSRLB-UHFFFAOYSA-N 1 1 300.352 4.167 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)Cc1cccc(F)c1F ZINC001233083195 1054182561 /nfs/dbraw/zinc/18/25/61/1054182561.db2.gz ACWFRHKHHJSRLB-UHFFFAOYSA-N 1 1 300.352 4.167 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1C ZINC001233083202 1054183007 /nfs/dbraw/zinc/18/30/07/1054183007.db2.gz AGPFKCVUQMPQFM-FQEVSTJZSA-N 1 1 320.436 4.350 20 30 DIEDMO CCC[C@@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC001233083202 1054183014 /nfs/dbraw/zinc/18/30/14/1054183014.db2.gz AGPFKCVUQMPQFM-FQEVSTJZSA-N 1 1 320.436 4.350 20 30 DIEDMO CCOc1c(Cl)cc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001233106036 1054185814 /nfs/dbraw/zinc/18/58/14/1054185814.db2.gz UUQIJIYLKPQENR-UHFFFAOYSA-N 1 1 320.285 4.286 20 30 DIEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1OCc1ccccc1 ZINC001233328298 1054232598 /nfs/dbraw/zinc/23/25/98/1054232598.db2.gz CLNGTNMZIVMHEC-UHFFFAOYSA-N 1 1 320.436 4.228 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001233376735 1054253562 /nfs/dbraw/zinc/25/35/62/1054253562.db2.gz YGVQCMOTOIVBEH-LJQANCHMSA-N 1 1 310.828 4.045 20 30 DIEDMO C#CC[N@H+](Cc1ccc(N)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001233376735 1054253580 /nfs/dbraw/zinc/25/35/80/1054253580.db2.gz YGVQCMOTOIVBEH-LJQANCHMSA-N 1 1 310.828 4.045 20 30 DIEDMO CC(C)[N@H+]1CC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512194 1054286645 /nfs/dbraw/zinc/28/66/45/1054286645.db2.gz LPWVMYOTFBKUGQ-HXUWFJFHSA-N 1 1 306.409 4.087 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001440205164 1054339807 /nfs/dbraw/zinc/33/98/07/1054339807.db2.gz VYPFEGDLPFELPF-INDMIFKZSA-N 1 1 322.537 4.220 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001440205162 1054340807 /nfs/dbraw/zinc/34/08/07/1054340807.db2.gz VYPFEGDLPFELPF-CADBVGFASA-N 1 1 322.537 4.220 20 30 DIEDMO C[Si](C)(C)C#C[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001233747810 1054350647 /nfs/dbraw/zinc/35/06/47/1054350647.db2.gz CQZDOSLYPQORTD-SFHVURJKSA-N 1 1 320.468 4.335 20 30 DIEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860983 1054375832 /nfs/dbraw/zinc/37/58/32/1054375832.db2.gz KSHDVYHAGLTFRJ-FQEVSTJZSA-N 1 1 306.409 4.087 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC001233865838 1054376465 /nfs/dbraw/zinc/37/64/65/1054376465.db2.gz KFBAIUGDBHOSAN-LJQANCHMSA-N 1 1 306.409 4.088 20 30 DIEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233860723 1054377518 /nfs/dbraw/zinc/37/75/18/1054377518.db2.gz HUQRKIBXGJYCGD-NRFANRHFSA-N 1 1 320.436 4.477 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001442558898 1054425303 /nfs/dbraw/zinc/42/53/03/1054425303.db2.gz LXCNABLQBDXIPQ-NRJHKNTJSA-N 1 1 320.521 4.380 20 30 DIEDMO Cc1cccc(N(C)c2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)c1 ZINC001234177861 1054449364 /nfs/dbraw/zinc/44/93/64/1054449364.db2.gz CBWSOMCZVOGLJK-IBGZPJMESA-N 1 1 319.452 4.499 20 30 DIEDMO Cc1cccc(N(C)c2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)c1 ZINC001234177861 1054449371 /nfs/dbraw/zinc/44/93/71/1054449371.db2.gz CBWSOMCZVOGLJK-IBGZPJMESA-N 1 1 319.452 4.499 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001343831940 1054454000 /nfs/dbraw/zinc/45/40/00/1054454000.db2.gz OUGPGONZTSJAKZ-INIZCTEOSA-N 1 1 324.472 4.462 20 30 DIEDMO CN(c1ccc(F)cc1)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001234298882 1054490036 /nfs/dbraw/zinc/49/00/36/1054490036.db2.gz HGEQCSOAHXQIKV-KRWDZBQOSA-N 1 1 323.415 4.329 20 30 DIEDMO CN(c1ccc(F)cc1)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001234298882 1054490050 /nfs/dbraw/zinc/49/00/50/1054490050.db2.gz HGEQCSOAHXQIKV-KRWDZBQOSA-N 1 1 323.415 4.329 20 30 DIEDMO CC(C)c1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC001345153734 1054490614 /nfs/dbraw/zinc/49/06/14/1054490614.db2.gz LXHKDLZNXBBRJI-QGZVFWFLSA-N 1 1 311.454 4.305 20 30 DIEDMO C=C(C)[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000623495486 1054609514 /nfs/dbraw/zinc/60/95/14/1054609514.db2.gz DRVWIVVHZOSOEP-WMLDXEAASA-N 1 1 308.416 4.044 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001450355761 1054645461 /nfs/dbraw/zinc/64/54/61/1054645461.db2.gz VMSYIWPFICDNRT-YVNCXZRQSA-N 1 1 320.521 4.238 20 30 DIEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473433979 1054713865 /nfs/dbraw/zinc/71/38/65/1054713865.db2.gz ZSENZXNMVKSQDG-UWJYYQICSA-N 1 1 304.437 4.439 20 30 DIEDMO C=CCN(C)CC[N@H+](CC)CC1CCC(c2ccccc2)CC1 ZINC001473431311 1054717670 /nfs/dbraw/zinc/71/76/70/1054717670.db2.gz AGOJSXCLKDJDLO-UHFFFAOYSA-N 1 1 314.517 4.400 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)CCCC1(C)C ZINC001473433057 1054720839 /nfs/dbraw/zinc/72/08/39/1054720839.db2.gz QUSGVMMBJQIWCI-ROUUACIJSA-N 1 1 321.892 4.310 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2nc(CCC(C)C)no2)CCCC1(C)C ZINC001473432150 1054721378 /nfs/dbraw/zinc/72/13/78/1054721378.db2.gz JWYGDTSRQFHLDX-HNNXBMFYSA-N 1 1 305.466 4.225 20 30 DIEDMO C=CC[C@H]1[N@H+](CCOCCOc2ccccc2)CCCC1(C)C ZINC001473431897 1054721453 /nfs/dbraw/zinc/72/14/53/1054721453.db2.gz IJEFYKQSWDXLHE-LJQANCHMSA-N 1 1 317.473 4.149 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccoc2)no1)c1ccccc1 ZINC000180040244 1054728074 /nfs/dbraw/zinc/72/80/74/1054728074.db2.gz WNEJZCWTCCTIDJ-MRXNPFEDSA-N 1 1 309.369 4.127 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001235524906 1054738315 /nfs/dbraw/zinc/73/83/15/1054738315.db2.gz CDNYEROVIHYQPX-SFHVURJKSA-N 1 1 310.828 4.396 20 30 DIEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001235529131 1054738515 /nfs/dbraw/zinc/73/85/15/1054738515.db2.gz XJNFFEXOCVRQJJ-FQEVSTJZSA-N 1 1 308.400 4.099 20 30 DIEDMO CC(C)(C)c1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001235676435 1054770967 /nfs/dbraw/zinc/77/09/67/1054770967.db2.gz SLARZHWGEVSWOS-UHFFFAOYSA-N 1 1 320.436 4.120 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001454892767 1054786914 /nfs/dbraw/zinc/78/69/14/1054786914.db2.gz RWRHWBKIHGZEKP-JKIKYLSZSA-N 1 1 322.537 4.482 20 30 DIEDMO Cc1nc(F)ccc1C[N@H+](CCC#N)C1CCCCCCC1 ZINC001235814208 1054813151 /nfs/dbraw/zinc/81/31/51/1054813151.db2.gz BODPCWRONFEEDZ-UHFFFAOYSA-N 1 1 303.425 4.358 20 30 DIEDMO Cc1nc(F)ccc1C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001235814208 1054813164 /nfs/dbraw/zinc/81/31/64/1054813164.db2.gz BODPCWRONFEEDZ-UHFFFAOYSA-N 1 1 303.425 4.358 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2c[nH]c3ccccc32)cc1 ZINC001236192204 1054989662 /nfs/dbraw/zinc/98/96/62/1054989662.db2.gz OHCFCRMQXVAVOP-NRFANRHFSA-N 1 1 300.405 4.486 20 30 DIEDMO CC[NH+](CC)Cc1ccc(F)c(-c2nccc3[nH]cc(C#N)c32)c1 ZINC001236318385 1055055374 /nfs/dbraw/zinc/05/53/74/1055055374.db2.gz RVLKTKOWHKLPPV-UHFFFAOYSA-N 1 1 322.387 4.082 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184083441 1055068041 /nfs/dbraw/zinc/06/80/41/1055068041.db2.gz ALVJVSIBRKYGFR-GFCCVEGCSA-N 1 1 315.398 4.105 20 30 DIEDMO Cc1nccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C#N ZINC001236472804 1055132043 /nfs/dbraw/zinc/13/20/43/1055132043.db2.gz JEQQDBFCYNEAOA-MOPGFXCFSA-N 1 1 315.420 4.082 20 30 DIEDMO C=CCCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001536600537 1055138337 /nfs/dbraw/zinc/13/83/37/1055138337.db2.gz ZYOAEHYRQOVDRV-MOPGFXCFSA-N 1 1 314.473 4.073 20 30 DIEDMO COc1ccsc1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000764441338 1055188238 /nfs/dbraw/zinc/18/82/38/1055188238.db2.gz GVFQSDQYKCQXLL-FPLPWBNLSA-N 1 1 324.405 4.147 20 30 DIEDMO 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CC(C)Oc1c(F)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001238320024 1055638620 /nfs/dbraw/zinc/63/86/20/1055638620.db2.gz OTSAAJZOBDZAMQ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(F)c2OCc2ccccc2)C1 ZINC001238338077 1055641492 /nfs/dbraw/zinc/64/14/92/1055641492.db2.gz NRFWPGQAFDLRBN-KRWDZBQOSA-N 1 1 323.411 4.250 20 30 DIEDMO C=CC[N@@H+](C)Cc1ccc(OCc2ccccc2)c(F)c1F ZINC001238350859 1055643635 /nfs/dbraw/zinc/64/36/35/1055643635.db2.gz CHGWRBXPEOLQCK-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(F)c1F ZINC001238350859 1055643641 /nfs/dbraw/zinc/64/36/41/1055643641.db2.gz CHGWRBXPEOLQCK-UHFFFAOYSA-N 1 1 303.352 4.162 20 30 DIEDMO COc1cc(C[N@@H+](Cc2cccc(C)c2C)C2CC2)ccc1C#N ZINC001238414926 1055652789 /nfs/dbraw/zinc/65/27/89/1055652789.db2.gz CFAJGKAVCPMYEM-UHFFFAOYSA-N 1 1 320.436 4.348 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC001238414883 1055653906 /nfs/dbraw/zinc/65/39/06/1055653906.db2.gz 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DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2cnc(C#N)c(F)c2)nc1 ZINC001238992244 1055816327 /nfs/dbraw/zinc/81/63/27/1055816327.db2.gz GUONXEGYXCYWTJ-LJQANCHMSA-N 1 1 324.403 4.091 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(/C=C/c2ccc(C#N)cc2)nc1 ZINC001239283643 1055858559 /nfs/dbraw/zinc/85/85/59/1055858559.db2.gz DRFZQZQLXWFWRB-KAMXEHQASA-N 1 1 317.436 4.498 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1ccco1 ZINC000671741552 1055927482 /nfs/dbraw/zinc/92/74/82/1055927482.db2.gz YNDOASLFKQPUGB-MRXNPFEDSA-N 1 1 300.402 4.259 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)CCN1CCCc2ccccc21 ZINC001615743605 1055933656 /nfs/dbraw/zinc/93/36/56/1055933656.db2.gz ARAZBOWUIHPMGH-UHFFFAOYSA-N 1 1 313.489 4.091 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)c1c[nH]c2ccccc12 ZINC000109356869 1055954488 /nfs/dbraw/zinc/95/44/88/1055954488.db2.gz BRRWBAUOGUSGGK-UHFFFAOYSA-N 1 1 318.420 4.081 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)c1c[nH]c2ccccc12 ZINC000109356869 1055954501 /nfs/dbraw/zinc/95/45/01/1055954501.db2.gz BRRWBAUOGUSGGK-UHFFFAOYSA-N 1 1 318.420 4.081 20 30 DIEDMO C=C(C)C[N@@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1 ZINC001621304329 1055969811 /nfs/dbraw/zinc/96/98/11/1055969811.db2.gz AIJXDNRWFVNDAJ-UHFFFAOYSA-N 1 1 323.362 4.017 20 30 DIEDMO C=C(C)C[N@H+](Cc1c(C(F)(F)F)cnn1C)Cc1ccccc1 ZINC001621304329 1055969824 /nfs/dbraw/zinc/96/98/24/1055969824.db2.gz AIJXDNRWFVNDAJ-UHFFFAOYSA-N 1 1 323.362 4.017 20 30 DIEDMO C=CCCC[N@H+](CC)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001620646814 1055976731 /nfs/dbraw/zinc/97/67/31/1055976731.db2.gz REYSTOZIKHNNBL-UHFFFAOYSA-N 1 1 323.864 4.332 20 30 DIEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC001620809886 1056003199 /nfs/dbraw/zinc/00/31/99/1056003199.db2.gz UQCBBGAGTWBZFR-UHFFFAOYSA-N 1 1 318.244 4.370 20 30 DIEDMO C[C@H](CC#N)[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC001621051326 1056010208 /nfs/dbraw/zinc/01/02/08/1056010208.db2.gz ZSZJIUCBGYJLPV-MRXNPFEDSA-N 1 1 303.409 4.081 20 30 DIEDMO C=CCC1(C(=O)NCCC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001540408962 1056027550 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Cc1ccc(C#N)c(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)n1 ZINC000553478610 1056181372 /nfs/dbraw/zinc/18/13/72/1056181372.db2.gz PXIGNAHXLDTRTB-UHFFFAOYSA-N 1 1 319.412 4.190 20 30 DIEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001621132798 1056188376 /nfs/dbraw/zinc/18/83/76/1056188376.db2.gz FHTWSIZGOCTCNV-CVEARBPZSA-N 1 1 306.475 4.035 20 30 DIEDMO CC[N@H+](Cc1cc(-c2ccco2)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340537 1056211579 /nfs/dbraw/zinc/21/15/79/1056211579.db2.gz REIMBSGTRDMZFZ-AWEZNQCLSA-N 1 1 321.380 4.389 20 30 DIEDMO CC[N@@H+](Cc1cc(-c2ccco2)on1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340537 1056211594 /nfs/dbraw/zinc/21/15/94/1056211594.db2.gz REIMBSGTRDMZFZ-AWEZNQCLSA-N 1 1 321.380 4.389 20 30 DIEDMO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001543391334 1056212097 /nfs/dbraw/zinc/21/20/97/1056212097.db2.gz VHLFTHDXXCLKPU-SJLPKXTDSA-N 1 1 308.510 4.116 20 30 DIEDMO CCCCCCCCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001584272270 1056305197 /nfs/dbraw/zinc/30/51/97/1056305197.db2.gz JTPPIODNZWIMQM-SFHVURJKSA-N 1 1 302.462 4.040 20 30 DIEDMO CCCCCCCCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001584272270 1056305206 /nfs/dbraw/zinc/30/52/06/1056305206.db2.gz JTPPIODNZWIMQM-SFHVURJKSA-N 1 1 302.462 4.040 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001584351621 1056324383 /nfs/dbraw/zinc/32/43/83/1056324383.db2.gz XJKAVWZFDVYKKV-IAGOWNOFSA-N 1 1 310.526 4.362 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cccc(F)c1C#N ZINC000301576323 1056333923 /nfs/dbraw/zinc/33/39/23/1056333923.db2.gz MJILTZIYSPQWGG-DNVCBOLYSA-N 1 1 323.415 4.020 20 30 DIEDMO CC[N@@H+](Cc1nc2ccccc2o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477498 1056465213 /nfs/dbraw/zinc/46/52/13/1056465213.db2.gz HPBHTEYNSSUTLE-AWEZNQCLSA-N 1 1 305.381 4.283 20 30 DIEDMO N#CCc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001240386927 1056468447 /nfs/dbraw/zinc/46/84/47/1056468447.db2.gz JAATXOYLAOXMDJ-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001615195752 1056473841 /nfs/dbraw/zinc/47/38/41/1056473841.db2.gz VKETVNVBVBISQT-FQEVSTJZSA-N 1 1 312.457 4.372 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168664926 1056477016 /nfs/dbraw/zinc/47/70/16/1056477016.db2.gz KXEHNQYNNUISHZ-PKOBYXMFSA-N 1 1 303.446 4.203 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCc2ccccc2C1 ZINC001615252277 1056485066 /nfs/dbraw/zinc/48/50/66/1056485066.db2.gz XYCAVFWMXNALCN-QFIPXVFZSA-N 1 1 318.464 4.370 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)C1CC(OCc2ccccc2)C1 ZINC001615366413 1056498135 /nfs/dbraw/zinc/49/81/35/1056498135.db2.gz HRJOMRSTTQKDGD-UHFFFAOYSA-N 1 1 323.411 4.009 20 30 DIEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2OC)n1)C1CCCCC1 ZINC001615366638 1056499071 /nfs/dbraw/zinc/49/90/71/1056499071.db2.gz JNEQUMUFBYSESN-UHFFFAOYSA-N 1 1 324.424 4.118 20 30 DIEDMO C#CC[N@H+](Cc1coc(-c2ccccc2OC)n1)C1CCCCC1 ZINC001615366638 1056499078 /nfs/dbraw/zinc/49/90/78/1056499078.db2.gz 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DIEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001616167707 1056616226 /nfs/dbraw/zinc/61/62/26/1056616226.db2.gz UXEQGSBVLHELQO-MOPGFXCFSA-N 1 1 314.473 4.016 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159979 1056616461 /nfs/dbraw/zinc/61/64/61/1056616461.db2.gz WLXLEBHKLJFOAK-ROUUACIJSA-N 1 1 318.436 4.113 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncc(C(C)(C)O)c2)cc1 ZINC001240669285 1056633314 /nfs/dbraw/zinc/63/33/14/1056633314.db2.gz PKPSOPDBNNHSSY-FQEVSTJZSA-N 1 1 322.452 4.299 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)c1 ZINC001616323049 1056634956 /nfs/dbraw/zinc/63/49/56/1056634956.db2.gz SQECUVTWUJPKIR-KUFMOJEASA-N 1 1 317.436 4.411 20 30 DIEDMO N#Cc1ccnc(C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)c1 ZINC001616323331 1056634977 /nfs/dbraw/zinc/63/49/77/1056634977.db2.gz UIOLUIHFVCABJN-ZJVMWOEPSA-N 1 1 317.436 4.411 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001616331186 1056635801 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C#CC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)CC1CC1 ZINC001616403590 1056651608 /nfs/dbraw/zinc/65/16/08/1056651608.db2.gz STWJZEWIROCVTD-UHFFFAOYSA-N 1 1 301.739 4.204 20 30 DIEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC001616601600 1056684324 /nfs/dbraw/zinc/68/43/24/1056684324.db2.gz WEKKKARQDIPSGG-NRFANRHFSA-N 1 1 320.436 4.082 20 30 DIEDMO C=CCCCC[N@@H+]1CCc2cc(Br)cc(F)c2C1 ZINC001616676837 1056698641 /nfs/dbraw/zinc/69/86/41/1056698641.db2.gz GAGQSXKVYYVIFX-UHFFFAOYSA-N 1 1 312.226 4.303 20 30 DIEDMO C=CCCCC[N@H+]1CCc2cc(Br)cc(F)c2C1 ZINC001616676837 1056698647 /nfs/dbraw/zinc/69/86/47/1056698647.db2.gz GAGQSXKVYYVIFX-UHFFFAOYSA-N 1 1 312.226 4.303 20 30 DIEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001616700476 1056704965 /nfs/dbraw/zinc/70/49/65/1056704965.db2.gz UUHOQBWNYXRCEF-HZPDHXFCSA-N 1 1 310.482 4.063 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1C1CCC1)c1ccc(F)c(F)c1 ZINC000922013226 1056732500 /nfs/dbraw/zinc/73/25/00/1056732500.db2.gz 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314.816 4.413 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCCCC2)o1 ZINC000154152770 1057025444 /nfs/dbraw/zinc/02/54/44/1057025444.db2.gz NRIQSPGUIQHWSL-UHFFFAOYSA-N 1 1 316.351 4.379 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093612631 1057039263 /nfs/dbraw/zinc/03/92/63/1057039263.db2.gz NVDKCGBDFUJPDT-NSHDSACASA-N 1 1 305.472 4.140 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093612631 1057039269 /nfs/dbraw/zinc/03/92/69/1057039269.db2.gz NVDKCGBDFUJPDT-NSHDSACASA-N 1 1 305.472 4.140 20 30 DIEDMO N#Cc1csc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000093757192 1057041242 /nfs/dbraw/zinc/04/12/42/1057041242.db2.gz ZYBRTGAJOFFEKF-CQSZACIVSA-N 1 1 314.479 4.234 20 30 DIEDMO N#CCCc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC001241503992 1057073544 /nfs/dbraw/zinc/07/35/44/1057073544.db2.gz LBELFIHPAQEIDW-UHFFFAOYSA-N 1 1 302.421 4.432 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C1(C)CCCC1 ZINC000489873171 1057104361 /nfs/dbraw/zinc/10/43/61/1057104361.db2.gz NIXCKOPMTHZKCN-UHFFFAOYSA-N 1 1 307.235 4.085 20 30 DIEDMO CC[N@@H+](Cc1cccc2nsnc21)[C@H](C)c1ccc(C#N)cc1 ZINC000766018642 1057109336 /nfs/dbraw/zinc/10/93/36/1057109336.db2.gz NIOWVGGAJXOEDZ-CYBMUJFWSA-N 1 1 322.437 4.146 20 30 DIEDMO C=CC[N@H+](Cc1cccc2nsnc21)Cc1ccccc1F ZINC000766019227 1057113848 /nfs/dbraw/zinc/11/38/48/1057113848.db2.gz SNZBTUBICNRHEI-UHFFFAOYSA-N 1 1 313.401 4.019 20 30 DIEDMO C=CC[N@@H+](Cc1cccc2nsnc21)Cc1ccccc1F ZINC000766019227 1057113856 /nfs/dbraw/zinc/11/38/56/1057113856.db2.gz SNZBTUBICNRHEI-UHFFFAOYSA-N 1 1 313.401 4.019 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(SC)nc2)cc1 ZINC001241631292 1057115331 /nfs/dbraw/zinc/11/53/31/1057115331.db2.gz GTYLOKNLKQCPSE-QGZVFWFLSA-N 1 1 311.454 4.188 20 30 DIEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000674248804 1057222434 /nfs/dbraw/zinc/22/24/34/1057222434.db2.gz BBDBDGKOMAJRBS-UHFFFAOYSA-N 1 1 309.356 4.250 20 30 DIEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccsc1 ZINC000674248804 1057222441 /nfs/dbraw/zinc/22/24/41/1057222441.db2.gz BBDBDGKOMAJRBS-UHFFFAOYSA-N 1 1 309.356 4.250 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172397971 1057257357 /nfs/dbraw/zinc/25/73/57/1057257357.db2.gz DBKJDECQXMIAEG-CQSZACIVSA-N 1 1 301.393 4.159 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172397971 1057257363 /nfs/dbraw/zinc/25/73/63/1057257363.db2.gz DBKJDECQXMIAEG-CQSZACIVSA-N 1 1 301.393 4.159 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172397967 1057258107 /nfs/dbraw/zinc/25/81/07/1057258107.db2.gz DBKJDECQXMIAEG-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000172397967 1057258112 /nfs/dbraw/zinc/25/81/12/1057258112.db2.gz DBKJDECQXMIAEG-AWEZNQCLSA-N 1 1 301.393 4.159 20 30 DIEDMO Cc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001242540855 1057397986 /nfs/dbraw/zinc/39/79/86/1057397986.db2.gz GOFKUYLJXNDCTA-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO CCCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001129184368 1057451670 /nfs/dbraw/zinc/45/16/70/1057451670.db2.gz AJKZAOHMDBMTFT-QRVBRYPASA-N 1 1 322.537 4.316 20 30 DIEDMO C[C@@H]1CC(=O)C=C(c2ccc(F)c(C[NH+]3CCCCC3)c2)C1 ZINC001242743481 1057465580 /nfs/dbraw/zinc/46/55/80/1057465580.db2.gz UMNDDSFJOPXRDH-AWEZNQCLSA-N 1 1 301.405 4.194 20 30 DIEDMO CC#Cc1cncc(-c2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)c1 ZINC001242941317 1057524091 /nfs/dbraw/zinc/52/40/91/1057524091.db2.gz XOKPLYSXRARHCH-FQEVSTJZSA-N 1 1 305.425 4.062 20 30 DIEDMO CC#Cc1cncc(-c2ccc([C@H]3CCCC[N@@H+]3CCC)cn2)c1 ZINC001242940483 1057524472 /nfs/dbraw/zinc/52/44/72/1057524472.db2.gz JIWUQGBCVGEUJR-OAQYLSRUSA-N 1 1 319.452 4.452 20 30 DIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)s2)CC(C)C)c1 ZINC000611257865 1057586800 /nfs/dbraw/zinc/58/68/00/1057586800.db2.gz JIKBVEHLROBAQG-UHFFFAOYSA-N 1 1 314.454 4.287 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCOc2ccccc21 ZINC000611268800 1057586854 /nfs/dbraw/zinc/58/68/54/1057586854.db2.gz DKRITHVZIXCTKB-KRWDZBQOSA-N 1 1 300.446 4.205 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)s1 ZINC000611259290 1057587018 /nfs/dbraw/zinc/58/70/18/1057587018.db2.gz XFUUVKHHYHOWGS-OAHLLOKOSA-N 1 1 321.449 4.481 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCOc2ccccc21 ZINC000611265045 1057587580 /nfs/dbraw/zinc/58/75/80/1057587580.db2.gz QNAVTJBXUXXCBT-LJQANCHMSA-N 1 1 318.420 4.113 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000611259260 1057587632 /nfs/dbraw/zinc/58/76/32/1057587632.db2.gz AOPVSSYUKIBELJ-INIZCTEOSA-N 1 1 321.449 4.481 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C)cc1C)CC(C)(C)CCC#N ZINC000611257372 1057587914 /nfs/dbraw/zinc/58/79/14/1057587914.db2.gz AYNCCOHYYXKDQZ-UHFFFAOYSA-N 1 1 302.462 4.082 20 30 DIEDMO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc(C#N)c1 ZINC000611388559 1057594524 /nfs/dbraw/zinc/59/45/24/1057594524.db2.gz JJTMEJOBGSZCCE-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc(C#N)c1 ZINC000611388058 1057594818 /nfs/dbraw/zinc/59/48/18/1057594818.db2.gz CBZBVODKJSHSFN-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc(C#N)c1 ZINC000611386190 1057594847 /nfs/dbraw/zinc/59/48/47/1057594847.db2.gz FVCGPJIIFKEXIM-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO CC(C)[NH+](CCCN[C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000611393264 1057595523 /nfs/dbraw/zinc/59/55/23/1057595523.db2.gz AILSRVKEGKKZLR-FQEVSTJZSA-N 1 1 313.489 4.034 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CCCC1 ZINC000611500478 1057603798 /nfs/dbraw/zinc/60/37/98/1057603798.db2.gz BOMWCBHEOJETQE-UHFFFAOYSA-N 1 1 307.235 4.085 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)cc2CO)cc1 ZINC001243253113 1057621606 /nfs/dbraw/zinc/62/16/06/1057621606.db2.gz SYOYBBYYIWIVND-NRFANRHFSA-N 1 1 323.436 4.177 20 30 DIEDMO C=CC[N@H+](Cc1scnc1C1CC1)Cc1ccc(OC)cc1 ZINC000495178596 1057621950 /nfs/dbraw/zinc/62/19/50/1057621950.db2.gz SCQBTDLEXMDRLG-UHFFFAOYSA-N 1 1 314.454 4.217 20 30 DIEDMO C=CC[N@@H+](Cc1scnc1C1CC1)Cc1ccc(OC)cc1 ZINC000495178596 1057621955 /nfs/dbraw/zinc/62/19/55/1057621955.db2.gz SCQBTDLEXMDRLG-UHFFFAOYSA-N 1 1 314.454 4.217 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243590404 1057726057 /nfs/dbraw/zinc/72/60/57/1057726057.db2.gz WBXSDLMJXJKCRE-FQEVSTJZSA-N 1 1 321.424 4.198 20 30 DIEDMO N#CCOc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000731210410 1057737549 /nfs/dbraw/zinc/73/75/49/1057737549.db2.gz LQPLEILTNIMPRO-UHFFFAOYSA-N 1 1 322.383 4.017 20 30 DIEDMO CCC[N@H+](Cc1ccc(OCC#N)cc1)CC1CCCCC1 ZINC000731211831 1057738059 /nfs/dbraw/zinc/73/80/59/1057738059.db2.gz DCTFHPKZTPHOMF-UHFFFAOYSA-N 1 1 300.446 4.381 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3C)cn2)c(C#N)c1 ZINC001243730187 1057764873 /nfs/dbraw/zinc/76/48/73/1057764873.db2.gz VDVMKQVOBFIURZ-HNNXBMFYSA-N 1 1 321.424 4.003 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)Cc2ccccc2C)c1O ZINC000732429550 1057774870 /nfs/dbraw/zinc/77/48/70/1057774870.db2.gz JHHDXPNOABSHFE-UHFFFAOYSA-N 1 1 311.425 4.070 20 30 DIEDMO N#C[C@H]1CC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)CC1 ZINC001243791745 1057780500 /nfs/dbraw/zinc/78/05/00/1057780500.db2.gz DBHAYKTYTZDOSP-ZDUSSCGKSA-N 1 1 302.368 4.268 20 30 DIEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000732983986 1057796060 /nfs/dbraw/zinc/79/60/60/1057796060.db2.gz OASLQIMHRKWWRQ-HXUWFJFHSA-N 1 1 308.425 4.418 20 30 DIEDMO C[N@H+]1CC[C@@H](c2ccc(-c3cccc(C4(C#N)CC4)c3)cc2)C1 ZINC001244076330 1057859780 /nfs/dbraw/zinc/85/97/80/1057859780.db2.gz OYQRTBKISXJBLQ-LJQANCHMSA-N 1 1 302.421 4.328 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244552353 1057993546 /nfs/dbraw/zinc/99/35/46/1057993546.db2.gz DLODPEMAOALOND-IBGZPJMESA-N 1 1 309.388 4.306 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3cccc(C#N)c3F)c(C)c2)CC1 ZINC001245066080 1058105861 /nfs/dbraw/zinc/10/58/61/1058105861.db2.gz UYZDIVNMKUEZMD-UHFFFAOYSA-N 1 1 321.399 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(NC(C)=O)nc2)cc1 ZINC001245516020 1058193964 /nfs/dbraw/zinc/19/39/64/1058193964.db2.gz IEKHDLRNKBEPSS-IBGZPJMESA-N 1 1 321.424 4.030 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(C)ccc2C#N)nc1 ZINC001245602466 1058280919 /nfs/dbraw/zinc/28/09/19/1058280919.db2.gz BFWHBGJGGMFBRI-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)cc2OC)cc1 ZINC001245614356 1058285563 /nfs/dbraw/zinc/28/55/63/1058285563.db2.gz WZCIEXVCRBXDOD-SFHVURJKSA-N 1 1 324.424 4.089 20 30 DIEDMO C=CCCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001556898365 1058667238 /nfs/dbraw/zinc/66/72/38/1058667238.db2.gz FRCCAAMWWJYAGE-SFHVURJKSA-N 1 1 306.494 4.036 20 30 DIEDMO CCCCCCC[C@H](CCC)[NH2+]C[C@H]1CNCCC1(F)F ZINC001246090009 1058670542 /nfs/dbraw/zinc/67/05/42/1058670542.db2.gz UZHRFTVSJXKJDV-CVEARBPZSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246086605 1058671158 /nfs/dbraw/zinc/67/11/58/1058671158.db2.gz DSZXKYOODSDDLC-HOTGVXAUSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246090013 1058673661 /nfs/dbraw/zinc/67/36/61/1058673661.db2.gz UZHRFTVSJXKJDV-JKSUJKDBSA-N 1 1 304.469 4.350 20 30 DIEDMO C=CCCCCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001520904756 1058711972 /nfs/dbraw/zinc/71/19/72/1058711972.db2.gz NHUVQWPHQYFUSB-QGZVFWFLSA-N 1 1 322.880 4.195 20 30 DIEDMO CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001278436614 1058746966 /nfs/dbraw/zinc/74/69/66/1058746966.db2.gz NDQJFIJFMGDQJJ-UXHICEINSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001557556596 1058766532 /nfs/dbraw/zinc/76/65/32/1058766532.db2.gz QDGKSQCQQNVZEO-QGZVFWFLSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCC[C@@H]1C[C@@H](N[C@@H](c2cccc(C#N)c2)C(C)C)CC[NH2+]1 ZINC001246302242 1058809801 /nfs/dbraw/zinc/80/98/01/1058809801.db2.gz XGUMRXVUFVODIJ-HSALFYBXSA-N 1 1 313.489 4.156 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246635567 1059044349 /nfs/dbraw/zinc/04/43/49/1059044349.db2.gz CQBDZAKPUGAXJT-HOTGVXAUSA-N 1 1 302.453 4.056 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001246635567 1059044371 /nfs/dbraw/zinc/04/43/71/1059044371.db2.gz CQBDZAKPUGAXJT-HOTGVXAUSA-N 1 1 302.453 4.056 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246638291 1059044451 /nfs/dbraw/zinc/04/44/51/1059044451.db2.gz LKBALMSYAVDMBX-IAGOWNOFSA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246638291 1059044472 /nfs/dbraw/zinc/04/44/72/1059044472.db2.gz LKBALMSYAVDMBX-IAGOWNOFSA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCCCCC[C@H](C)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246713747 1059070625 /nfs/dbraw/zinc/07/06/25/1059070625.db2.gz JNJWGASBAHYUOI-KRWDZBQOSA-N 1 1 321.509 4.110 20 30 DIEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246713747 1059070648 /nfs/dbraw/zinc/07/06/48/1059070648.db2.gz JNJWGASBAHYUOI-KRWDZBQOSA-N 1 1 321.509 4.110 20 30 DIEDMO C[NH2+]CC[C@H](C)N(Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001246890689 1059154524 /nfs/dbraw/zinc/15/45/24/1059154524.db2.gz KCRUZRICXCIMGM-ZWKOTPCHSA-N 1 1 321.468 4.119 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3Cc4ccccc4C34CCNCC4)C[C@H](C1)C2 ZINC001247006844 1059232788 /nfs/dbraw/zinc/23/27/88/1059232788.db2.gz FIDZMRMRTAEDJE-UFRUDQCGSA-N 1 1 322.496 4.216 20 30 DIEDMO C=C1C[C@@H]2CC([N@H+]3Cc4ccccc4C34CCNCC4)C[C@H](C1)C2 ZINC001247006844 1059232805 /nfs/dbraw/zinc/23/28/05/1059232805.db2.gz FIDZMRMRTAEDJE-UFRUDQCGSA-N 1 1 322.496 4.216 20 30 DIEDMO C=CC[N@H+](CCO[C@H]1CCCC[C@@H]1C)Cc1ccc(OC)cc1 ZINC001559493019 1059269391 /nfs/dbraw/zinc/26/93/91/1059269391.db2.gz MOLLOIYKKQHUSO-PXNSSMCTSA-N 1 1 317.473 4.279 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](OC)C1CCCCC1 ZINC001559493152 1059270040 /nfs/dbraw/zinc/27/00/40/1059270040.db2.gz QFFHSQUZAHCVEJ-FQEVSTJZSA-N 1 1 317.473 4.279 20 30 DIEDMO C=CC[N@H+](CCCCC1CCOCC1)Cc1ccccc1F ZINC001559495288 1059273264 /nfs/dbraw/zinc/27/32/64/1059273264.db2.gz AMSPVDOTNCWPFW-UHFFFAOYSA-N 1 1 305.437 4.411 20 30 DIEDMO Fc1ccc(C#CC[N@H+](Cc2ccccc2)CC2CCC2)cc1 ZINC001559496951 1059277099 /nfs/dbraw/zinc/27/70/99/1059277099.db2.gz BLXUSCCOJNRVCB-UHFFFAOYSA-N 1 1 307.412 4.480 20 30 DIEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC001559498121 1059279841 /nfs/dbraw/zinc/27/98/41/1059279841.db2.gz WVGRCFFXFVSCHW-NRFANRHFSA-N 1 1 304.437 4.328 20 30 DIEDMO C#CC[N@@H+](Cc1csc(CCC(C)C)n1)C1CCCCC1 ZINC001559513082 1059306841 /nfs/dbraw/zinc/30/68/41/1059306841.db2.gz GIHSAMNTQUZETE-UHFFFAOYSA-N 1 1 304.503 4.500 20 30 DIEDMO C#CC[N@H+](Cc1csc(CCC(C)C)n1)C1CCCCC1 ZINC001559513082 1059306864 /nfs/dbraw/zinc/30/68/64/1059306864.db2.gz GIHSAMNTQUZETE-UHFFFAOYSA-N 1 1 304.503 4.500 20 30 DIEDMO C=CC[N@@H+](CCOC1CCCCCC1)CCc1ccccc1 ZINC001559513023 1059307903 /nfs/dbraw/zinc/30/79/03/1059307903.db2.gz DRQQHOTXKMVDDL-UHFFFAOYSA-N 1 1 301.474 4.457 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C(F)(F)F ZINC001559514024 1059311325 /nfs/dbraw/zinc/31/13/25/1059311325.db2.gz OPKBDTQSIBBCBK-UHFFFAOYSA-N 1 1 321.317 4.480 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C(F)(F)F ZINC001559514024 1059311347 /nfs/dbraw/zinc/31/13/47/1059311347.db2.gz OPKBDTQSIBBCBK-UHFFFAOYSA-N 1 1 321.317 4.480 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555138 1059371733 /nfs/dbraw/zinc/37/17/33/1059371733.db2.gz SEGAOAUMEHTMHC-FXAWDEMLSA-N 1 1 304.437 4.439 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccccc1Br ZINC001559554023 1059372269 /nfs/dbraw/zinc/37/22/69/1059372269.db2.gz QUXJAAWFJQPVQO-UHFFFAOYSA-N 1 1 323.278 4.253 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC[C@H]2CCCO2)C(C)(C)C)cc1 ZINC001559638367 1059463036 /nfs/dbraw/zinc/46/30/36/1059463036.db2.gz YPQMXFFHFAKBLV-GOSISDBHSA-N 1 1 317.473 4.421 20 30 DIEDMO CCCCC[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559650339 1059479711 /nfs/dbraw/zinc/47/97/11/1059479711.db2.gz BKOZPQBFVRYPNA-SFHVURJKSA-N 1 1 300.446 4.372 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)o1 ZINC001559662094 1059493237 /nfs/dbraw/zinc/49/32/37/1059493237.db2.gz PFIDZLQXSWBICB-GOSISDBHSA-N 1 1 308.425 4.386 20 30 DIEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC001559673991 1059498352 /nfs/dbraw/zinc/49/83/52/1059498352.db2.gz ANQPICNWEUEKGU-RTWAWAEBSA-N 1 1 305.421 4.249 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC001559676633 1059501081 /nfs/dbraw/zinc/50/10/81/1059501081.db2.gz NCPQTNYAPRIFPY-UHFFFAOYSA-N 1 1 300.627 4.253 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(Cl)c1 ZINC001559689574 1059520193 /nfs/dbraw/zinc/52/01/93/1059520193.db2.gz RVBRLKMKGDPMIQ-UHFFFAOYSA-N 1 1 305.805 4.172 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(F)cc1F ZINC001559704854 1059533048 /nfs/dbraw/zinc/53/30/48/1059533048.db2.gz ZMGBUDOCVUKTBU-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3cccc(F)c3)CC2)cc1 ZINC001559715135 1059544087 /nfs/dbraw/zinc/54/40/87/1059544087.db2.gz RUZVEXUTUMZHAO-UHFFFAOYSA-N 1 1 306.384 4.029 20 30 DIEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(C)ccc2-c2ccccc2)no1 ZINC001247621169 1059572285 /nfs/dbraw/zinc/57/22/85/1059572285.db2.gz INHKIWNJOMZQCF-FOIQADDNSA-N 1 1 317.392 4.072 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001247622695 1059574467 /nfs/dbraw/zinc/57/44/67/1059574467.db2.gz QRXOODVJZPKNGU-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001247622568 1059575183 /nfs/dbraw/zinc/57/51/83/1059575183.db2.gz NPYUQMUHSWXIHK-GFCCVEGCSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001247622539 1059575694 /nfs/dbraw/zinc/57/56/94/1059575694.db2.gz MYZUBYORDFDPIV-SNVBAGLBSA-N 1 1 316.163 4.149 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cncc3ccccc32)no1 ZINC001247640472 1059587093 /nfs/dbraw/zinc/58/70/93/1059587093.db2.gz SEOOIQGPZGSCOG-KRWDZBQOSA-N 1 1 322.412 4.421 20 30 DIEDMO C=C(C)[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767118 1059602846 /nfs/dbraw/zinc/60/28/46/1059602846.db2.gz STEQCBZDVBWBOS-KHYOSLBOSA-N 1 1 322.443 4.150 20 30 DIEDMO C=C(C)[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccc(F)c(F)c1 ZINC001559767118 1059602853 /nfs/dbraw/zinc/60/28/53/1059602853.db2.gz STEQCBZDVBWBOS-KHYOSLBOSA-N 1 1 322.443 4.150 20 30 DIEDMO C=CC[C@@H]1[N@H+](CCC(=O)Nc2ccccc2)CCCC1(C)C ZINC001559797218 1059631318 /nfs/dbraw/zinc/63/13/18/1059631318.db2.gz KMPAIZVFHMKLPO-KRWDZBQOSA-N 1 1 300.446 4.082 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2cccc(Br)n2)CCCC1(C)C ZINC001559797076 1059631377 /nfs/dbraw/zinc/63/13/77/1059631377.db2.gz GBDGYABIELPHAI-AWEZNQCLSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ccncc2Br)CCCC1(C)C ZINC001559797735 1059631805 /nfs/dbraw/zinc/63/18/05/1059631805.db2.gz YOTOUQBABBMYPL-HNNXBMFYSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C)c(C(=O)OC)c2)CCCC1(C)C ZINC001559797031 1059631999 /nfs/dbraw/zinc/63/19/99/1059631999.db2.gz DVPIZKJRGGLFBP-SFHVURJKSA-N 1 1 315.457 4.348 20 30 DIEDMO C=CC[C@@H]1[N@H+](CC(=O)NCCC2CCCCC2)CCCC1(C)C ZINC001559797022 1059632303 /nfs/dbraw/zinc/63/23/03/1059632303.db2.gz DMBVBMHOAKPNFI-SFHVURJKSA-N 1 1 320.521 4.140 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796953 1059632333 /nfs/dbraw/zinc/63/23/33/1059632333.db2.gz BTKMXCCVMGEQPF-SJORKVTESA-N 1 1 309.400 4.065 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2ccncc2Br)CCCC1(C)C ZINC001559797736 1059633047 /nfs/dbraw/zinc/63/30/47/1059633047.db2.gz YOTOUQBABBMYPL-OAHLLOKOSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796950 1059633480 /nfs/dbraw/zinc/63/34/80/1059633480.db2.gz BTKMXCCVMGEQPF-DLBZAZTESA-N 1 1 309.400 4.065 20 30 DIEDMO C#CCn1ccc(C[N@@H+](CC)CC2CCC(C(C)(C)C)CC2)n1 ZINC001559804527 1059639696 /nfs/dbraw/zinc/63/96/96/1059639696.db2.gz OFXFAGOURQQBPY-UHFFFAOYSA-N 1 1 315.505 4.191 20 30 DIEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)c(C)c1 ZINC001559810032 1059645917 /nfs/dbraw/zinc/64/59/17/1059645917.db2.gz WWQIIRFRNIHILD-IBGZPJMESA-N 1 1 304.437 4.473 20 30 DIEDMO N#Cc1ccc(CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC001559816536 1059652440 /nfs/dbraw/zinc/65/24/40/1059652440.db2.gz INSPHHXJKOMMHN-BDTNDASRSA-N 1 1 316.448 4.369 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC001559873404 1059693158 /nfs/dbraw/zinc/69/31/58/1059693158.db2.gz QLMVUWRPTJXXMN-OALUTQOASA-N 1 1 307.453 4.147 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC001559907375 1059726122 /nfs/dbraw/zinc/72/61/22/1059726122.db2.gz FMKRDKONKAMTLZ-SFHVURJKSA-N 1 1 308.510 4.214 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001559911568 1059730309 /nfs/dbraw/zinc/73/03/09/1059730309.db2.gz MOOSGWYLLNUEMA-PMACEKPBSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001559930640 1059744445 /nfs/dbraw/zinc/74/44/45/1059744445.db2.gz BIKUOLYKGKHIRS-ZDUSSCGKSA-N 1 1 309.800 4.276 20 30 DIEDMO CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])C3CCCC3)n2)c(C#N)c1 ZINC001248211411 1059749852 /nfs/dbraw/zinc/74/98/52/1059749852.db2.gz VFVXUAZGGTVQQF-INIZCTEOSA-N 1 1 324.428 4.096 20 30 DIEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3Cl)on2)C1 ZINC001559939419 1059753893 /nfs/dbraw/zinc/75/38/93/1059753893.db2.gz PUXXYFUAUBFTLR-AWEZNQCLSA-N 1 1 314.816 4.230 20 30 DIEDMO C=CC[N@H+](C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001560004879 1059811508 /nfs/dbraw/zinc/81/15/08/1059811508.db2.gz BKBHBNSNISZNQG-INIZCTEOSA-N 1 1 324.509 4.310 20 30 DIEDMO C=CC[C@H]1CC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC001560027186 1059841617 /nfs/dbraw/zinc/84/16/17/1059841617.db2.gz VGAPEVLRBSFKNK-AWEZNQCLSA-N 1 1 313.363 4.372 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc(CCc3ccccc3)n2)C1 ZINC001560026819 1059842256 /nfs/dbraw/zinc/84/22/56/1059842256.db2.gz HPNPOUXACNXXTP-QGZVFWFLSA-N 1 1 312.482 4.326 20 30 DIEDMO C[C@H](CCc1ccccc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001560042013 1059854451 /nfs/dbraw/zinc/85/44/51/1059854451.db2.gz CMJHNUNUJJDCNE-QGZVFWFLSA-N 1 1 304.437 4.132 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C(C)(C)C)c1)[C@H]1CCC[C@H]1C#N ZINC001560060579 1059871441 /nfs/dbraw/zinc/87/14/41/1059871441.db2.gz QMECYVOYXBIOSP-LPHOPBHVSA-N 1 1 314.473 4.377 20 30 DIEDMO Cc1cccc(Br)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248619260 1059918868 /nfs/dbraw/zinc/91/88/68/1059918868.db2.gz YINUMPSERJDLIR-ZSOGYDGISA-N 1 1 319.246 4.024 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001560133408 1059933483 /nfs/dbraw/zinc/93/34/83/1059933483.db2.gz XKKLWICUCSVZNN-FOIQADDNSA-N 1 1 306.409 4.150 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001560133410 1059933976 /nfs/dbraw/zinc/93/39/76/1059933976.db2.gz XKKLWICUCSVZNN-QRWLVFNGSA-N 1 1 306.409 4.150 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H]1CCc2c1cccc2F ZINC001560150903 1059946665 /nfs/dbraw/zinc/94/66/65/1059946665.db2.gz OUKQWZKDITUMDV-KRWDZBQOSA-N 1 1 300.764 4.128 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](CC)Cc1cccc(OC)c1 ZINC001248751857 1059963534 /nfs/dbraw/zinc/96/35/34/1059963534.db2.gz MZOXNXUMQNEVIC-UHFFFAOYSA-N 1 1 308.425 4.151 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001248750993 1059964871 /nfs/dbraw/zinc/96/48/71/1059964871.db2.gz FNTGQXYDNVPLID-OAQYLSRUSA-N 1 1 320.436 4.164 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001248751427 1059965707 /nfs/dbraw/zinc/96/57/07/1059965707.db2.gz WMXQRJOLLDUKMQ-HXUWFJFHSA-N 1 1 320.436 4.082 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCc2cc(Cl)ccc21 ZINC001560180655 1059967552 /nfs/dbraw/zinc/96/75/52/1059967552.db2.gz DLLBCCRNBPJSMM-MRXNPFEDSA-N 1 1 302.830 4.392 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001248752761 1059968597 /nfs/dbraw/zinc/96/85/97/1059968597.db2.gz ZLRFOMAHSCSTBK-KDURUIRLSA-N 1 1 302.421 4.207 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCCc2ccc(F)cc21 ZINC001560181253 1059973042 /nfs/dbraw/zinc/97/30/42/1059973042.db2.gz MNWQQQAXMCCEPK-KRWDZBQOSA-N 1 1 300.402 4.268 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1cccc2ccccc21 ZINC001560205884 1059986497 /nfs/dbraw/zinc/98/64/97/1059986497.db2.gz JQMULZREGSTFCG-XYJFISCASA-N 1 1 322.452 4.056 20 30 DIEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001560216948 1059992687 /nfs/dbraw/zinc/99/26/87/1059992687.db2.gz DGWKZNNUMAFKGN-OALUTQOASA-N 1 1 317.521 4.045 20 30 DIEDMO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC1(C#N)CCCCC1 ZINC001560216948 1059992712 /nfs/dbraw/zinc/99/27/12/1059992712.db2.gz DGWKZNNUMAFKGN-OALUTQOASA-N 1 1 317.521 4.045 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(SC(C)C)n1 ZINC001248832827 1060006548 /nfs/dbraw/zinc/00/65/48/1060006548.db2.gz FXGXTHHCXSICBD-UHFFFAOYSA-N 1 1 313.470 4.165 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(SC(C)C)n1 ZINC001248832827 1060006571 /nfs/dbraw/zinc/00/65/71/1060006571.db2.gz FXGXTHHCXSICBD-UHFFFAOYSA-N 1 1 313.470 4.165 20 30 DIEDMO Cc1nc(C[NH+]2CCC(C#Cc3ccccc3)CC2)ccc1Cl ZINC001248873184 1060030614 /nfs/dbraw/zinc/03/06/14/1060030614.db2.gz ZKCMKODFDILLHT-UHFFFAOYSA-N 1 1 324.855 4.307 20 30 DIEDMO CC(C)(C)c1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001248883737 1060035599 /nfs/dbraw/zinc/03/55/99/1060035599.db2.gz PDYBVARIGBDGFQ-ZDUSSCGKSA-N 1 1 320.864 4.469 20 30 DIEDMO N#Cc1ccc2cc(C[N@@H+]3CCSc4ccccc4C3)[nH]c2c1 ZINC001249430255 1060248235 /nfs/dbraw/zinc/24/82/35/1060248235.db2.gz JUEPGZYYAOGBMY-UHFFFAOYSA-N 1 1 319.433 4.147 20 30 DIEDMO N#Cc1ccc2cc(C[N@H+]3CCSc4ccccc4C3)[nH]c2c1 ZINC001249430255 1060248250 /nfs/dbraw/zinc/24/82/50/1060248250.db2.gz JUEPGZYYAOGBMY-UHFFFAOYSA-N 1 1 319.433 4.147 20 30 DIEDMO CCC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1 ZINC001249429168 1060249271 /nfs/dbraw/zinc/24/92/71/1060249271.db2.gz QHIFFBTYCPJTET-UHFFFAOYSA-N 1 1 303.409 4.452 20 30 DIEDMO 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Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(Cl)c1 ZINC001473691199 1061351240 /nfs/dbraw/zinc/35/12/40/1061351240.db2.gz SSTWLKMMINNUDU-UHFFFAOYSA-N 1 1 310.828 4.273 20 30 DIEDMO C[C@@H](C[N@@H+](C)Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC001473705529 1061357985 /nfs/dbraw/zinc/35/79/85/1061357985.db2.gz CJJIINQRDZUZTH-INIZCTEOSA-N 1 1 300.446 4.237 20 30 DIEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001473712741 1061363573 /nfs/dbraw/zinc/36/35/73/1061363573.db2.gz MPEFBHRHWDTZNH-QGZVFWFLSA-N 1 1 308.425 4.390 20 30 DIEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001473725234 1061372649 /nfs/dbraw/zinc/37/26/49/1061372649.db2.gz CVZLUANTXDWSTG-ZDUSSCGKSA-N 1 1 312.226 4.302 20 30 DIEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC001473725234 1061372677 /nfs/dbraw/zinc/37/26/77/1061372677.db2.gz CVZLUANTXDWSTG-ZDUSSCGKSA-N 1 1 312.226 4.302 20 30 DIEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@]2(C)C2CCCCC2)cc1 ZINC001473746323 1061388574 /nfs/dbraw/zinc/38/85/74/1061388574.db2.gz UFVRSSUZWAQOOX-OAQYLSRUSA-N 1 1 324.468 4.041 20 30 DIEDMO CC[C@@]1(CCc2ccccc2)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473757191 1061395452 /nfs/dbraw/zinc/39/54/52/1061395452.db2.gz XZIAAFBCGACTOH-NRFANRHFSA-N 1 1 319.452 4.331 20 30 DIEDMO C#CC[C@H]1CC[N@H+](Cc2oc3ccccc3c2Br)C1 ZINC001473788860 1061408488 /nfs/dbraw/zinc/40/84/88/1061408488.db2.gz WGJKTZLZPHQUIK-LBPRGKRZSA-N 1 1 318.214 4.041 20 30 DIEDMO C=CCCCCCCCCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001251609454 1061415987 /nfs/dbraw/zinc/41/59/87/1061415987.db2.gz UGHPPTXSMHOSEA-MSOLQXFVSA-N 1 1 323.525 4.027 20 30 DIEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001251609527 1061417460 /nfs/dbraw/zinc/41/74/60/1061417460.db2.gz WFAQECXPDBSOKP-QGZVFWFLSA-N 1 1 323.525 4.075 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001473818839 1061422339 /nfs/dbraw/zinc/42/23/39/1061422339.db2.gz XJOFPEOHFJAUAC-OXQOHEQNSA-N 1 1 320.436 4.335 20 30 DIEDMO CC1(C)CCCC[C@@H]1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838647 1061428397 /nfs/dbraw/zinc/42/83/97/1061428397.db2.gz JMLWVWLWKWSJCI-MOPGFXCFSA-N 1 1 312.457 4.148 20 30 DIEDMO CC1(C)CCCC[C@H]1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838651 1061428560 /nfs/dbraw/zinc/42/85/60/1061428560.db2.gz JMLWVWLWKWSJCI-RBUKOAKNSA-N 1 1 312.457 4.148 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC001473838131 1061428763 /nfs/dbraw/zinc/42/87/63/1061428763.db2.gz CYXOJRFYYTYUEO-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO CCCCCCCCC[N@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC001473852476 1061434070 /nfs/dbraw/zinc/43/40/70/1061434070.db2.gz RYMSGWDUVOUZFX-UHFFFAOYSA-N 1 1 317.399 4.468 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccc(Cl)c2)o1 ZINC001473855562 1061434638 /nfs/dbraw/zinc/43/46/38/1061434638.db2.gz WAJFTJODWKXUPC-OAHLLOKOSA-N 1 1 317.820 4.321 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001473853868 1061434864 /nfs/dbraw/zinc/43/48/64/1061434864.db2.gz CGLAHJFJOZKNOT-IBGZPJMESA-N 1 1 314.473 4.003 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001473857138 1061436130 /nfs/dbraw/zinc/43/61/30/1061436130.db2.gz FGOIXOZNOQSTGC-MRXNPFEDSA-N 1 1 304.821 4.173 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC001473857597 1061436864 /nfs/dbraw/zinc/43/68/64/1061436864.db2.gz XVWHVFJLNLDPLO-HNNXBMFYSA-N 1 1 307.821 4.179 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cnc(Br)c(C)c1 ZINC001473857606 1061436590 /nfs/dbraw/zinc/43/65/90/1061436590.db2.gz XWNGXGVNYGSHDN-CQSZACIVSA-N 1 1 309.251 4.083 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001457882999 1061516145 /nfs/dbraw/zinc/51/61/45/1061516145.db2.gz YAPRUDJSTJKKGO-IAGOWNOFSA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001457882999 1061516162 /nfs/dbraw/zinc/51/61/62/1061516162.db2.gz YAPRUDJSTJKKGO-IAGOWNOFSA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@H]1C ZINC001457882996 1061516634 /nfs/dbraw/zinc/51/66/34/1061516634.db2.gz YAPRUDJSTJKKGO-DLBZAZTESA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001457882996 1061516650 /nfs/dbraw/zinc/51/66/50/1061516650.db2.gz YAPRUDJSTJKKGO-DLBZAZTESA-N 1 1 308.510 4.068 20 30 DIEDMO C=C1CC(C)(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC001464020880 1061545066 /nfs/dbraw/zinc/54/50/66/1061545066.db2.gz XSOPNCFBTUSZQT-OAHLLOKOSA-N 1 1 312.457 4.213 20 30 DIEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1c(C)cccc1F ZINC001474022043 1061561529 /nfs/dbraw/zinc/56/15/29/1061561529.db2.gz LPKOLCSPEIALHI-UHFFFAOYSA-N 1 1 317.791 4.089 20 30 DIEDMO Cc1nc(Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)ccc1C#N ZINC001458106122 1061573987 /nfs/dbraw/zinc/57/39/87/1061573987.db2.gz FIQSGJRDYXZADZ-OAHLLOKOSA-N 1 1 320.440 4.380 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001252128546 1061584187 /nfs/dbraw/zinc/58/41/87/1061584187.db2.gz OOUVQTACULPFSA-LJQANCHMSA-N 1 1 302.462 4.102 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1nc2ccccc2o1 ZINC001252130143 1061584909 /nfs/dbraw/zinc/58/49/09/1061584909.db2.gz LVEXHXAOYCGTPT-MRXNPFEDSA-N 1 1 318.461 4.371 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2nc[nH]c2[C@@H]1C(C)C ZINC001252132175 1061591622 /nfs/dbraw/zinc/59/16/22/1061591622.db2.gz BCHJZVFNQGVASA-LPHOPBHVSA-N 1 1 321.509 4.076 20 30 DIEDMO C=C[C@](C)(O)C[N@@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC001252558970 1061664732 /nfs/dbraw/zinc/66/47/32/1061664732.db2.gz PYBSMQSQLKZOFT-NRFANRHFSA-N 1 1 309.453 4.077 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001252602888 1061671992 /nfs/dbraw/zinc/67/19/92/1061671992.db2.gz HEPLJZLAAGYOAD-KGLIPLIRSA-N 1 1 314.256 4.110 20 30 DIEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001252603113 1061673318 /nfs/dbraw/zinc/67/33/18/1061673318.db2.gz LPNJQWGYITUFQP-SFHVURJKSA-N 1 1 311.425 4.238 20 30 DIEDMO CCC[C@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001252789602 1061717643 /nfs/dbraw/zinc/71/76/43/1061717643.db2.gz MWRSOEWAQNNRDA-UTKZUKDTSA-N 1 1 322.452 4.282 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cncs1 ZINC001252983272 1061771125 /nfs/dbraw/zinc/77/11/25/1061771125.db2.gz TXQAXQRTWAUAEE-MRXNPFEDSA-N 1 1 312.523 4.467 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001252984062 1061777257 /nfs/dbraw/zinc/77/72/57/1061777257.db2.gz CQSSFSPLOKHKAU-FQEVSTJZSA-N 1 1 324.553 4.048 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC001253227487 1061834652 /nfs/dbraw/zinc/83/46/52/1061834652.db2.gz JOOOSVAXQCFJMA-MOPGFXCFSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1ccccc1OC ZINC001253238276 1061838439 /nfs/dbraw/zinc/83/84/39/1061838439.db2.gz BTKLVXDDEKQKTR-GOSISDBHSA-N 1 1 305.462 4.015 20 30 DIEDMO C=CCCCCCC[C@H](O)CNc1cccn2c(C)c(C)[nH+]c12 ZINC001253234169 1061838689 /nfs/dbraw/zinc/83/86/89/1061838689.db2.gz VTOIMMHEVDIBQU-KRWDZBQOSA-N 1 1 315.461 4.251 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001253238336 1061839315 /nfs/dbraw/zinc/83/93/15/1061839315.db2.gz CZRHGFAWRCYZNV-GJZGRUSLSA-N 1 1 307.400 4.148 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+](CCC)CCc1ccccn1 ZINC001253240995 1061842182 /nfs/dbraw/zinc/84/21/82/1061842182.db2.gz QKDVWNRFVSHTTO-FQEVSTJZSA-N 1 1 318.505 4.224 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)ccc1C#N ZINC001474327105 1061912481 /nfs/dbraw/zinc/91/24/81/1061912481.db2.gz PFIZZHIZTZCTHZ-KSSFIOAISA-N 1 1 324.424 4.442 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)ccc1C#N ZINC001474327103 1061914887 /nfs/dbraw/zinc/91/48/87/1061914887.db2.gz PFIZZHIZTZCTHZ-KDOFPFPSSA-N 1 1 324.424 4.442 20 30 DIEDMO CCCCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncco1 ZINC001253563626 1061930585 /nfs/dbraw/zinc/93/05/85/1061930585.db2.gz LKUIPBXTCIXPRB-QGZVFWFLSA-N 1 1 310.482 4.436 20 30 DIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474350430 1061964962 /nfs/dbraw/zinc/96/49/62/1061964962.db2.gz LMRJDVCAWRWZOG-FQEVSTJZSA-N 1 1 321.468 4.077 20 30 DIEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001474356995 1061976019 /nfs/dbraw/zinc/97/60/19/1061976019.db2.gz CMIUCWHBWGSHFB-MISYRCLQSA-N 1 1 312.457 4.148 20 30 DIEDMO CC(C)[C@H](O)C[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1ccccc1 ZINC001253766150 1061977070 /nfs/dbraw/zinc/97/70/70/1061977070.db2.gz BVJXRJDFUAKFQR-DYESRHJHSA-N 1 1 322.452 4.138 20 30 DIEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001253963866 1062004870 /nfs/dbraw/zinc/00/48/70/1062004870.db2.gz ZYVNKQMDYJEHIN-UHFFFAOYSA-N 1 1 316.836 4.102 20 30 DIEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001253963866 1062004894 /nfs/dbraw/zinc/00/48/94/1062004894.db2.gz ZYVNKQMDYJEHIN-UHFFFAOYSA-N 1 1 316.836 4.102 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001253975752 1062007673 /nfs/dbraw/zinc/00/76/73/1062007673.db2.gz DTDKBCHVARUKCM-HNNXBMFYSA-N 1 1 310.445 4.072 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1OC ZINC001474369763 1062010160 /nfs/dbraw/zinc/01/01/60/1062010160.db2.gz LSMBPNAMWPFREU-ZIAGYGMSSA-N 1 1 323.864 4.391 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001474383717 1062029884 /nfs/dbraw/zinc/02/98/84/1062029884.db2.gz FEGJGHNIZGPXEB-KRWDZBQOSA-N 1 1 307.437 4.241 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)nc1)CC1CCCCC1 ZINC001474387125 1062036939 /nfs/dbraw/zinc/03/69/39/1062036939.db2.gz WDIXVBQCJWRGQB-UHFFFAOYSA-N 1 1 323.278 4.412 20 30 DIEDMO CC(C)[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](C)CCC#N ZINC001474393196 1062044044 /nfs/dbraw/zinc/04/40/44/1062044044.db2.gz LCCAOIHIQITOAZ-SFHVURJKSA-N 1 1 324.472 4.082 20 30 DIEDMO CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCCC[N@H+]1C(C)C ZINC001459308429 1062074554 /nfs/dbraw/zinc/07/45/54/1062074554.db2.gz HYDRHUZKXHHGIK-HXUWFJFHSA-N 1 1 313.489 4.033 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCN1C(C)C ZINC001459308429 1062074577 /nfs/dbraw/zinc/07/45/77/1062074577.db2.gz HYDRHUZKXHHGIK-HXUWFJFHSA-N 1 1 313.489 4.033 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCN1C(C)C ZINC001459308429 1062074601 /nfs/dbraw/zinc/07/46/01/1062074601.db2.gz HYDRHUZKXHHGIK-HXUWFJFHSA-N 1 1 313.489 4.033 20 30 DIEDMO C[N@@H+](Cc1ccncc1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352778 1062083233 /nfs/dbraw/zinc/08/32/33/1062083233.db2.gz DLXKQNQPICCGFZ-UHFFFAOYSA-N 1 1 323.415 4.057 20 30 DIEDMO Cc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)ccc1C#N ZINC001474414513 1062083933 /nfs/dbraw/zinc/08/39/33/1062083933.db2.gz HWEWVEMEKNBDPM-UHFFFAOYSA-N 1 1 312.363 4.310 20 30 DIEDMO Cc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)ccc1C#N ZINC001474414513 1062083948 /nfs/dbraw/zinc/08/39/48/1062083948.db2.gz HWEWVEMEKNBDPM-UHFFFAOYSA-N 1 1 312.363 4.310 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC001254385302 1062089972 /nfs/dbraw/zinc/08/99/72/1062089972.db2.gz COJWVXDWFWKUEW-DYESRHJHSA-N 1 1 320.436 4.300 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 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DIEDMO Cc1cccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC001473114650 1063415363 /nfs/dbraw/zinc/41/53/63/1063415363.db2.gz CCXXFBPNXBFJHR-UHFFFAOYSA-N 1 1 317.354 4.497 20 30 DIEDMO CC[N@@H+](CCc1ccc(F)c(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC001473116808 1063419599 /nfs/dbraw/zinc/41/95/99/1063419599.db2.gz CTZSNPHFKSMBTD-CQSZACIVSA-N 1 1 314.379 4.462 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+](C)CCCC(=O)c3cccnc3)C[C@H](C1)C2 ZINC001257895301 1063430765 /nfs/dbraw/zinc/43/07/65/1063430765.db2.gz PKUFSMDBHPKIDJ-JJTKIYQPSA-N 1 1 312.457 4.111 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](N4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894443 1063431242 /nfs/dbraw/zinc/43/12/42/1063431242.db2.gz VFEPSAKIXZNZQL-VYFYYAICSA-N 1 1 320.496 4.020 20 30 DIEDMO C=C1C[C@@H]2CC(N3CC[C@H]([NH+]4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894443 1063431249 /nfs/dbraw/zinc/43/12/49/1063431249.db2.gz VFEPSAKIXZNZQL-VYFYYAICSA-N 1 1 320.496 4.020 20 30 DIEDMO C=C1C[C@@H]2CC([NH+]3CCC(N4CCC(F)CC4)CC3)C[C@H](C1)C2 ZINC001257895177 1063432032 /nfs/dbraw/zinc/43/20/32/1063432032.db2.gz KIPGSJBXQAODFE-XEWABKELSA-N 1 1 320.496 4.020 20 30 DIEDMO CCC#C[C@H](C)[N@H+](CCC)Cc1ccccc1Br ZINC001473130587 1063436209 /nfs/dbraw/zinc/43/62/09/1063436209.db2.gz WLYIXNCOTBSNHC-AWEZNQCLSA-N 1 1 308.263 4.463 20 30 DIEDMO CCC#C[C@H](C)[N@@H+](CCC)Cc1ccccc1Br ZINC001473130587 1063436215 /nfs/dbraw/zinc/43/62/15/1063436215.db2.gz WLYIXNCOTBSNHC-AWEZNQCLSA-N 1 1 308.263 4.463 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001473136819 1063443684 /nfs/dbraw/zinc/44/36/84/1063443684.db2.gz KHPJKDISTAUWJO-OAQYLSRUSA-N 1 1 309.453 4.068 20 30 DIEDMO CCC#C[C@@H](C)[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC001473139266 1063447118 /nfs/dbraw/zinc/44/71/18/1063447118.db2.gz RKORPVLLCRZRCP-OAHLLOKOSA-N 1 1 314.404 4.147 20 30 DIEDMO C#CCOCC[N@@H+](Cc1cccc2ccccc21)C1CCCC1 ZINC001473147210 1063453362 /nfs/dbraw/zinc/45/33/62/1063453362.db2.gz DQMYGMPBEFOFNZ-UHFFFAOYSA-N 1 1 307.437 4.234 20 30 DIEDMO CCCCCCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001258041170 1063472126 /nfs/dbraw/zinc/47/21/26/1063472126.db2.gz OCTPSIDMSLSJBS-HOTGVXAUSA-N 1 1 317.539 4.398 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001258045340 1063479284 /nfs/dbraw/zinc/47/92/84/1063479284.db2.gz ZJSKDYHORJBHGY-SJLPKXTDSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001258048248 1063480962 /nfs/dbraw/zinc/48/09/62/1063480962.db2.gz RWCKRVKEYSZVRO-IEBWSBKVSA-N 1 1 308.510 4.212 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178727 1063487085 /nfs/dbraw/zinc/48/70/85/1063487085.db2.gz CKGYJMHJUIGLNI-HOTGVXAUSA-N 1 1 319.876 4.405 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)C[C@H](C)CC(C)C)C2 ZINC001258069425 1063497164 /nfs/dbraw/zinc/49/71/64/1063497164.db2.gz HYTVHYDCQNJVLP-FUMNGEBKSA-N 1 1 323.521 4.273 20 30 DIEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001473188493 1063497657 /nfs/dbraw/zinc/49/76/57/1063497657.db2.gz AKRRBDLZOFJWHA-RBUKOAKNSA-N 1 1 307.453 4.042 20 30 DIEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](C)CCC=C(C)C)C2 ZINC001258089524 1063512666 /nfs/dbraw/zinc/51/26/66/1063512666.db2.gz UDRQESCGSODPNC-UYAOXDASSA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258089511 1063512704 /nfs/dbraw/zinc/51/27/04/1063512704.db2.gz UDRQESCGSODPNC-ICSRJNTNSA-N 1 1 318.505 4.154 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCC=C(C)C)CCO2 ZINC001258095015 1063519595 /nfs/dbraw/zinc/51/95/95/1063519595.db2.gz WWBKKBMXVXXFAN-XUVXKRRUSA-N 1 1 321.505 4.195 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCCC(=O)OCC ZINC001258127479 1063527315 /nfs/dbraw/zinc/52/73/15/1063527315.db2.gz RXSYSPVZWLSOQF-KRWDZBQOSA-N 1 1 303.446 4.187 20 30 DIEDMO C[C@@H]1CC([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@@H](C)C1 ZINC001258152378 1063533670 /nfs/dbraw/zinc/53/36/70/1063533670.db2.gz RFMSSLPETZGKQV-YUMQZZPRSA-N 1 1 309.269 4.234 20 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/nfs/dbraw/zinc/65/37/43/1063653743.db2.gz JSLHSHDGAQGSKG-QGZVFWFLSA-N 1 1 319.493 4.150 20 30 DIEDMO CCCCCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC001515393416 1063674084 /nfs/dbraw/zinc/67/40/84/1063674084.db2.gz QMKAOZODVRYUMA-UHFFFAOYSA-N 1 1 323.506 4.209 20 30 DIEDMO CCCCCCCC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC001515393416 1063674096 /nfs/dbraw/zinc/67/40/96/1063674096.db2.gz QMKAOZODVRYUMA-UHFFFAOYSA-N 1 1 323.506 4.209 20 30 DIEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(CCC)CC1)C2 ZINC001258533307 1063687547 /nfs/dbraw/zinc/68/75/47/1063687547.db2.gz VQZJJVDPWFQQOB-NTFDOXNWSA-N 1 1 321.505 4.171 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(CCC)CC1)C2 ZINC001258533305 1063687967 /nfs/dbraw/zinc/68/79/67/1063687967.db2.gz VQZJJVDPWFQQOB-GHBBCFCZSA-N 1 1 321.505 4.171 20 30 DIEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(CCC)CC1)C2 ZINC001258533308 1063688063 /nfs/dbraw/zinc/68/80/63/1063688063.db2.gz VQZJJVDPWFQQOB-TUNPWDSISA-N 1 1 321.505 4.171 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(CCC)CC1)C2 ZINC001258533306 1063688079 /nfs/dbraw/zinc/68/80/79/1063688079.db2.gz VQZJJVDPWFQQOB-GUMHCPJTSA-N 1 1 321.505 4.171 20 30 DIEDMO C[C@@H](Cc1cccnc1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258629439 1063716076 /nfs/dbraw/zinc/71/60/76/1063716076.db2.gz AMEPGDBGRRNLQT-HNNXBMFYSA-N 1 1 313.832 4.082 20 30 DIEDMO C[C@@H](Cc1cccnc1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001258629439 1063716084 /nfs/dbraw/zinc/71/60/84/1063716084.db2.gz AMEPGDBGRRNLQT-HNNXBMFYSA-N 1 1 313.832 4.082 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001461862320 1063756503 /nfs/dbraw/zinc/75/65/03/1063756503.db2.gz CBTKHMUKBKIBRR-QHCPKHFHSA-N 1 1 315.460 4.408 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCc2ccccc21 ZINC001461870409 1063760548 /nfs/dbraw/zinc/76/05/48/1063760548.db2.gz HHLAECGFUVYAGD-IBGZPJMESA-N 1 1 307.437 4.413 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC001461878976 1063770318 /nfs/dbraw/zinc/77/03/18/1063770318.db2.gz BWBGDMGUCDOVKB-ROUUACIJSA-N 1 1 318.436 4.113 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001258714916 1063773152 /nfs/dbraw/zinc/77/31/52/1063773152.db2.gz XJJSFSSXVUQBMA-QGZVFWFLSA-N 1 1 320.525 4.431 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCn2c(CC)nnc2C1 ZINC001258714916 1063773160 /nfs/dbraw/zinc/77/31/60/1063773160.db2.gz XJJSFSSXVUQBMA-QGZVFWFLSA-N 1 1 320.525 4.431 20 30 DIEDMO C=CCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001258725336 1063779414 /nfs/dbraw/zinc/77/94/14/1063779414.db2.gz JBTUOBTUWDVMBY-GGPKGHCWSA-N 1 1 300.490 4.089 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001258726823 1063779555 /nfs/dbraw/zinc/77/95/55/1063779555.db2.gz XJTGRMMLKGFZGR-QFBILLFUSA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001258733988 1063783406 /nfs/dbraw/zinc/78/34/06/1063783406.db2.gz PWTSROLHLPZABZ-BZUAXINKSA-N 1 1 310.482 4.109 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733569 1063783556 /nfs/dbraw/zinc/78/35/56/1063783556.db2.gz IXNKWQMIFVJMTK-OAHLLOKOSA-N 1 1 310.482 4.063 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001258733568 1063783686 /nfs/dbraw/zinc/78/36/86/1063783686.db2.gz IXNKWQMIFVJMTK-HNNXBMFYSA-N 1 1 310.482 4.063 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001258736251 1063784162 /nfs/dbraw/zinc/78/41/62/1063784162.db2.gz PIXVROZFJFERNO-INIZCTEOSA-N 1 1 304.453 4.077 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001258734023 1063784793 /nfs/dbraw/zinc/78/47/93/1063784793.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 1 1 312.501 4.329 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001258734023 1063784796 /nfs/dbraw/zinc/78/47/96/1063784796.db2.gz QELSSVIMBSDLNK-TZIWHRDSSA-N 1 1 312.501 4.329 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccccc1N1CCCCC1 ZINC001461901436 1063785504 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CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1cc2ccccc2o1 ZINC000518467330 332057599 /nfs/dbraw/zinc/05/75/99/332057599.db2.gz ZTEYGSOWEVNHLU-CQSZACIVSA-N 1 1 305.381 4.283 20 30 DIEDMO CC[N@@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C[C@@H](C)C#N ZINC000089891514 332079546 /nfs/dbraw/zinc/07/95/46/332079546.db2.gz NHMIIJSDAURBLL-AWEZNQCLSA-N 1 1 317.433 4.015 20 30 DIEDMO CC[N@H+](Cc1cccc(NC(=O)OC(C)(C)C)c1)C[C@@H](C)C#N ZINC000089891514 332079549 /nfs/dbraw/zinc/07/95/49/332079549.db2.gz NHMIIJSDAURBLL-AWEZNQCLSA-N 1 1 317.433 4.015 20 30 DIEDMO COc1ccc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000090665019 332092160 /nfs/dbraw/zinc/09/21/60/332092160.db2.gz IIYKKHCJQWAJML-HNAYVOBHSA-N 1 1 324.424 4.399 20 30 DIEDMO C[N@H+](CCC(F)(F)F)Cc1ccc(F)cc1C(F)(F)F ZINC000092480000 332127165 /nfs/dbraw/zinc/12/71/65/332127165.db2.gz DFIFXXIRWILAEL-UHFFFAOYSA-N 1 1 303.221 4.229 20 30 DIEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(F)cc1C(F)(F)F ZINC000092480000 332127166 /nfs/dbraw/zinc/12/71/66/332127166.db2.gz DFIFXXIRWILAEL-UHFFFAOYSA-N 1 1 303.221 4.229 20 30 DIEDMO CC[C@@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC000123751234 332245636 /nfs/dbraw/zinc/24/56/36/332245636.db2.gz MHKXOVUUDFQOIS-OAHLLOKOSA-N 1 1 317.452 4.044 20 30 DIEDMO COc1cc2c(cc1Cl)C[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000559451542 332260721 /nfs/dbraw/zinc/26/07/21/332260721.db2.gz SJGZTERUHVXVNP-UHFFFAOYSA-N 1 1 320.864 4.427 20 30 DIEDMO COc1ccc(CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000531105548 332264683 /nfs/dbraw/zinc/26/46/83/332264683.db2.gz QNSOMAWATLGNIM-UHFFFAOYSA-N 1 1 308.425 4.020 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000187757941 332307589 /nfs/dbraw/zinc/30/75/89/332307589.db2.gz WMBZPHRSQPPRSE-QGZVFWFLSA-N 1 1 318.323 4.280 20 30 DIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCCC(C)(C)C#N)CCC2 ZINC000152605658 332313892 /nfs/dbraw/zinc/31/38/92/332313892.db2.gz WRKOKUDMWOAQHR-CQSZACIVSA-N 1 1 305.491 4.345 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCC[C@H]21 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N#CCCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175855578 333105696 /nfs/dbraw/zinc/10/56/96/333105696.db2.gz YKMKKZFSSGVAEM-HZPDHXFCSA-N 1 1 306.475 4.110 20 30 DIEDMO N#CCSCCCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516650524 333109437 /nfs/dbraw/zinc/10/94/37/333109437.db2.gz OXFKFRZBIMJNNJ-QGZVFWFLSA-N 1 1 320.527 4.031 20 30 DIEDMO COc1ccc2c(c1)C[N@H+](CCCC#N)[C@@H](c1ccccc1)C2 ZINC000177463293 333129213 /nfs/dbraw/zinc/12/92/13/333129213.db2.gz DFDGIOBXUIOYDZ-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO CC(C)c1csc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)n1 ZINC000181910299 333173229 /nfs/dbraw/zinc/17/32/29/333173229.db2.gz CSVXAJQRDCXSBU-ZDUSSCGKSA-N 1 1 315.442 4.020 20 30 DIEDMO CC[N@@H+](CCCOc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497609006 333268547 /nfs/dbraw/zinc/26/85/47/333268547.db2.gz CXRIYOKWNUYPRS-QGZVFWFLSA-N 1 1 308.425 4.410 20 30 DIEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357985 333298353 /nfs/dbraw/zinc/29/83/53/333298353.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 1 1 319.537 4.293 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357985 333298355 /nfs/dbraw/zinc/29/83/55/333298355.db2.gz WUPBEYNSTWGVLW-MOPGFXCFSA-N 1 1 319.537 4.293 20 30 DIEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1Br ZINC000492609378 333305204 /nfs/dbraw/zinc/30/52/04/333305204.db2.gz SZJKAAVYJQTVDH-FZMZJTMJSA-N 1 1 307.235 4.084 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccsc1Br)c1ccc(C#N)cc1 ZINC000388552809 333336313 /nfs/dbraw/zinc/33/63/13/333336313.db2.gz RZLGNULRMLDGBK-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO C[N@@H+](CCCNc1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000390773239 333392332 /nfs/dbraw/zinc/39/23/32/333392332.db2.gz XZDCPXBUNLKVOV-UHFFFAOYSA-N 1 1 313.832 4.146 20 30 DIEDMO N#CCC1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000541025144 333570933 /nfs/dbraw/zinc/57/09/33/333570933.db2.gz UEVQLSNXYWFHNH-UHFFFAOYSA-N 1 1 315.804 4.121 20 30 DIEDMO COc1cc(C[N@@H+](Cc2cccc(F)c2)C(C)C)ccc1C#N ZINC000442818262 335151807 /nfs/dbraw/zinc/15/18/07/335151807.db2.gz ZYPYJZKDSJIZLN-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO N#CCC[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000411480442 333681442 /nfs/dbraw/zinc/68/14/42/333681442.db2.gz OINWPNRUQMGECX-CYBMUJFWSA-N 1 1 302.727 4.313 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1 ZINC000343419549 335163448 /nfs/dbraw/zinc/16/34/48/335163448.db2.gz LVIBHBCRKVJNIW-QGZVFWFLSA-N 1 1 324.449 4.052 20 30 DIEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000271183693 334019782 /nfs/dbraw/zinc/01/97/82/334019782.db2.gz LMZRUUNHNWLSJB-KRWDZBQOSA-N 1 1 324.472 4.139 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000271993216 334029357 /nfs/dbraw/zinc/02/93/57/334029357.db2.gz FMXUSPIZQPMTGI-HOTGVXAUSA-N 1 1 320.502 4.356 20 30 DIEDMO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(OC(F)F)cc1C ZINC000272549585 334037147 /nfs/dbraw/zinc/03/71/47/334037147.db2.gz QYNPZKVQMAJPTR-UHFFFAOYSA-N 1 1 308.372 4.031 20 30 DIEDMO C[C@@H](c1cccc(Br)c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272596711 334037940 /nfs/dbraw/zinc/03/79/40/334037940.db2.gz QINVKJLWYSYXSL-LBPRGKRZSA-N 1 1 307.235 4.136 20 30 DIEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273476935 334047921 /nfs/dbraw/zinc/04/79/21/334047921.db2.gz KLLLGCYSOAPEBP-MSOLQXFVSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H]1C[C@H](Nc2ccc(CC#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000273769952 334050903 /nfs/dbraw/zinc/05/09/03/334050903.db2.gz QNNREZFMGUVOCB-DYESRHJHSA-N 1 1 319.452 4.218 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000437584370 334053340 /nfs/dbraw/zinc/05/33/40/334053340.db2.gz ROMGSQRSRQCTFT-CYBMUJFWSA-N 1 1 300.352 4.072 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000277589136 334089065 /nfs/dbraw/zinc/08/90/65/334089065.db2.gz DCBHFWBWCGABLR-QGZVFWFLSA-N 1 1 324.472 4.221 20 30 DIEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000277830735 334091318 /nfs/dbraw/zinc/09/13/18/334091318.db2.gz WCOWTVFPGHZRDC-OYHNWAKOSA-N 1 1 320.502 4.137 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000278142981 334093046 /nfs/dbraw/zinc/09/30/46/334093046.db2.gz NPNYGASZFWUOAA-UHFFFAOYSA-N 1 1 310.445 4.024 20 30 DIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCC[C@H](C#N)C3)n2)cc1 ZINC000278416732 334096030 /nfs/dbraw/zinc/09/60/30/334096030.db2.gz QXKSIILTEVMMAE-QRTARXTBSA-N 1 1 324.428 4.032 20 30 DIEDMO C[C@@H](Nc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280893658 334120734 /nfs/dbraw/zinc/12/07/34/334120734.db2.gz DIMQOXOLRMRWFV-XLIONFOSSA-N 1 1 319.452 4.075 20 30 DIEDMO C=C(C)C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000281228819 334124345 /nfs/dbraw/zinc/12/43/45/334124345.db2.gz FGIKEYAWEDABSC-UHFFFAOYSA-N 1 1 312.457 4.165 20 30 DIEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCCC2(C#N)CCOCC2)c(C)c1 ZINC000282118897 334131439 /nfs/dbraw/zinc/13/14/39/334131439.db2.gz XOVDFDOSMPAPBD-GOSISDBHSA-N 1 1 314.473 4.397 20 30 DIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282132352 334131830 /nfs/dbraw/zinc/13/18/30/334131830.db2.gz YXYACQUHKWLRII-IBGZPJMESA-N 1 1 314.473 4.040 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282130566 334131858 /nfs/dbraw/zinc/13/18/58/334131858.db2.gz YSBVSDMRTMKIGZ-KRWDZBQOSA-N 1 1 300.446 4.088 20 30 DIEDMO N#CCSCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282508119 334135326 /nfs/dbraw/zinc/13/53/26/334135326.db2.gz RQDYQRQLQYXNCW-BCDXTJNWSA-N 1 1 300.471 4.044 20 30 DIEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1c1cccs1 ZINC000286927153 334155172 /nfs/dbraw/zinc/15/51/72/334155172.db2.gz KWYHSPYZZCGZRK-MRXNPFEDSA-N 1 1 318.486 4.232 20 30 DIEDMO COc1ccc(Cl)cc1[C@H](CC(C)C)[NH2+]CC1(C#N)CC1 ZINC000343584421 335179323 /nfs/dbraw/zinc/17/93/23/335179323.db2.gz OPTXFEKVMFDGQY-HNNXBMFYSA-N 1 1 306.837 4.329 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC000295058466 334216548 /nfs/dbraw/zinc/21/65/48/334216548.db2.gz GJGYMBFMNXGAIJ-HBNTYKKESA-N 1 1 302.365 4.171 20 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BMWOLYIPUUGSGM-HXUWFJFHSA-N 1 1 302.377 4.339 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000345711438 335345037 /nfs/dbraw/zinc/34/50/37/335345037.db2.gz MCABXZGSDABHRU-AWEZNQCLSA-N 1 1 317.502 4.141 20 30 DIEDMO Cc1csc(C2([NH2+][C@@H](C)C(=O)NC3CCCCC3)CCC2)n1 ZINC000329321547 335964100 /nfs/dbraw/zinc/96/41/00/335964100.db2.gz JFBUHIGECFMUOJ-ZDUSSCGKSA-N 1 1 321.490 4.098 20 30 DIEDMO CC[N@@H+](Cc1cnc2cccc(C)n12)[C@H](C)c1ccc(C#N)cc1 ZINC000351606840 336049498 /nfs/dbraw/zinc/04/94/98/336049498.db2.gz GOOVBFWYRTVRNN-MRXNPFEDSA-N 1 1 318.424 4.098 20 30 DIEDMO O=C(Nc1cccc(Cl)c1[O-])[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330358281 336177122 /nfs/dbraw/zinc/17/71/22/336177122.db2.gz UQGMGGOXEZNDAS-HNNXBMFYSA-N 1 1 322.836 4.431 20 30 DIEDMO O=C(Nc1cccc(Cl)c1O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000330358281 336177123 /nfs/dbraw/zinc/17/71/23/336177123.db2.gz UQGMGGOXEZNDAS-HNNXBMFYSA-N 1 1 322.836 4.431 20 30 DIEDMO Cn1c2ccc(NC3CCC(C)(C#N)CC3)cc2[nH+]c1C1CC1 ZINC000333495444 336204637 /nfs/dbraw/zinc/20/46/37/336204637.db2.gz BXKNNNGKDFSTFO-UHFFFAOYSA-N 1 1 308.429 4.335 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)n1 ZINC000532538228 336255356 /nfs/dbraw/zinc/25/53/56/336255356.db2.gz DQVBLQPLNVUJHI-IBGZPJMESA-N 1 1 310.828 4.232 20 30 DIEDMO CC(C)(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000352822053 336257321 /nfs/dbraw/zinc/25/73/21/336257321.db2.gz JAZTYUMIAHFESI-HNNXBMFYSA-N 1 1 317.433 4.421 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccc(CO)cc1 ZINC000182595723 336274159 /nfs/dbraw/zinc/27/41/59/336274159.db2.gz MLFBNVSJGKRFDN-UHFFFAOYSA-N 1 1 307.846 4.082 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(CO)cc1 ZINC000182595723 336274160 /nfs/dbraw/zinc/27/41/60/336274160.db2.gz MLFBNVSJGKRFDN-UHFFFAOYSA-N 1 1 307.846 4.082 20 30 DIEDMO N#Cc1cccc(Cl)c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000301168396 336292982 /nfs/dbraw/zinc/29/29/82/336292982.db2.gz FKTDROMZRMVYIL-HNNXBMFYSA-N 1 1 315.804 4.054 20 30 DIEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000301440152 336306974 /nfs/dbraw/zinc/30/69/74/336306974.db2.gz UADIMPCRMVWGID-CRAIPNDOSA-N 1 1 311.454 4.115 20 30 DIEDMO CCCC[N@@H+](C)CC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000301526091 336312528 /nfs/dbraw/zinc/31/25/28/336312528.db2.gz NKPFQVWZZGGOBX-UHFFFAOYSA-N 1 1 319.880 4.160 20 30 DIEDMO C=C(C)COCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000301685382 336323365 /nfs/dbraw/zinc/32/33/65/336323365.db2.gz VGRGOBPCCWMSCZ-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C=CCCOCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000301813015 336331869 /nfs/dbraw/zinc/33/18/69/336331869.db2.gz FLTPGXDYMVOUDG-UHFFFAOYSA-N 1 1 321.218 4.002 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nc1C ZINC000352905773 336375746 /nfs/dbraw/zinc/37/57/46/336375746.db2.gz ZEGFEPVRWIUSBP-UHFFFAOYSA-N 1 1 312.461 4.054 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(C)nc1C ZINC000352905773 336375747 /nfs/dbraw/zinc/37/57/47/336375747.db2.gz ZEGFEPVRWIUSBP-UHFFFAOYSA-N 1 1 312.461 4.054 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000418090090 336399042 /nfs/dbraw/zinc/39/90/42/336399042.db2.gz DDPYYGQQFCQCKB-MRXNPFEDSA-N 1 1 306.400 4.302 20 30 DIEDMO Cc1sc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)nc1C(C)C ZINC000353416408 336416348 /nfs/dbraw/zinc/41/63/48/336416348.db2.gz XNMWJSBPVNEQBS-INIZCTEOSA-N 1 1 311.454 4.224 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(C#N)cc1F ZINC000358565439 336634781 /nfs/dbraw/zinc/63/47/81/336634781.db2.gz ZDGOQMUOTMJDRT-KUHUBIRLSA-N 1 1 307.372 4.393 20 30 DIEDMO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(C#N)cc1F ZINC000358569969 336635018 /nfs/dbraw/zinc/63/50/18/336635018.db2.gz MWFMYLMQGJXVEY-GTNSWQLSSA-N 1 1 314.335 4.011 20 30 DIEDMO C=CCC(CC=C)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000360940695 336728524 /nfs/dbraw/zinc/72/85/24/336728524.db2.gz CYPCPERRINCKTP-UHFFFAOYSA-N 1 1 309.413 4.196 20 30 DIEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1csc(-c2ccccc2F)n1 ZINC000361000282 336731891 /nfs/dbraw/zinc/73/18/91/336731891.db2.gz YNNVNEZXDJYYES-GFCCVEGCSA-N 1 1 315.417 4.294 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000123119785 337038137 /nfs/dbraw/zinc/03/81/37/337038137.db2.gz GXCJVCUHBCECNT-ZDUSSCGKSA-N 1 1 310.228 4.259 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C#N)CCC#N ZINC000123119785 337038138 /nfs/dbraw/zinc/03/81/38/337038138.db2.gz GXCJVCUHBCECNT-ZDUSSCGKSA-N 1 1 310.228 4.259 20 30 DIEDMO N#CCCC[N@@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377524620 337054383 /nfs/dbraw/zinc/05/43/83/337054383.db2.gz NEJALGIVMMQJTG-UHFFFAOYSA-N 1 1 317.845 4.125 20 30 DIEDMO N#CCCC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000377524620 337054384 /nfs/dbraw/zinc/05/43/84/337054384.db2.gz NEJALGIVMMQJTG-UHFFFAOYSA-N 1 1 317.845 4.125 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCOc1ccccc1Cl ZINC000532897922 337134083 /nfs/dbraw/zinc/13/40/83/337134083.db2.gz WMKUMIXQMRDOPC-CQSZACIVSA-N 1 1 314.816 4.283 20 30 DIEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)c1 ZINC000174811498 337143605 /nfs/dbraw/zinc/14/36/05/337143605.db2.gz UEZLJRIAUXSAIF-QGZVFWFLSA-N 1 1 316.445 4.171 20 30 DIEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCCC(C)(C)C#N ZINC000174839487 337145009 /nfs/dbraw/zinc/14/50/09/337145009.db2.gz XWXKSYHFLFUZFT-UHFFFAOYSA-N 1 1 324.472 4.271 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1F ZINC000177857425 337160723 /nfs/dbraw/zinc/16/07/23/337160723.db2.gz LOSJZJASUABRND-KRWDZBQOSA-N 1 1 304.315 4.216 20 30 DIEDMO C=CC[N@@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCCCC1 ZINC000181327523 337181458 /nfs/dbraw/zinc/18/14/58/337181458.db2.gz CLKFTAWZZUMFLT-UHFFFAOYSA-N 1 1 314.477 4.059 20 30 DIEDMO C=CC[N@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCCCC1 ZINC000181327523 337181459 /nfs/dbraw/zinc/18/14/59/337181459.db2.gz CLKFTAWZZUMFLT-UHFFFAOYSA-N 1 1 314.477 4.059 20 30 DIEDMO COc1ccc([C@H]([NH2+]Cc2ccc(C#N)cc2)c2ccco2)cc1 ZINC000583169000 337249803 /nfs/dbraw/zinc/24/98/03/337249803.db2.gz XVNAVRRPUSWLPD-FQEVSTJZSA-N 1 1 318.376 4.039 20 30 DIEDMO N#CCCC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000399266532 337314792 /nfs/dbraw/zinc/31/47/92/337314792.db2.gz FQIXCJMBYNWLKU-UHFFFAOYSA-N 1 1 313.264 4.026 20 30 DIEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000583716135 337316782 /nfs/dbraw/zinc/31/67/82/337316782.db2.gz PHYFAGXACNZEEW-OAQYLSRUSA-N 1 1 320.436 4.271 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1Cl ZINC000584484996 337349628 /nfs/dbraw/zinc/34/96/28/337349628.db2.gz KMSBCKHXZTUMHG-AEFFLSMTSA-N 1 1 321.848 4.048 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825212 337389867 /nfs/dbraw/zinc/38/98/67/337389867.db2.gz CZVNPHMFQPKMNE-QGZVFWFLSA-N 1 1 317.392 4.079 20 30 DIEDMO N#CCCCOc1cccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424193838 337805697 /nfs/dbraw/zinc/80/56/97/337805697.db2.gz KYFCTAXGAVYJHG-PMACEKPBSA-N 1 1 324.399 4.096 20 30 DIEDMO Cc1csc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000091068168 337889033 /nfs/dbraw/zinc/88/90/33/337889033.db2.gz BSLCMKSKNPFRSG-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000428386654 338049807 /nfs/dbraw/zinc/04/98/07/338049807.db2.gz XPDGFOJUIZCVMH-UHFFFAOYSA-N 1 1 307.397 4.059 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000428388117 338049868 /nfs/dbraw/zinc/04/98/68/338049868.db2.gz LTRXICQRSDTVGD-GOSISDBHSA-N 1 1 300.352 4.323 20 30 DIEDMO CCCc1nc(C)c(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000428448884 338052080 /nfs/dbraw/zinc/05/20/80/338052080.db2.gz UMHMRNRHEHTXQF-OAHLLOKOSA-N 1 1 311.429 4.390 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000428449768 338052190 /nfs/dbraw/zinc/05/21/90/338052190.db2.gz XGQSUJIHBSHHKG-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000428449768 338052191 /nfs/dbraw/zinc/05/21/91/338052191.db2.gz XGQSUJIHBSHHKG-CQSZACIVSA-N 1 1 307.372 4.152 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000428937004 338065628 /nfs/dbraw/zinc/06/56/28/338065628.db2.gz CIBBHZRNKDNFSY-UHFFFAOYSA-N 1 1 312.363 4.158 20 30 DIEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccccc1 ZINC000430098594 338096444 /nfs/dbraw/zinc/09/64/44/338096444.db2.gz CWVZJHKYPRVPMM-INIZCTEOSA-N 1 1 318.424 4.178 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000430108088 338097204 /nfs/dbraw/zinc/09/72/04/338097204.db2.gz ZADKTFUWMJJNOH-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1 ZINC000430108088 338097205 /nfs/dbraw/zinc/09/72/05/338097205.db2.gz ZADKTFUWMJJNOH-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1cccc(C#N)c1 ZINC000432748244 338165976 /nfs/dbraw/zinc/16/59/76/338165976.db2.gz OAMJHGWKWBZBFB-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1cccc(C#N)c1 ZINC000432748244 338165977 /nfs/dbraw/zinc/16/59/77/338165977.db2.gz OAMJHGWKWBZBFB-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000433196170 338185212 /nfs/dbraw/zinc/18/52/12/338185212.db2.gz GXWHNNSJCJWIJF-UHFFFAOYSA-N 1 1 323.770 4.473 20 30 DIEDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc(F)c(C#N)c1 ZINC000433233398 338187008 /nfs/dbraw/zinc/18/70/08/338187008.db2.gz OWUIQFRRIGDAQM-UHFFFAOYSA-N 1 1 306.743 4.122 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000437511761 338312158 /nfs/dbraw/zinc/31/21/58/338312158.db2.gz CYBPEDBRPWXTCU-AWEZNQCLSA-N 1 1 318.486 4.024 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CC[C@H]2CCOC2)C(C)(C)C)cc1 ZINC000437589540 338315196 /nfs/dbraw/zinc/31/51/96/338315196.db2.gz KWPXQMCDUYIMBF-SFHVURJKSA-N 1 1 317.473 4.279 20 30 DIEDMO FC(F)(F)CC[N@@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC000438473541 338344997 /nfs/dbraw/zinc/34/49/97/338344997.db2.gz DZOQWEBDBOJQQA-UHFFFAOYSA-N 1 1 315.766 4.356 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccc(F)c1F ZINC000439434204 338369325 /nfs/dbraw/zinc/36/93/25/338369325.db2.gz BDIUDXGSQAGYOS-SNVBAGLBSA-N 1 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/nfs/dbraw/zinc/39/23/98/338392398.db2.gz JJCFEDBHBNOGOL-UHFFFAOYSA-N 1 1 321.424 4.088 20 30 DIEDMO CCOc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O ZINC000459305833 339020574 /nfs/dbraw/zinc/02/05/74/339020574.db2.gz QULIKCXHZFZRDV-UHFFFAOYSA-N 1 1 324.424 4.073 20 30 DIEDMO Cc1ccccc1[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000459399604 339027071 /nfs/dbraw/zinc/02/70/71/339027071.db2.gz VQYDCJHHUMOEIR-IBGZPJMESA-N 1 1 323.396 4.262 20 30 DIEDMO CC[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000459484188 339032099 /nfs/dbraw/zinc/03/20/99/339032099.db2.gz ZWYLOIVSQCBATD-QGZVFWFLSA-N 1 1 309.369 4.016 20 30 DIEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673365 339042339 /nfs/dbraw/zinc/04/23/39/339042339.db2.gz YLFKCPISANKXKG-GJZGRUSLSA-N 1 1 319.411 4.412 20 30 DIEDMO C=CC[N@H+](CCCc1ccncc1)Cc1ccc(Cl)s1 ZINC000462310242 339075435 /nfs/dbraw/zinc/07/54/35/339075435.db2.gz FZBYEZMOJVURIZ-UHFFFAOYSA-N 1 1 306.862 4.417 20 30 DIEDMO 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C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)c(F)c1 ZINC000512066119 340347389 /nfs/dbraw/zinc/34/73/89/340347389.db2.gz BTBQSIHGIYNHAM-UHFFFAOYSA-N 1 1 316.326 4.164 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2cc[nH]c21 ZINC000512069852 340347631 /nfs/dbraw/zinc/34/76/31/340347631.db2.gz ZDTJAHHGCVAEFV-UHFFFAOYSA-N 1 1 301.393 4.228 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cccc(F)c1 ZINC000512149414 340349715 /nfs/dbraw/zinc/34/97/15/340349715.db2.gz RLUYNVGVCBMFLI-CQSZACIVSA-N 1 1 303.377 4.050 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C(F)F)cc1 ZINC000512212745 340352579 /nfs/dbraw/zinc/35/25/79/340352579.db2.gz PBDUPHXFOAALEU-UHFFFAOYSA-N 1 1 321.367 4.288 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)c(F)c1 ZINC000512215106 340352817 /nfs/dbraw/zinc/35/28/17/340352817.db2.gz UWIYSMWMPPLROT-UHFFFAOYSA-N 1 1 323.795 4.143 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(Cl)c(F)c1 ZINC000512215106 340352818 /nfs/dbraw/zinc/35/28/18/340352818.db2.gz UWIYSMWMPPLROT-UHFFFAOYSA-N 1 1 323.795 4.143 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000512532719 340365736 /nfs/dbraw/zinc/36/57/36/340365736.db2.gz UNAKLEUHNWBHRO-KRWDZBQOSA-N 1 1 322.456 4.475 20 30 DIEDMO CCOc1cc(C)ccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512630562 340370061 /nfs/dbraw/zinc/37/00/61/340370061.db2.gz NJRGASKSHROPLY-CQSZACIVSA-N 1 1 312.388 4.255 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C#N)cc1F ZINC000512652605 340371068 /nfs/dbraw/zinc/37/10/68/340371068.db2.gz AQUSOKGEVUWSHS-NWDGAFQWSA-N 1 1 313.332 4.017 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1ccc(C#N)cc1F ZINC000512654934 340371234 /nfs/dbraw/zinc/37/12/34/340371234.db2.gz PYCUDKAIULQLSM-MNOVXSKESA-N 1 1 304.315 4.387 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cccc(F)c1F ZINC000512654936 340371366 /nfs/dbraw/zinc/37/13/66/340371366.db2.gz PYCUDKAIULQLSM-WDEREUQCSA-N 1 1 304.315 4.387 20 30 DIEDMO CSc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512661608 340371682 /nfs/dbraw/zinc/37/16/82/340371682.db2.gz SXYBXUMLEPZRSW-LLVKDONJSA-N 1 1 318.392 4.409 20 30 DIEDMO C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000512664911 340371880 /nfs/dbraw/zinc/37/18/80/340371880.db2.gz CAYZFAILXRDPKY-HNNXBMFYSA-N 1 1 317.452 4.003 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(F)c(F)c1 ZINC000187369723 340519317 /nfs/dbraw/zinc/51/93/17/340519317.db2.gz ABCVJHLHIKQYBW-KRWDZBQOSA-N 1 1 317.335 4.101 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(Cl)cc1C#N)c1cccc(F)c1 ZINC000187429342 340519939 /nfs/dbraw/zinc/51/99/39/340519939.db2.gz ZRHYKSULGSHATD-UHFFFAOYSA-N 1 1 302.780 4.376 20 30 DIEDMO Fc1ccc([C@H](CC(F)(F)F)[NH2+]CC#Cc2ccccc2)cc1 ZINC000192152754 340563152 /nfs/dbraw/zinc/56/31/52/340563152.db2.gz NBEVUINYIAFELJ-KRWDZBQOSA-N 1 1 321.317 4.461 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000192182264 340564174 /nfs/dbraw/zinc/56/41/74/340564174.db2.gz RVVNBMRQPNLACP-NSHDSACASA-N 1 1 317.433 4.302 20 30 DIEDMO N#Cc1cccc(CNc2cc(CCc3ccccc3)cc[nH+]2)c1 ZINC000539601451 340892006 /nfs/dbraw/zinc/89/20/06/340892006.db2.gz LGQVHQXZOPVHRZ-UHFFFAOYSA-N 1 1 313.404 4.351 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000540328880 340927251 /nfs/dbraw/zinc/92/72/51/340927251.db2.gz VKUHTQGJMWYFQC-HNNXBMFYSA-N 1 1 324.424 4.205 20 30 DIEDMO CCCOc1ccc2c(c1)CC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000542211522 341000337 /nfs/dbraw/zinc/00/03/37/341000337.db2.gz BWTXIOIPNUWTBP-UHFFFAOYSA-N 1 1 320.436 4.100 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000542211672 341000390 /nfs/dbraw/zinc/00/03/90/341000390.db2.gz KNWQJSZIXBYPHY-CYBMUJFWSA-N 1 1 300.352 4.224 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000542276942 341002937 /nfs/dbraw/zinc/00/29/37/341002937.db2.gz FIPWFJWUDBADGJ-FOIQADDNSA-N 1 1 308.400 4.475 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000542482550 341009422 /nfs/dbraw/zinc/00/94/22/341009422.db2.gz LXWGVYGFSKLBAH-UHFFFAOYSA-N 1 1 309.438 4.057 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000542482550 341009423 /nfs/dbraw/zinc/00/94/23/341009423.db2.gz LXWGVYGFSKLBAH-UHFFFAOYSA-N 1 1 309.438 4.057 20 30 DIEDMO C=C(C)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000542518173 341011807 /nfs/dbraw/zinc/01/18/07/341011807.db2.gz OTSOLDGTPGQVAE-QGZVFWFLSA-N 1 1 308.416 4.046 20 30 DIEDMO C=CC[N@@H+](CCCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC000542520881 341011940 /nfs/dbraw/zinc/01/19/40/341011940.db2.gz NWADSSJJSNRQCO-UHFFFAOYSA-N 1 1 320.436 4.153 20 30 DIEDMO C=CCCCCC[N@@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000130504397 341024153 /nfs/dbraw/zinc/02/41/53/341024153.db2.gz NBOJVKWZMNXRAM-UHFFFAOYSA-N 1 1 313.445 4.147 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000130504397 341024154 /nfs/dbraw/zinc/02/41/54/341024154.db2.gz NBOJVKWZMNXRAM-UHFFFAOYSA-N 1 1 313.445 4.147 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCC(C)(C)C#N)c1 ZINC000543173001 341035110 /nfs/dbraw/zinc/03/51/10/341035110.db2.gz YKOIUTMLJWJHIE-YJBOKZPZSA-N 1 1 300.446 4.408 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(-c2ccncc2)c1 ZINC000130769002 341042235 /nfs/dbraw/zinc/04/22/35/341042235.db2.gz LYDJFMGWDCQWJP-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO COc1ccc([C@@H](C)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543413534 341043128 /nfs/dbraw/zinc/04/31/28/341043128.db2.gz RTXPFMVOCRLVRH-INIZCTEOSA-N 1 1 320.436 4.335 20 30 DIEDMO Cc1ccc(-c2ncc(C[N@@H+](C)Cc3cccc(C#N)c3)s2)o1 ZINC000130786196 341043906 /nfs/dbraw/zinc/04/39/06/341043906.db2.gz ZOUOIOJSSVQGBZ-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO Cc1ccc(-c2ncc(C[N@H+](C)Cc3cccc(C#N)c3)s2)o1 ZINC000130786196 341043907 /nfs/dbraw/zinc/04/39/07/341043907.db2.gz ZOUOIOJSSVQGBZ-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO COc1ccc([C@@H]([NH2+]CCCC#N)c2ccccc2Cl)cc1 ZINC000543427869 341044153 /nfs/dbraw/zinc/04/41/53/341044153.db2.gz GGGKUSHADSLGJE-GOSISDBHSA-N 1 1 314.816 4.331 20 30 DIEDMO C[N@H+](C/C=C/c1ccc(F)cc1F)Cc1cc(C#N)ccc1F ZINC000543628510 341051793 /nfs/dbraw/zinc/05/17/93/341051793.db2.gz SSRBTQYDZVLNCU-NSCUHMNNSA-N 1 1 316.326 4.121 20 30 DIEDMO C[N@@H+](C/C=C/c1ccc(F)cc1F)Cc1cc(C#N)ccc1F ZINC000543628510 341051794 /nfs/dbraw/zinc/05/17/94/341051794.db2.gz SSRBTQYDZVLNCU-NSCUHMNNSA-N 1 1 316.326 4.121 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000130907716 341053654 /nfs/dbraw/zinc/05/36/54/341053654.db2.gz VMNLOVHMHXDLOJ-LLVKDONJSA-N 1 1 304.315 4.169 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000567523609 341055999 /nfs/dbraw/zinc/05/59/99/341055999.db2.gz GEQRQJBWYGODMD-UHFFFAOYSA-N 1 1 306.475 4.025 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(C(F)(F)F)c1 ZINC000131061172 341057403 /nfs/dbraw/zinc/05/74/03/341057403.db2.gz PVJNKJMKHQDENQ-LBPRGKRZSA-N 1 1 304.315 4.428 20 30 DIEDMO N#CCC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000543780556 341058367 /nfs/dbraw/zinc/05/83/67/341058367.db2.gz MFMBTYCASFEFLO-UHFFFAOYSA-N 1 1 315.417 4.075 20 30 DIEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000544144051 341072233 /nfs/dbraw/zinc/07/22/33/341072233.db2.gz OEUCWQUYZHADCQ-UTKZUKDTSA-N 1 1 304.437 4.206 20 30 DIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000544485389 341084155 /nfs/dbraw/zinc/08/41/55/341084155.db2.gz AFAQYXIWZOVJHU-CYBMUJFWSA-N 1 1 311.454 4.381 20 30 DIEDMO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000544485390 341084167 /nfs/dbraw/zinc/08/41/67/341084167.db2.gz AFAQYXIWZOVJHU-ZDUSSCGKSA-N 1 1 311.454 4.381 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000545163286 341110776 /nfs/dbraw/zinc/11/07/76/341110776.db2.gz GTMOPSMKEBEDEE-CYBMUJFWSA-N 1 1 304.340 4.223 20 30 DIEDMO Cc1ccc(-c2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)on2)cc1 ZINC000073872323 341122594 /nfs/dbraw/zinc/12/25/94/341122594.db2.gz DUVSUOFPLMEWCK-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO Cc1ccc(-c2cc(C[N@H+](C)Cc3ccc(C#N)cc3)on2)cc1 ZINC000073872323 341122595 /nfs/dbraw/zinc/12/25/95/341122595.db2.gz DUVSUOFPLMEWCK-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000545870911 341143737 /nfs/dbraw/zinc/14/37/37/341143737.db2.gz CDVWSQQPILDBBE-MRXNPFEDSA-N 1 1 310.397 4.269 20 30 DIEDMO C[N@@H+](CCCSCC#N)Cc1ccccc1-c1ccccc1 ZINC000074989930 341159075 /nfs/dbraw/zinc/15/90/75/341159075.db2.gz ZIFMJJLWUSIICB-UHFFFAOYSA-N 1 1 310.466 4.432 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000075940394 341191502 /nfs/dbraw/zinc/19/15/02/341191502.db2.gz JAYQGEQXGIEQBD-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000075940394 341191503 /nfs/dbraw/zinc/19/15/03/341191503.db2.gz JAYQGEQXGIEQBD-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1C#N ZINC000134985786 341228007 /nfs/dbraw/zinc/22/80/07/341228007.db2.gz WKPCERHPHIPCAQ-IBGZPJMESA-N 1 1 321.424 4.079 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ccncc2C#N)cc1 ZINC000548153545 341249932 /nfs/dbraw/zinc/24/99/32/341249932.db2.gz VFCOGYBCGBBAQB-HNNXBMFYSA-N 1 1 306.413 4.071 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549081454 341285679 /nfs/dbraw/zinc/28/56/79/341285679.db2.gz VRLRIGYCEDZUSG-SFHVURJKSA-N 1 1 306.400 4.416 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000549081454 341285680 /nfs/dbraw/zinc/28/56/80/341285680.db2.gz VRLRIGYCEDZUSG-SFHVURJKSA-N 1 1 306.400 4.416 20 30 DIEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000549159865 341287414 /nfs/dbraw/zinc/28/74/14/341287414.db2.gz YFKMUURLQOAMAN-CQSZACIVSA-N 1 1 324.428 4.009 20 30 DIEDMO Cc1cc(C[N@@H+](CCC#N)C(C)C)ccc1Oc1cccnc1 ZINC000551970187 341356407 /nfs/dbraw/zinc/35/64/07/341356407.db2.gz YLOHEBQGUBKPPX-UHFFFAOYSA-N 1 1 309.413 4.306 20 30 DIEDMO Cc1cc(C[N@H+](CCC#N)C(C)C)ccc1Oc1cccnc1 ZINC000551970187 341356408 /nfs/dbraw/zinc/35/64/08/341356408.db2.gz YLOHEBQGUBKPPX-UHFFFAOYSA-N 1 1 309.413 4.306 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1OCCC)c1ccco1 ZINC000552049248 341365129 /nfs/dbraw/zinc/36/51/29/341365129.db2.gz RCDMPRQKUZUGJO-MRXNPFEDSA-N 1 1 300.402 4.261 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000552069009 341367326 /nfs/dbraw/zinc/36/73/26/341367326.db2.gz ZOGFCBPXLXVFSG-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1 ZINC000552069009 341367327 /nfs/dbraw/zinc/36/73/27/341367327.db2.gz ZOGFCBPXLXVFSG-IBGZPJMESA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nc3c(s2)CCC3)cc1 ZINC000552087453 341368600 /nfs/dbraw/zinc/36/86/00/341368600.db2.gz IKAFBZZSUIWWGT-ZDUSSCGKSA-N 1 1 314.454 4.047 20 30 DIEDMO C=CCC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276452 341383363 /nfs/dbraw/zinc/38/33/63/341383363.db2.gz YIRPHFFFSBQMDQ-ZWKOTPCHSA-N 1 1 304.478 4.245 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000552316504 341386050 /nfs/dbraw/zinc/38/60/50/341386050.db2.gz CFRYQDBTTYTBMJ-CQSZACIVSA-N 1 1 302.830 4.263 20 30 DIEDMO CSc1cccc(F)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000552326040 341386695 /nfs/dbraw/zinc/38/66/95/341386695.db2.gz GDKFTFUEUACILT-LLVKDONJSA-N 1 1 318.392 4.409 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1ccc(C#N)cc1 ZINC000554847504 341466570 /nfs/dbraw/zinc/46/65/70/341466570.db2.gz ABKQEKVRUYZXLC-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000564600114 341504874 /nfs/dbraw/zinc/50/48/74/341504874.db2.gz WIWLQGDJNPHYOJ-HIFRSBDPSA-N 1 1 324.453 4.213 20 30 DIEDMO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000574766622 341768256 /nfs/dbraw/zinc/76/82/56/341768256.db2.gz UMVCBNVRVLENIE-OOVXXXAESA-N 1 1 317.845 4.155 20 30 DIEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)no1 ZINC000265566137 519866241 /nfs/dbraw/zinc/86/62/41/519866241.db2.gz WFCZVWQMZIENJA-WMLDXEAASA-N 1 1 324.428 4.005 20 30 DIEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000338370390 520848154 /nfs/dbraw/zinc/84/81/54/520848154.db2.gz OJERTIVHJFWHNU-UHFFFAOYSA-N 1 1 317.392 4.083 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000266023794 522229797 /nfs/dbraw/zinc/22/97/97/522229797.db2.gz XNMJUWWBAWDBQG-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000266023794 522229808 /nfs/dbraw/zinc/22/98/08/522229808.db2.gz XNMJUWWBAWDBQG-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000338378788 526750750 /nfs/dbraw/zinc/75/07/50/526750750.db2.gz UBXVXVIJCDKQCE-LBPRGKRZSA-N 1 1 323.421 4.434 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1cccc(Br)c1OC ZINC001140155921 1046601341 /nfs/dbraw/zinc/60/13/41/1046601341.db2.gz NIKVFUWEZHSMJE-UHFFFAOYSA-N 1 1 312.251 4.246 20 30 DIEDMO C=CCCCCCCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001207898548 1035517572 /nfs/dbraw/zinc/51/75/72/1035517572.db2.gz BEKXPRGDBFYLLL-UHFFFAOYSA-N 1 1 310.501 4.411 20 30 DIEDMO C=C(C)CN(CC)c1[nH+]cnc2c1ccn2Cc1ccc(F)cc1 ZINC001167050968 1035581074 /nfs/dbraw/zinc/58/10/74/1035581074.db2.gz NZGXWNCVNBGTHP-UHFFFAOYSA-N 1 1 324.403 4.021 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062668 1035682747 /nfs/dbraw/zinc/68/27/47/1035682747.db2.gz MHYCDFSJMSDODH-CZUORRHYSA-N 1 1 314.256 4.457 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC001167062655 1035682990 /nfs/dbraw/zinc/68/29/90/1035682990.db2.gz MHYCDFSJMSDODH-BBRMVZONSA-N 1 1 314.256 4.457 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1c1ccccc1 ZINC000610216062 1035749203 /nfs/dbraw/zinc/74/92/03/1035749203.db2.gz HSNPSYBRRSJMBE-DNVCBOLYSA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CC[C@H]1c1ccccc1 ZINC000610216085 1035752964 /nfs/dbraw/zinc/75/29/64/1035752964.db2.gz KAJPEXYJHBIFBX-YLJYHZDGSA-N 1 1 320.436 4.063 20 30 DIEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001167083863 1035880418 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CC(C)(C#N)C[C@H](O)CNc1ccc([NH2+]C2CCCCC2)cc1 ZINC000598725874 1038160084 /nfs/dbraw/zinc/16/00/84/1038160084.db2.gz JADHSBIOUJSSKB-SFHVURJKSA-N 1 1 315.461 4.144 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1F ZINC000341596465 1038166540 /nfs/dbraw/zinc/16/65/40/1038166540.db2.gz WXMUXUCGJOOTBP-OAHLLOKOSA-N 1 1 322.305 4.481 20 30 DIEDMO N#Cc1ccc(C[N@H+](CCc2c(F)cccc2F)C2CC2)cc1 ZINC001168413992 1038180402 /nfs/dbraw/zinc/18/04/02/1038180402.db2.gz NBPJJBQTCLLWHZ-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nsc3ccccc32)cc1 ZINC000603431364 1038207668 /nfs/dbraw/zinc/20/76/68/1038207668.db2.gz WSQGPJCFCJHWQT-UHFFFAOYSA-N 1 1 321.449 4.387 20 30 DIEDMO CN(C)c1cccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000610614581 1038223725 /nfs/dbraw/zinc/22/37/25/1038223725.db2.gz UKECJDVRBOVFNA-SFTDATJTSA-N 1 1 319.452 4.024 20 30 DIEDMO C[N@@H+](CCSc1ccc(Cl)cc1)Cc1ccc(C#N)cc1 ZINC000603581453 1038249562 /nfs/dbraw/zinc/24/95/62/1038249562.db2.gz 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N#CC1(C[C@@H](O)C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000599436862 1038285496 /nfs/dbraw/zinc/28/54/96/1038285496.db2.gz AVNZLKGWZOVQFB-RTBURBONSA-N 1 1 324.468 4.049 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1F ZINC000341846843 1038293883 /nfs/dbraw/zinc/29/38/83/1038293883.db2.gz NLZWXODROCMZOM-MRXNPFEDSA-N 1 1 304.315 4.216 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000603889924 1038314325 /nfs/dbraw/zinc/31/43/25/1038314325.db2.gz FNNBPYLTMBOPNW-LJQANCHMSA-N 1 1 315.420 4.419 20 30 DIEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCCSCC#N ZINC000599623026 1038318787 /nfs/dbraw/zinc/31/87/87/1038318787.db2.gz UBYHLEHKFFWKBB-MRXNPFEDSA-N 1 1 306.450 4.040 20 30 DIEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCCSCC#N ZINC000599623021 1038319980 /nfs/dbraw/zinc/31/99/80/1038319980.db2.gz UBYHLEHKFFWKBB-INIZCTEOSA-N 1 1 306.450 4.040 20 30 DIEDMO Cc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1C#N ZINC000599695453 1038334723 /nfs/dbraw/zinc/33/47/23/1038334723.db2.gz CLESMUYJOATNQM-UHFFFAOYSA-N 1 1 312.363 4.314 20 30 DIEDMO N#CCc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1 ZINC000599697887 1038335335 /nfs/dbraw/zinc/33/53/35/1038335335.db2.gz IAZXFJAMYUITGL-UHFFFAOYSA-N 1 1 312.363 4.200 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc2ccccc12 ZINC000535799713 1038341423 /nfs/dbraw/zinc/34/14/23/1038341423.db2.gz KUAIQKKHKSAEDX-UHFFFAOYSA-N 1 1 318.420 4.432 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)c1 ZINC000604013340 1038343166 /nfs/dbraw/zinc/34/31/66/1038343166.db2.gz BRDNTPZQHBFXMK-FQEVSTJZSA-N 1 1 306.409 4.083 20 30 DIEDMO Cc1cc(F)ccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000535840988 1038391704 /nfs/dbraw/zinc/39/17/04/1038391704.db2.gz RGQCFLUMVUKFIH-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000926317895 1038409924 /nfs/dbraw/zinc/40/99/24/1038409924.db2.gz RYPCTOAGWFNZNJ-BDAKNGLRSA-N 1 1 305.369 4.141 20 30 DIEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521409 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C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000187702346 1038457227 /nfs/dbraw/zinc/45/72/27/1038457227.db2.gz XMZJCXKIAFTHLC-XLIONFOSSA-N 1 1 320.436 4.158 20 30 DIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000538395937 1038468738 /nfs/dbraw/zinc/46/87/38/1038468738.db2.gz TYLJMIQSVRDAAC-DLBZAZTESA-N 1 1 313.489 4.109 20 30 DIEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000538395937 1038468740 /nfs/dbraw/zinc/46/87/40/1038468740.db2.gz TYLJMIQSVRDAAC-DLBZAZTESA-N 1 1 313.489 4.109 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000187706998 1038474774 /nfs/dbraw/zinc/47/47/74/1038474774.db2.gz NJNFEJIEJVFKJX-SUNYJGFJSA-N 1 1 312.438 4.143 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000187706998 1038474781 /nfs/dbraw/zinc/47/47/81/1038474781.db2.gz NJNFEJIEJVFKJX-SUNYJGFJSA-N 1 1 312.438 4.143 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000342205531 1038476093 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CC[C@@H](Cc1ccccc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001167516944 1038542258 /nfs/dbraw/zinc/54/22/58/1038542258.db2.gz LDLKFKUNLCTMEE-FQEVSTJZSA-N 1 1 322.452 4.280 20 30 DIEDMO C[N@@H+](CCCOc1cccc(Cl)c1)Cc1cccc(C#N)c1 ZINC000071968578 1038549133 /nfs/dbraw/zinc/54/91/33/1038549133.db2.gz PBCNSSRYFYOMIK-UHFFFAOYSA-N 1 1 314.816 4.113 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000934293268 1038582583 /nfs/dbraw/zinc/58/25/83/1038582583.db2.gz NTEORSRKIOJUHB-GOSISDBHSA-N 1 1 311.404 4.278 20 30 DIEDMO COc1cc(C[N@@H+](Cc2cccs2)C(C)C)ccc1C#N ZINC000234944666 1038586669 /nfs/dbraw/zinc/58/66/69/1038586669.db2.gz CPLZXPRQGNDUGK-UHFFFAOYSA-N 1 1 300.427 4.039 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)nc1 ZINC000593977757 1038600208 /nfs/dbraw/zinc/60/02/08/1038600208.db2.gz VCXBCLSAWLNXBU-QZEKMECESA-N 1 1 323.465 4.473 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)nc1 ZINC000593976723 1038600512 /nfs/dbraw/zinc/60/05/12/1038600512.db2.gz 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ZINC000934460254 1038664133 /nfs/dbraw/zinc/66/41/33/1038664133.db2.gz OUZLOOURCXFACR-HNNXBMFYSA-N 1 1 305.381 4.040 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2cccc3ccccc32)o1 ZINC000934460254 1038664138 /nfs/dbraw/zinc/66/41/38/1038664138.db2.gz OUZLOOURCXFACR-HNNXBMFYSA-N 1 1 305.381 4.040 20 30 DIEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C#N)c1)CCC2 ZINC000152574515 1038677092 /nfs/dbraw/zinc/67/70/92/1038677092.db2.gz XEYBHYIKYBIMLM-MRXNPFEDSA-N 1 1 311.454 4.087 20 30 DIEDMO CC[N@H+](Cc1nc2ccccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119871863 1038682343 /nfs/dbraw/zinc/68/23/43/1038682343.db2.gz WLBIINOMLHYJBG-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO CC[N@@H+](Cc1nc2ccccc2[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119871863 1038682350 /nfs/dbraw/zinc/68/23/50/1038682350.db2.gz WLBIINOMLHYJBG-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)Cc1cccc(C#N)c1 ZINC000063300115 1038695429 /nfs/dbraw/zinc/69/54/29/1038695429.db2.gz BXBXLGCTEBXKHW-FXAWDEMLSA-N 1 1 312.457 4.142 20 30 DIEDMO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)C1CCCCC1 ZINC000063458799 1038746608 /nfs/dbraw/zinc/74/66/08/1038746608.db2.gz ATDYUIOQURPLJR-UHFFFAOYSA-N 1 1 313.401 4.019 20 30 DIEDMO N#C[C@@H]1CCC[N@H+](CCCc2ccc(Br)cc2)CC1 ZINC001207321826 1038771544 /nfs/dbraw/zinc/77/15/44/1038771544.db2.gz ATOKBPFZKLFQIX-OAHLLOKOSA-N 1 1 321.262 4.007 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342800954 1038805206 /nfs/dbraw/zinc/80/52/06/1038805206.db2.gz VQLZJMMOAWGIFY-UHFFFAOYSA-N 1 1 322.456 4.058 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000693642275 1038920052 /nfs/dbraw/zinc/92/00/52/1038920052.db2.gz ZXIMJPJDCFNNJW-UHFFFAOYSA-N 1 1 309.171 4.294 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1cn2ccccc2c1C#N)c1ccccc1 ZINC000608976705 1038949722 /nfs/dbraw/zinc/94/97/22/1038949722.db2.gz IPUBHSFURWHFBF-MRXNPFEDSA-N 1 1 303.409 4.046 20 30 DIEDMO C=CC[N@H+](Cc1ccc(COC)cc1)Cc1ccc(OC)cc1 ZINC000534344683 1039034232 /nfs/dbraw/zinc/03/42/32/1039034232.db2.gz 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/nfs/dbraw/zinc/25/79/62/1039257962.db2.gz DJZDKLAYTIQYLM-UHFFFAOYSA-N 1 1 309.438 4.122 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccc(F)cc1F ZINC000539607470 1039298824 /nfs/dbraw/zinc/29/88/24/1039298824.db2.gz OOXYRNYMJVCBEL-WDEREUQCSA-N 1 1 304.315 4.387 20 30 DIEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000064140937 1039313504 /nfs/dbraw/zinc/31/35/04/1039313504.db2.gz NRAZFBCTSNIMNX-CYBMUJFWSA-N 1 1 316.351 4.353 20 30 DIEDMO C=CCc1cc(CNc2cccc3cc[nH+]cc32)cc(OC)c1O ZINC000539693512 1039322679 /nfs/dbraw/zinc/32/26/79/1039322679.db2.gz COFMUNLPLPEVMB-UHFFFAOYSA-N 1 1 320.392 4.290 20 30 DIEDMO C[C@H](C#N)C[N@@H+](C[C@@H](C)c1cccc(Br)c1)C1CC1 ZINC000539825460 1039343717 /nfs/dbraw/zinc/34/37/17/1039343717.db2.gz TZZLYFJATVEELZ-CHWSQXEVSA-N 1 1 321.262 4.177 20 30 DIEDMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000539826061 1039351876 /nfs/dbraw/zinc/35/18/76/1039351876.db2.gz HCDBYAGXILYVPX-UXHICEINSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000539826061 1039351889 /nfs/dbraw/zinc/35/18/89/1039351889.db2.gz HCDBYAGXILYVPX-UXHICEINSA-N 1 1 308.400 4.406 20 30 DIEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000539837017 1039365672 /nfs/dbraw/zinc/36/56/72/1039365672.db2.gz UMTXQQMMUXEODU-GFCCVEGCSA-N 1 1 304.846 4.336 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)o1 ZINC000539896829 1039384157 /nfs/dbraw/zinc/38/41/57/1039384157.db2.gz ROTJHRWBUKLEAS-OAQYLSRUSA-N 1 1 314.388 4.451 20 30 DIEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)o1 ZINC000539896829 1039384170 /nfs/dbraw/zinc/38/41/70/1039384170.db2.gz ROTJHRWBUKLEAS-OAQYLSRUSA-N 1 1 314.388 4.451 20 30 DIEDMO Cc1ccc(Br)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001140649482 1039384940 /nfs/dbraw/zinc/38/49/40/1039384940.db2.gz SXQOCUCEWPPAMR-UHFFFAOYSA-N 1 1 321.262 4.416 20 30 DIEDMO C=C(CC)C[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000540204568 1039450920 /nfs/dbraw/zinc/45/09/20/1039450920.db2.gz HPWYVWXLKRODFE-UHFFFAOYSA-N 1 1 301.409 4.046 20 30 DIEDMO N#CCCCCNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001168434094 1039461383 /nfs/dbraw/zinc/46/13/83/1039461383.db2.gz NXBMDDLJPKDILB-UHFFFAOYSA-N 1 1 305.425 4.308 20 30 DIEDMO CC[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(C#N)cc1 ZINC000340487713 1039513455 /nfs/dbraw/zinc/51/34/55/1039513455.db2.gz MIYCVEFRYIVXEQ-KRWDZBQOSA-N 1 1 304.315 4.216 20 30 DIEDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000540594701 1039524123 /nfs/dbraw/zinc/52/41/23/1039524123.db2.gz XSQNBQUZCBNAAW-VDGAXYAQSA-N 1 1 313.489 4.109 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1ccc(C#N)s1)[C@H]2C ZINC000540994858 1039603265 /nfs/dbraw/zinc/60/32/65/1039603265.db2.gz CKDGPRPXFIHIFI-STQMWFEESA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C#N)s1)[C@H]2C ZINC000540994858 1039603272 /nfs/dbraw/zinc/60/32/72/1039603272.db2.gz CKDGPRPXFIHIFI-STQMWFEESA-N 1 1 312.438 4.136 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1Cl ZINC000090117624 1039633077 /nfs/dbraw/zinc/63/30/77/1039633077.db2.gz JLDAZERRAXDNJD-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000584190015 1039637081 /nfs/dbraw/zinc/63/70/81/1039637081.db2.gz FXLBIUOEWNUEGO-QGZVFWFLSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000584190015 1039637090 /nfs/dbraw/zinc/63/70/90/1039637090.db2.gz FXLBIUOEWNUEGO-QGZVFWFLSA-N 1 1 312.438 4.211 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)cc1 ZINC000541280971 1039652508 /nfs/dbraw/zinc/65/25/08/1039652508.db2.gz BBNAUHZCMHKABQ-FQEVSTJZSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000541314658 1039662774 /nfs/dbraw/zinc/66/27/74/1039662774.db2.gz IFFWIOYVEQMTBO-IIBYNOLFSA-N 1 1 320.436 4.344 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC000541326050 1039665563 /nfs/dbraw/zinc/66/55/63/1039665563.db2.gz SXBDZHFJVDGBKK-JLTOFOAXSA-N 1 1 324.399 4.289 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000541349756 1039670794 /nfs/dbraw/zinc/67/07/94/1039670794.db2.gz RMUUMOHACDPMNM-DYESRHJHSA-N 1 1 320.436 4.023 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000541349891 1039671698 /nfs/dbraw/zinc/67/16/98/1039671698.db2.gz CFBJMLXCUWFDIR-SFHVURJKSA-N 1 1 310.828 4.396 20 30 DIEDMO N#CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000541570837 1039708394 /nfs/dbraw/zinc/70/83/94/1039708394.db2.gz ZPRWOUDMPOATPO-KRWDZBQOSA-N 1 1 302.780 4.462 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H]2CCCC[C@H]21 ZINC000542184564 1039810867 /nfs/dbraw/zinc/81/08/67/1039810867.db2.gz CMCORCHOIWSIEC-LSTHTHJFSA-N 1 1 312.457 4.380 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000030224089 1039871167 /nfs/dbraw/zinc/87/11/67/1039871167.db2.gz WGRCIADEASFXDT-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000030224089 1039871185 /nfs/dbraw/zinc/87/11/85/1039871185.db2.gz WGRCIADEASFXDT-INIZCTEOSA-N 1 1 300.402 4.268 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccc(C#N)c(F)c1 ZINC000271916536 1039895449 /nfs/dbraw/zinc/89/54/49/1039895449.db2.gz CIWTZKVVWJQUCQ-LLVKDONJSA-N 1 1 317.433 4.302 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000926570519 1039899159 /nfs/dbraw/zinc/89/91/59/1039899159.db2.gz WOOAFZREGYGGGI-QGZVFWFLSA-N 1 1 313.832 4.354 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC000728595331 1040049115 /nfs/dbraw/zinc/04/91/15/1040049115.db2.gz ZVZXKVHBLVVLRK-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179201176 1040057277 /nfs/dbraw/zinc/05/72/77/1040057277.db2.gz GCKRHECRTFBAGC-HNNXBMFYSA-N 1 1 319.408 4.022 20 30 DIEDMO COCc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000179204032 1040068466 /nfs/dbraw/zinc/06/84/66/1040068466.db2.gz CPLMTZFJUKXZJG-UHFFFAOYSA-N 1 1 308.425 4.115 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)ccn1 ZINC000611941639 1040101224 /nfs/dbraw/zinc/10/12/24/1040101224.db2.gz BBFXCJQJUFGGMH-ZEVQVBBLSA-N 1 1 323.465 4.473 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2cc(C)on2)C(C)(C)C)cc1 ZINC000177847774 1040141148 /nfs/dbraw/zinc/14/11/48/1040141148.db2.gz HCGGSUGHLIUDKE-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2cc(C)on2)C(C)(C)C)cc1 ZINC000177847774 1040141164 /nfs/dbraw/zinc/14/11/64/1040141164.db2.gz HCGGSUGHLIUDKE-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000612073321 1040328098 /nfs/dbraw/zinc/32/80/98/1040328098.db2.gz MEOMWFVDBNDEIU-HXUWFJFHSA-N 1 1 320.436 4.488 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(OC(F)F)cc1 ZINC000179613420 1040510535 /nfs/dbraw/zinc/51/05/35/1040510535.db2.gz OZGQOKBRFABDAG-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179656695 1040519223 /nfs/dbraw/zinc/51/92/23/1040519223.db2.gz GBAAGRAORMZIJK-OAHLLOKOSA-N 1 1 319.408 4.022 20 30 DIEDMO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1ccc(C#N)cc1 ZINC000365491207 1040658674 /nfs/dbraw/zinc/65/86/74/1040658674.db2.gz KOAOOGMBOPMIMR-CVEARBPZSA-N 1 1 314.335 4.011 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000177458968 1040673136 /nfs/dbraw/zinc/67/31/36/1040673136.db2.gz IYTKAISYLDFZPE-OALUTQOASA-N 1 1 324.424 4.020 20 30 DIEDMO COc1cccc(/C=C/C(=O)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000177616837 1040726010 /nfs/dbraw/zinc/72/60/10/1040726010.db2.gz JMHSXWFLJSRWDZ-IZZDOVSWSA-N 1 1 318.376 4.085 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378282 1040768948 /nfs/dbraw/zinc/76/89/48/1040768948.db2.gz BPBAYMIXQACQCU-QWHCGFSZSA-N 1 1 303.431 4.147 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)nc1 ZINC000581319219 1040852058 /nfs/dbraw/zinc/85/20/58/1040852058.db2.gz VHIJARDUMRDCPP-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)nc1 ZINC000581319219 1040852077 /nfs/dbraw/zinc/85/20/77/1040852077.db2.gz VHIJARDUMRDCPP-FQEVSTJZSA-N 1 1 317.436 4.461 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000809544551 1041189856 /nfs/dbraw/zinc/18/98/56/1041189856.db2.gz MILPWJNJGRVMIR-SFHVURJKSA-N 1 1 316.404 4.189 20 30 DIEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809639274 1041208950 /nfs/dbraw/zinc/20/89/50/1041208950.db2.gz JCRPVXLSCQLQKR-NHCUHLMSSA-N 1 1 323.411 4.159 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000809757605 1041248195 /nfs/dbraw/zinc/24/81/95/1041248195.db2.gz PZGWHJFFTGTPCE-IBGZPJMESA-N 1 1 307.441 4.125 20 30 DIEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C(C)(C)C ZINC000809782938 1041254422 /nfs/dbraw/zinc/25/44/22/1041254422.db2.gz LVPAOWAVTPORHN-HNNXBMFYSA-N 1 1 302.418 4.087 20 30 DIEDMO C[C@H](Nc1cc(F)c(C[NH+](C)C)c(F)c1)c1cccc(C#N)c1 ZINC001167709499 1041304648 /nfs/dbraw/zinc/30/46/48/1041304648.db2.gz PPVDPQPDEIDFQN-LBPRGKRZSA-N 1 1 315.367 4.071 20 30 DIEDMO N#Cc1cc(Br)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000563734398 1041386455 /nfs/dbraw/zinc/38/64/55/1041386455.db2.gz RQYUBDLNOONAQE-UHFFFAOYSA-N 1 1 319.246 4.228 20 30 DIEDMO CCCCCCCOc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC000236638695 1041398179 /nfs/dbraw/zinc/39/81/79/1041398179.db2.gz KDJFZQXQNXGJPZ-UHFFFAOYSA-N 1 1 318.505 4.220 20 30 DIEDMO C=C(C)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@H]1CC(C)C ZINC001170632275 1041505899 /nfs/dbraw/zinc/50/58/99/1041505899.db2.gz HEBTYSRTVJISKM-LJQANCHMSA-N 1 1 320.908 4.448 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cncc2ccccc21)c1ccc(Cl)cc1 ZINC000811517476 1041529949 /nfs/dbraw/zinc/52/99/49/1041529949.db2.gz UAZDDSYVMQSLSP-IBGZPJMESA-N 1 1 306.796 4.352 20 30 DIEDMO C#CCCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(Cl)cc2)cc1 ZINC000811516595 1041530355 /nfs/dbraw/zinc/53/03/55/1041530355.db2.gz QOFFRDIMISMSLM-FQEVSTJZSA-N 1 1 323.823 4.206 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811506204 1041533160 /nfs/dbraw/zinc/53/31/60/1041533160.db2.gz YKLISCUGADCIAW-UHFFFAOYSA-N 1 1 323.223 4.243 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(F)cc1C#N ZINC001170639542 1041547086 /nfs/dbraw/zinc/54/70/86/1041547086.db2.gz QGKNKXSICKJGJY-QEEYODRMSA-N 1 1 308.400 4.464 20 30 DIEDMO C=CCCCCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309743314 1041590984 /nfs/dbraw/zinc/59/09/84/1041590984.db2.gz WSPRGEJHNJEUQQ-QUCCMNQESA-N 1 1 300.490 4.233 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1Cl ZINC001141114077 1041595067 /nfs/dbraw/zinc/59/50/67/1041595067.db2.gz CYNLLOOIVURTFM-LBPRGKRZSA-N 1 1 323.893 4.258 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc(C)c2ncccc2c1)c1ccc(F)cc1 ZINC000812793039 1041651182 /nfs/dbraw/zinc/65/11/82/1041651182.db2.gz MSKSJSGLTZHRSD-IBGZPJMESA-N 1 1 304.368 4.146 20 30 DIEDMO C=CCCOCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000925632024 1041711638 /nfs/dbraw/zinc/71/16/38/1041711638.db2.gz NOCTZAJEPWHVAU-SFHVURJKSA-N 1 1 316.832 4.007 20 30 DIEDMO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C1CCCCC1 ZINC000759844987 1041773056 /nfs/dbraw/zinc/77/30/56/1041773056.db2.gz NOIHVAGOMYTSGD-UHFFFAOYSA-N 1 1 316.392 4.238 20 30 DIEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000814171450 1041777951 /nfs/dbraw/zinc/77/79/51/1041777951.db2.gz PDTZBBFTHQWKRJ-IBGZPJMESA-N 1 1 311.473 4.047 20 30 DIEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC12CCC2 ZINC000814171451 1041777970 /nfs/dbraw/zinc/77/79/70/1041777970.db2.gz PDTZBBFTHQWKRJ-LJQANCHMSA-N 1 1 311.473 4.047 20 30 DIEDMO CCCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001134279293 1041811955 /nfs/dbraw/zinc/81/19/55/1041811955.db2.gz NJBQIHASZPXEJC-SFHVURJKSA-N 1 1 310.526 4.316 20 30 DIEDMO CC(=[NH+]Nc1cccc(Cl)c1C)c1cc(F)c(N)c(F)c1 ZINC000814802218 1041868471 /nfs/dbraw/zinc/86/84/71/1041868471.db2.gz WUHXDGDXMFAIEL-UHFFFAOYSA-N 1 1 309.747 4.345 20 30 DIEDMO CCC(=[NH+]Nc1cccc(Br)c1)c1cccc(N)c1 ZINC000814786311 1041869641 /nfs/dbraw/zinc/86/96/41/1041869641.db2.gz DMOJFTIBPYUNEV-UHFFFAOYSA-N 1 1 318.218 4.258 20 30 DIEDMO CCC(=[NH+]NCc1ccc(C(F)(F)F)cc1)c1cccc(N)c1 ZINC000814807682 1041872691 /nfs/dbraw/zinc/87/26/91/1041872691.db2.gz GULPOWGAZJNNRA-UHFFFAOYSA-N 1 1 321.346 4.192 20 30 DIEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000815022087 1041904106 /nfs/dbraw/zinc/90/41/06/1041904106.db2.gz XDEGFMJJALUPEC-UHFFFAOYSA-N 1 1 302.296 4.010 20 30 DIEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccc1N(C)C ZINC000815027370 1041907013 /nfs/dbraw/zinc/90/70/13/1041907013.db2.gz CMFGFEQWCKZLBF-UHFFFAOYSA-N 1 1 319.452 4.097 20 30 DIEDMO CC[N@@H+](CCOCCC#N)C(c1ccccc1)c1ccccc1 ZINC000815068748 1041909390 /nfs/dbraw/zinc/90/93/90/1041909390.db2.gz BPJUPDHXAHFQMP-UHFFFAOYSA-N 1 1 308.425 4.028 20 30 DIEDMO C=CC[C@@H]1CC[C@H]([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)C1 ZINC000651821118 1041924601 /nfs/dbraw/zinc/92/46/01/1041924601.db2.gz DEDWIDVSNKAGDO-AEFFLSMTSA-N 1 1 314.477 4.083 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000661381016 1041929449 /nfs/dbraw/zinc/92/94/49/1041929449.db2.gz SXRLDILULXFKRQ-NVXWUHKLSA-N 1 1 311.429 4.010 20 30 DIEDMO CC(C)(C#N)CCCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446072 1041953177 /nfs/dbraw/zinc/95/31/77/1041953177.db2.gz OJOVIHCCPKZVIY-QGZVFWFLSA-N 1 1 320.477 4.047 20 30 DIEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)(C)C ZINC000661754740 1041990875 /nfs/dbraw/zinc/99/08/75/1041990875.db2.gz CQQWMWWFLCKOHT-UHFFFAOYSA-N 1 1 305.809 4.177 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)c(C(F)(F)F)c1 ZINC000567435096 1042000077 /nfs/dbraw/zinc/00/00/77/1042000077.db2.gz ZHUBDADMHAKNNR-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3C2)c(C(F)(F)F)c1 ZINC000567435096 1042000082 /nfs/dbraw/zinc/00/00/82/1042000082.db2.gz ZHUBDADMHAKNNR-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(-c2ccc(C)o2)n1 ZINC000662078590 1042056988 /nfs/dbraw/zinc/05/69/88/1042056988.db2.gz DSYXIHRIQVWFOX-GASCZTMLSA-N 1 1 300.427 4.395 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cccc(Cl)c2)no1 ZINC000662079294 1042058223 /nfs/dbraw/zinc/05/82/23/1042058223.db2.gz MDBKEYXNCGFVHG-GASCZTMLSA-N 1 1 315.804 4.073 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C)cccc1C(C)C ZINC000662082914 1042058648 /nfs/dbraw/zinc/05/86/48/1042058648.db2.gz YKDSKEDZWKPJPD-CALCHBBNSA-N 1 1 312.457 4.240 20 30 DIEDMO Cc1cc(C)c(CNc2cccc(OCCCC#N)c2)c(C)[nH+]1 ZINC000601920538 1042103883 /nfs/dbraw/zinc/10/38/83/1042103883.db2.gz HXXUYFZEVYMMTC-UHFFFAOYSA-N 1 1 309.413 4.302 20 30 DIEDMO CC[NH+](CC)c1ccc(Nc2ccc(OCC#N)cc2)c(C)c1 ZINC001212609545 1042156483 /nfs/dbraw/zinc/15/64/83/1042156483.db2.gz RUNFTDFXGIQNGE-UHFFFAOYSA-N 1 1 309.413 4.487 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170916378 1042159360 /nfs/dbraw/zinc/15/93/60/1042159360.db2.gz CQFXUZXRZRPRQZ-GOSISDBHSA-N 1 1 322.839 4.127 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170935069 1042192782 /nfs/dbraw/zinc/19/27/82/1042192782.db2.gz GKBQEWGQYBJTBF-KRWDZBQOSA-N 1 1 310.828 4.201 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000569943299 1042241883 /nfs/dbraw/zinc/24/18/83/1042241883.db2.gz BNZACEQJOCHIPE-LJQANCHMSA-N 1 1 312.457 4.260 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000822433239 1042285939 /nfs/dbraw/zinc/28/59/39/1042285939.db2.gz LHTNIXSXWNXHSZ-OKZBNKHCSA-N 1 1 308.510 4.116 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000822433229 1042286190 /nfs/dbraw/zinc/28/61/90/1042286190.db2.gz LHTNIXSXWNXHSZ-BZSNNMDCSA-N 1 1 308.510 4.116 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000822525427 1042288897 /nfs/dbraw/zinc/28/88/97/1042288897.db2.gz GQODFAGBKFWFMB-HOTGVXAUSA-N 1 1 319.408 4.042 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822803106 1042300639 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C=CCOc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1Cl ZINC000106249889 1042336547 /nfs/dbraw/zinc/33/65/47/1042336547.db2.gz GLGFQJDMUVJPHG-NSHDSACASA-N 1 1 308.834 4.212 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091452 1042358401 /nfs/dbraw/zinc/35/84/01/1042358401.db2.gz FNPHXYIZYPTBLU-UHFFFAOYSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091452 1042358407 /nfs/dbraw/zinc/35/84/07/1042358407.db2.gz FNPHXYIZYPTBLU-UHFFFAOYSA-N 1 1 320.436 4.488 20 30 DIEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001167903348 1042366763 /nfs/dbraw/zinc/36/67/63/1042366763.db2.gz DOSTWWBEQRGUSF-GOSISDBHSA-N 1 1 300.446 4.228 20 30 DIEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001167903352 1042366772 /nfs/dbraw/zinc/36/67/72/1042366772.db2.gz DOSTWWBEQRGUSF-SFHVURJKSA-N 1 1 300.446 4.228 20 30 DIEDMO C=C(C)CO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001206750141 1042387200 /nfs/dbraw/zinc/38/72/00/1042387200.db2.gz 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DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419280653 1042459883 /nfs/dbraw/zinc/45/98/83/1042459883.db2.gz AGNZYVXIBMJBAS-INIZCTEOSA-N 1 1 306.400 4.302 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000614396079 1042489798 /nfs/dbraw/zinc/48/97/98/1042489798.db2.gz VBHVZBQQAHTGNE-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO COc1ccccc1C[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000614397565 1042491008 /nfs/dbraw/zinc/49/10/08/1042491008.db2.gz FIUXHTBOCZNFLY-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000614402250 1042492115 /nfs/dbraw/zinc/49/21/15/1042492115.db2.gz OHKICWLYEWOUBT-UTKZUKDTSA-N 1 1 320.436 4.137 20 30 DIEDMO CCc1ccc([C@H]2CCC[N@@H+](CCCSCC#N)C2)cc1 ZINC000513392822 1042537121 /nfs/dbraw/zinc/53/71/21/1042537121.db2.gz YHZNCRWLCIUESE-SFHVURJKSA-N 1 1 302.487 4.075 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)CCc1c(F)cccc1F ZINC001307445162 1042573354 /nfs/dbraw/zinc/57/33/54/1042573354.db2.gz VBIPOYWOHXCFEF-UHFFFAOYSA-N 1 1 301.380 4.238 20 30 DIEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3cccc(C4CC4)c3)CCO2)c1 ZINC000421319441 1042630139 /nfs/dbraw/zinc/63/01/39/1042630139.db2.gz MYBBKQLBZZZFDT-NRFANRHFSA-N 1 1 318.420 4.009 20 30 DIEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3cccc(C4CC4)c3)CCO2)c1 ZINC000421319441 1042630140 /nfs/dbraw/zinc/63/01/40/1042630140.db2.gz MYBBKQLBZZZFDT-NRFANRHFSA-N 1 1 318.420 4.009 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000421343117 1042630976 /nfs/dbraw/zinc/63/09/76/1042630976.db2.gz PNRXNQRICXWAIM-OAHLLOKOSA-N 1 1 303.837 4.179 20 30 DIEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1ccsc1 ZINC000421368037 1042632364 /nfs/dbraw/zinc/63/23/64/1042632364.db2.gz FSBHCOKOGJOELV-AWEZNQCLSA-N 1 1 324.453 4.239 20 30 DIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000423244282 1042701797 /nfs/dbraw/zinc/70/17/97/1042701797.db2.gz NSNFXJXNRYFZBL-FOIQADDNSA-N 1 1 307.441 4.032 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cncn1C(C)C)c1ccc(F)c(F)c1 ZINC000424167538 1042728691 /nfs/dbraw/zinc/72/86/91/1042728691.db2.gz HRQPYPHCXLHWKH-KRWDZBQOSA-N 1 1 305.372 4.149 20 30 DIEDMO C=CCn1cc(C[NH2+][C@@H](CCCC(C)C)c2ccccc2)nn1 ZINC000424291569 1042731633 /nfs/dbraw/zinc/73/16/33/1042731633.db2.gz DSEKZCMPTLRLST-IBGZPJMESA-N 1 1 312.461 4.121 20 30 DIEDMO CO[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000513969740 1042765430 /nfs/dbraw/zinc/76/54/30/1042765430.db2.gz CAILUXGAFVORNA-SFHVURJKSA-N 1 1 314.816 4.031 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000425532659 1042837226 /nfs/dbraw/zinc/83/72/26/1042837226.db2.gz JLSBZEVTSAHVOR-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000425533835 1042837326 /nfs/dbraw/zinc/83/73/26/1042837326.db2.gz LJOPONDZDQCRNA-OAHLLOKOSA-N 1 1 324.399 4.353 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCC(=O)OC(C)(C)C ZINC000425529591 1042837534 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N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2ccccc2Cl)CC1 ZINC000879547658 1043971241 /nfs/dbraw/zinc/97/12/41/1043971241.db2.gz BFRKEVDLHDBLEP-INIZCTEOSA-N 1 1 315.848 4.038 20 30 DIEDMO N#CC1(c2ccccc2)CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896638507 1043973939 /nfs/dbraw/zinc/97/39/39/1043973939.db2.gz VLKSURSGRCROAU-UHFFFAOYSA-N 1 1 324.399 4.025 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000474924293 1043985537 /nfs/dbraw/zinc/98/55/37/1043985537.db2.gz BJXPMNPYJMHLQI-UHFFFAOYSA-N 1 1 308.141 4.086 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C[C@H](C)C(C)(C)C)c1ccccc1 ZINC000880075759 1044009660 /nfs/dbraw/zinc/00/96/60/1044009660.db2.gz GWCJENJJNUVJKI-OXJNMPFZSA-N 1 1 314.473 4.041 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931367878 1044018871 /nfs/dbraw/zinc/01/88/71/1044018871.db2.gz IPOBEZZBQARGNF-HNNXBMFYSA-N 1 1 310.445 4.072 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccccc1 ZINC000880387806 1044038059 /nfs/dbraw/zinc/03/80/59/1044038059.db2.gz DUOKYSQQYWWXDA-HNNXBMFYSA-N 1 1 303.837 4.261 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000931538805 1044040735 /nfs/dbraw/zinc/04/07/35/1044040735.db2.gz VJJJWGFXNDWMPX-GOSISDBHSA-N 1 1 318.848 4.135 20 30 DIEDMO CCC[N@@H+](CCCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000475044478 1044074219 /nfs/dbraw/zinc/07/42/19/1044074219.db2.gz BIRLMLQAMPJBHZ-UHFFFAOYSA-N 1 1 302.462 4.366 20 30 DIEDMO CC(C)[N@@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC000562516123 1044124653 /nfs/dbraw/zinc/12/46/53/1044124653.db2.gz DJCGTVQUWYEROJ-UHFFFAOYSA-N 1 1 305.381 4.110 20 30 DIEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cc(F)ccc1OC ZINC000932474573 1044133404 /nfs/dbraw/zinc/13/34/04/1044133404.db2.gz FXJUNXBXBYXTNV-QGZVFWFLSA-N 1 1 316.351 4.086 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000130244584 1044196400 /nfs/dbraw/zinc/19/64/00/1044196400.db2.gz DKNGSIJXWGCYLH-AWEZNQCLSA-N 1 1 312.438 4.204 20 30 DIEDMO N#Cc1ccc(C2CC[NH+](Cc3scnc3Cl)CC2)cc1 ZINC000933607888 1044201088 /nfs/dbraw/zinc/20/10/88/1044201088.db2.gz TYFYKLCVORDPJR-UHFFFAOYSA-N 1 1 317.845 4.048 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933714776 1044207620 /nfs/dbraw/zinc/20/76/20/1044207620.db2.gz JAGWGXJBXNAOKB-ZDUSSCGKSA-N 1 1 313.367 4.031 20 30 DIEDMO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cc1 ZINC000130801419 1044215396 /nfs/dbraw/zinc/21/53/96/1044215396.db2.gz HNBNDBPPUZELIE-IRXDYDNUSA-N 1 1 308.425 4.479 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccc(F)c(F)c1 ZINC000359968294 1044222192 /nfs/dbraw/zinc/22/21/92/1044222192.db2.gz AZOIPBXLNPKQEH-KPZWWZAWSA-N 1 1 317.383 4.340 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+]Cc1cc(C#N)ccc1F)C(C)(C)C ZINC000934294462 1044235340 /nfs/dbraw/zinc/23/53/40/1044235340.db2.gz RDQSSLDFKRPIIV-SFHVURJKSA-N 1 1 311.404 4.278 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468828 1044252356 /nfs/dbraw/zinc/25/23/56/1044252356.db2.gz KODHVXHKEGYTHA-JTQLQIEISA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000934468828 1044252370 /nfs/dbraw/zinc/25/23/70/1044252370.db2.gz KODHVXHKEGYTHA-JTQLQIEISA-N 1 1 324.211 4.194 20 30 DIEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468708 1044253340 /nfs/dbraw/zinc/25/33/40/1044253340.db2.gz HLCDZSHQQVCPKH-DOMZBBRYSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000934468708 1044253352 /nfs/dbraw/zinc/25/33/52/1044253352.db2.gz HLCDZSHQQVCPKH-DOMZBBRYSA-N 1 1 317.820 4.025 20 30 DIEDMO C=CCCC[N@H+](CC)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000934648270 1044266062 /nfs/dbraw/zinc/26/60/62/1044266062.db2.gz MSNCNGNYIPJKJK-LBPRGKRZSA-N 1 1 319.474 4.363 20 30 DIEDMO N#Cc1ccccc1OCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000523008137 1044305181 /nfs/dbraw/zinc/30/51/81/1044305181.db2.gz HYXHAAKXLUMTBF-KRWDZBQOSA-N 1 1 310.397 4.147 20 30 DIEDMO CCc1nc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cs1 ZINC000360840049 1044317315 /nfs/dbraw/zinc/31/73/15/1044317315.db2.gz KSZLQHQWOUMOLJ-KRWDZBQOSA-N 1 1 311.454 4.134 20 30 DIEDMO C=CCC[N@H+](Cc1cnc2cccc(C)n12)Cc1ccccc1 ZINC001137196401 1044334140 /nfs/dbraw/zinc/33/41/40/1044334140.db2.gz CVALJLNZSIQZNE-UHFFFAOYSA-N 1 1 305.425 4.221 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000475286601 1044347503 /nfs/dbraw/zinc/34/75/03/1044347503.db2.gz RCEVOCVMTOFKJA-UHFFFAOYSA-N 1 1 321.468 4.260 20 30 DIEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935623677 1044352089 /nfs/dbraw/zinc/35/20/89/1044352089.db2.gz GEUDWVDSDICFJF-IBGZPJMESA-N 1 1 316.489 4.128 20 30 DIEDMO C[C@@H]([NH2+][C@H]1CCOc2c(F)ccc(F)c21)c1ccc(C#N)cc1 ZINC000361181916 1044370035 /nfs/dbraw/zinc/37/00/35/1044370035.db2.gz SQFWNAPPTCQQRV-BZNIZROVSA-N 1 1 314.335 4.011 20 30 DIEDMO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000361552271 1044416542 /nfs/dbraw/zinc/41/65/42/1044416542.db2.gz KJPFAMALMIQZIQ-KDOFPFPSSA-N 1 1 311.429 4.025 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000121349663 1044439270 /nfs/dbraw/zinc/43/92/70/1044439270.db2.gz JUVZQAMXGPYIOE-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000121349663 1044439280 /nfs/dbraw/zinc/43/92/80/1044439280.db2.gz JUVZQAMXGPYIOE-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO Cc1ccccc1Oc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000565673042 1044450015 /nfs/dbraw/zinc/45/00/15/1044450015.db2.gz CVAYQDGEDLKION-KRWDZBQOSA-N 1 1 319.408 4.320 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)c1 ZINC000566077693 1044474812 /nfs/dbraw/zinc/47/48/12/1044474812.db2.gz SUVCNQSXFGUNMM-SFHVURJKSA-N 1 1 314.473 4.422 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000609916565 1044479640 /nfs/dbraw/zinc/47/96/40/1044479640.db2.gz XWSCKIZRIKOGBQ-CXAGYDPISA-N 1 1 312.363 4.214 20 30 DIEDMO CCC[N@H+]1Cc2cccc(N[C@@H](C)c3ccc(C#N)cc3)c2C1 ZINC000118443314 1044484226 /nfs/dbraw/zinc/48/42/26/1044484226.db2.gz YJLGDIGVFRCXFF-HNNXBMFYSA-N 1 1 305.425 4.457 20 30 DIEDMO Cc1cc2ccc(Cl)cc2nc1N=NC1CC[N@@H+](C)[C@@H](C)C1 ZINC000778552035 1044514528 /nfs/dbraw/zinc/51/45/28/1044514528.db2.gz QVQFRHPUJHWRFZ-LBPRGKRZSA-N 1 1 316.836 4.079 20 30 DIEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000348330853 1044546735 /nfs/dbraw/zinc/54/67/35/1044546735.db2.gz YPZCDOBMHKCVFC-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000362960353 1044569540 /nfs/dbraw/zinc/56/95/40/1044569540.db2.gz MLKYOZGHZHVVBJ-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000567624405 1044578017 /nfs/dbraw/zinc/57/80/17/1044578017.db2.gz OACHTBZCOXQQSR-GOSISDBHSA-N 1 1 313.832 4.436 20 30 DIEDMO CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000567624405 1044578035 /nfs/dbraw/zinc/57/80/35/1044578035.db2.gz OACHTBZCOXQQSR-GOSISDBHSA-N 1 1 313.832 4.436 20 30 DIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444630368 1044579421 /nfs/dbraw/zinc/57/94/21/1044579421.db2.gz ZRGQPUHWMHGZMQ-GOSISDBHSA-N 1 1 314.473 4.422 20 30 DIEDMO C[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCC1 ZINC000444642663 1044590475 /nfs/dbraw/zinc/59/04/75/1044590475.db2.gz RTFJTLZTHXIJNN-UHFFFAOYSA-N 1 1 304.437 4.371 20 30 DIEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCCC[C@@H]1C ZINC000444673711 1044597701 /nfs/dbraw/zinc/59/77/01/1044597701.db2.gz ITNKBLVSOPQTDN-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO COc1cc(C)cc(C[NH2+][C@H](CCC#N)c2ccccc2)c1OC ZINC000886041070 1044602762 /nfs/dbraw/zinc/60/27/62/1044602762.db2.gz JZSHVOIDSYBUPR-GOSISDBHSA-N 1 1 324.424 4.147 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000444690491 1044603188 /nfs/dbraw/zinc/60/31/88/1044603188.db2.gz SVZFKHIMHZLVQY-AWEZNQCLSA-N 1 1 306.400 4.474 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2noc(-c3ccsc3)n2)CCCC1(C)C ZINC000444777883 1044628660 /nfs/dbraw/zinc/62/86/60/1044628660.db2.gz HHEOGYQVORTUKK-CQSZACIVSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2noc(-c3ccsc3)n2)CCCC1(C)C ZINC000444777883 1044628666 /nfs/dbraw/zinc/62/86/66/1044628666.db2.gz HHEOGYQVORTUKK-CQSZACIVSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@H]2CCc3ccccc32)c1O ZINC000218803579 1044629481 /nfs/dbraw/zinc/62/94/81/1044629481.db2.gz LKHQEXYHENPRGI-FQEVSTJZSA-N 1 1 323.436 4.249 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000523553086 1044658583 /nfs/dbraw/zinc/65/85/83/1044658583.db2.gz LNIHTEZWSLPGOO-UHFFFAOYSA-N 1 1 302.462 4.106 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000072517841 1044672875 /nfs/dbraw/zinc/67/28/75/1044672875.db2.gz MQMDKJJYHGJYKY-GOSISDBHSA-N 1 1 313.470 4.342 20 30 DIEDMO N#CCCC[N@@H+]1CCCC[C@H]1Cc1ccccc1Br ZINC000569145011 1044677565 /nfs/dbraw/zinc/67/75/65/1044677565.db2.gz KAFLEUGZUOHDPL-HNNXBMFYSA-N 1 1 321.262 4.150 20 30 DIEDMO Cc1csc(C[C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000886694425 1044683788 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C=C(C)C[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000078709248 1044712652 /nfs/dbraw/zinc/71/26/52/1044712652.db2.gz XRGZOFFIUYQAPL-UHFFFAOYSA-N 1 1 305.809 4.178 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000524043271 1044718547 /nfs/dbraw/zinc/71/85/47/1044718547.db2.gz CUGILJFQFLTGBQ-LJQANCHMSA-N 1 1 308.400 4.295 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173814 1044738000 /nfs/dbraw/zinc/73/80/00/1044738000.db2.gz PIDCREFGVMULIR-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000570173814 1044738015 /nfs/dbraw/zinc/73/80/15/1044738015.db2.gz PIDCREFGVMULIR-KBXCAEBGSA-N 1 1 309.413 4.082 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)cc1OC ZINC000124690255 1044794764 /nfs/dbraw/zinc/79/47/64/1044794764.db2.gz QMDCWTNDSKWBTH-INIZCTEOSA-N 1 1 316.445 4.171 20 30 DIEDMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CCC#N)CC1 ZINC000572637166 1044867177 /nfs/dbraw/zinc/86/71/77/1044867177.db2.gz 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CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000412066499 1045054337 /nfs/dbraw/zinc/05/43/37/1045054337.db2.gz LMFATSWYQGTLPJ-MRXNPFEDSA-N 1 1 322.493 4.150 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573628 1045071760 /nfs/dbraw/zinc/07/17/60/1045071760.db2.gz VJERQKCKLULSCR-CYBMUJFWSA-N 1 1 302.384 4.371 20 30 DIEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000576790512 1045080039 /nfs/dbraw/zinc/08/00/39/1045080039.db2.gz XVVPVAOUKPCVRS-KBXCAEBGSA-N 1 1 310.397 4.133 20 30 DIEDMO CC[N@H+](CCOc1ccc(Oc2ccccc2)cc1)C[C@@H](C)C#N ZINC000525633784 1045101888 /nfs/dbraw/zinc/10/18/88/1045101888.db2.gz XCBSJOYQAPPOHL-KRWDZBQOSA-N 1 1 324.424 4.339 20 30 DIEDMO CC[N@@H+](CCOc1ccc(Oc2ccccc2)cc1)C[C@@H](C)C#N ZINC000525633784 1045101893 /nfs/dbraw/zinc/10/18/93/1045101893.db2.gz XCBSJOYQAPPOHL-KRWDZBQOSA-N 1 1 324.424 4.339 20 30 DIEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCC(C)(C)C#N)nc2c1 ZINC000577272488 1045112820 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N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CCCCC2)nc1 ZINC000577932982 1045190110 /nfs/dbraw/zinc/19/01/10/1045190110.db2.gz BYRGCCYUXAXOAU-UHFFFAOYSA-N 1 1 305.425 4.288 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)cc1 ZINC000578170142 1045217533 /nfs/dbraw/zinc/21/75/33/1045217533.db2.gz RNRGUVGDQSSQCV-SQZREULQSA-N 1 1 302.421 4.430 20 30 DIEDMO C=CC[C@@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1ccncc1 ZINC000925073862 1045224045 /nfs/dbraw/zinc/22/40/45/1045224045.db2.gz FMSIERLMQGOUKU-SJORKVTESA-N 1 1 314.816 4.213 20 30 DIEDMO C=CC[C@@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)c1ccncc1 ZINC000925073859 1045224104 /nfs/dbraw/zinc/22/41/04/1045224104.db2.gz FMSIERLMQGOUKU-IAGOWNOFSA-N 1 1 314.816 4.213 20 30 DIEDMO Cc1cccc(-c2cccc(C[NH2+]Cc3nc(C#N)cs3)c2)c1 ZINC000578404485 1045240210 /nfs/dbraw/zinc/24/02/10/1045240210.db2.gz WCZUCWSANMDZBP-UHFFFAOYSA-N 1 1 319.433 4.280 20 30 DIEDMO C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000578824577 1045275263 /nfs/dbraw/zinc/27/52/63/1045275263.db2.gz 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/nfs/dbraw/zinc/22/48/79/1046224879.db2.gz GXICTWDJUAQOJU-UHFFFAOYSA-N 1 1 305.421 4.253 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000756996821 1046230000 /nfs/dbraw/zinc/23/00/00/1046230000.db2.gz RZLXWGYHNVTOPJ-KRWDZBQOSA-N 1 1 314.772 4.102 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245501464 1046237357 /nfs/dbraw/zinc/23/73/57/1046237357.db2.gz CUPVYCVUQOETOP-HZPDHXFCSA-N 1 1 324.424 4.179 20 30 DIEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245503529 1046238208 /nfs/dbraw/zinc/23/82/08/1046238208.db2.gz IHAMHONTJXTJRP-LSDHHAIUSA-N 1 1 312.388 4.310 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138616504 1046243712 /nfs/dbraw/zinc/24/37/12/1046243712.db2.gz XZLLDUISKVJKLR-UHFFFAOYSA-N 1 1 308.425 4.488 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138616504 1046243725 /nfs/dbraw/zinc/24/37/25/1046243725.db2.gz XZLLDUISKVJKLR-UHFFFAOYSA-N 1 1 308.425 4.488 20 30 DIEDMO CC(=[NH+]Nc1ccc(Br)cc1)c1ccc(N)cc1C ZINC000758097698 1046245702 /nfs/dbraw/zinc/24/57/02/1046245702.db2.gz HCCYZUGUGSQCKQ-UHFFFAOYSA-N 1 1 318.218 4.176 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1O ZINC001138629020 1046245793 /nfs/dbraw/zinc/24/57/93/1046245793.db2.gz LIFHHJPBNUANMI-SFHVURJKSA-N 1 1 307.437 4.185 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)c1O ZINC001138627661 1046245839 /nfs/dbraw/zinc/24/58/39/1046245839.db2.gz DSLPKNPVJIEWCS-FQEVSTJZSA-N 1 1 323.436 4.466 20 30 DIEDMO Cc1ccc2c(C)cc(N=NC3CCC[N@H+](C)CC3)nc2c1C ZINC000758099998 1046246606 /nfs/dbraw/zinc/24/66/06/1046246606.db2.gz QFCCTUUXZMQNDZ-UHFFFAOYSA-N 1 1 310.445 4.044 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)c1O ZINC001138629320 1046247388 /nfs/dbraw/zinc/24/73/88/1046247388.db2.gz UTCMSASNWGQTBI-FQEVSTJZSA-N 1 1 323.436 4.466 20 30 DIEDMO C=CCc1cccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c1O ZINC001138629478 1046247601 /nfs/dbraw/zinc/24/76/01/1046247601.db2.gz ABCKWARNMORSBT-UHFFFAOYSA-N 1 1 303.421 4.225 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)c1O ZINC001138629321 1046247855 /nfs/dbraw/zinc/24/78/55/1046247855.db2.gz UTCMSASNWGQTBI-HXUWFJFHSA-N 1 1 323.436 4.466 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)c1O ZINC001138628992 1046247983 /nfs/dbraw/zinc/24/79/83/1046247983.db2.gz KHBADBSZLFLIQL-IBGZPJMESA-N 1 1 323.436 4.466 20 30 DIEDMO C=CCc1cccc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)c1O ZINC001138627731 1046248060 /nfs/dbraw/zinc/24/80/60/1046248060.db2.gz FBTVOTWFGFWWLF-OAHLLOKOSA-N 1 1 311.425 4.322 20 30 DIEDMO Fc1ccc(CO[NH+]=Cc2ccccc2N2CCCCC2)cc1 ZINC000758143417 1046251837 /nfs/dbraw/zinc/25/18/37/1046251837.db2.gz QRGCMIZBAKBBIK-UHFFFAOYSA-N 1 1 312.388 4.367 20 30 DIEDMO C[N@H+](Cc1c(Cl)[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC001138687767 1046269521 /nfs/dbraw/zinc/26/95/21/1046269521.db2.gz XRELNXZWKSFUBY-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C[N@@H+](Cc1c(Cl)[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC001138687767 1046269528 /nfs/dbraw/zinc/26/95/28/1046269528.db2.gz XRELNXZWKSFUBY-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1C ZINC001138728755 1046280816 /nfs/dbraw/zinc/28/08/16/1046280816.db2.gz LIVOSGJHDKUDDR-UHFFFAOYSA-N 1 1 308.425 4.124 20 30 DIEDMO C[C@H](Nc1cccc2cc[nH+]cc21)c1ccc(OCC#N)cc1 ZINC000321479611 1046295689 /nfs/dbraw/zinc/29/56/89/1046295689.db2.gz VFHDMAROOJRVAJ-AWEZNQCLSA-N 1 1 303.365 4.310 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000246065804 1046298456 /nfs/dbraw/zinc/29/84/56/1046298456.db2.gz ROSHNAIGPSNKAY-NHCUHLMSSA-N 1 1 320.436 4.046 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cc1c2cc[nH]c2ncc1Cl ZINC001138952544 1046336835 /nfs/dbraw/zinc/33/68/35/1046336835.db2.gz SOYVPFWGNSDAAN-UHFFFAOYSA-N 1 1 311.816 4.356 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c2cc[nH]c2ncc1Cl ZINC001138952544 1046336851 /nfs/dbraw/zinc/33/68/51/1046336851.db2.gz SOYVPFWGNSDAAN-UHFFFAOYSA-N 1 1 311.816 4.356 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001138958694 1046341839 /nfs/dbraw/zinc/34/18/39/1046341839.db2.gz GIMYXPMEXHTCAT-CQSZACIVSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001138958694 1046341847 /nfs/dbraw/zinc/34/18/47/1046341847.db2.gz GIMYXPMEXHTCAT-CQSZACIVSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001138968037 1046344710 /nfs/dbraw/zinc/34/47/10/1046344710.db2.gz HMISKKPQDICIJA-UHFFFAOYSA-N 1 1 320.436 4.151 20 30 DIEDMO CC(C)COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001138968037 1046344717 /nfs/dbraw/zinc/34/47/17/1046344717.db2.gz HMISKKPQDICIJA-UHFFFAOYSA-N 1 1 320.436 4.151 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC001139033189 1046363927 /nfs/dbraw/zinc/36/39/27/1046363927.db2.gz BFNLGBBLFVRBLN-UHFFFAOYSA-N 1 1 306.203 4.327 20 30 DIEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001139029898 1046364323 /nfs/dbraw/zinc/36/43/23/1046364323.db2.gz VEPQPAVNVNWYQN-QGZVFWFLSA-N 1 1 308.425 4.026 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC001139030737 1046364596 /nfs/dbraw/zinc/36/45/96/1046364596.db2.gz SOHGMCCHHHIYOK-MRXNPFEDSA-N 1 1 311.425 4.453 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc2nsnc2c1 ZINC001139213489 1046414490 /nfs/dbraw/zinc/41/44/90/1046414490.db2.gz ZXBDXFNXGFVVOM-UHFFFAOYSA-N 1 1 309.438 4.270 20 30 DIEDMO C=CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000639610048 1046416226 /nfs/dbraw/zinc/41/62/26/1046416226.db2.gz VXJVCJKKRJBLOG-AWEZNQCLSA-N 1 1 307.397 4.459 20 30 DIEDMO C=CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc3ccccc3c2)o1 ZINC000639610049 1046416549 /nfs/dbraw/zinc/41/65/49/1046416549.db2.gz VXJVCJKKRJBLOG-CQSZACIVSA-N 1 1 307.397 4.459 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(N2CCCCC2)nc1)C1CCCCC1 ZINC001139346092 1046434617 /nfs/dbraw/zinc/43/46/17/1046434617.db2.gz FNKGICXBJRBDCA-UHFFFAOYSA-N 1 1 313.489 4.393 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000639889783 1046435355 /nfs/dbraw/zinc/43/53/55/1046435355.db2.gz JBGPEGMYXXLCKZ-OAHLLOKOSA-N 1 1 319.408 4.288 20 30 DIEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400450 1046444052 /nfs/dbraw/zinc/44/40/52/1046444052.db2.gz SPMCDIXALIMJDQ-IYBDPMFKSA-N 1 1 305.425 4.383 20 30 DIEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400526 1046444079 /nfs/dbraw/zinc/44/40/79/1046444079.db2.gz VLKVNGIXZDGFLD-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO C[C@H]1C[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@@H]1C ZINC001139402532 1046444170 /nfs/dbraw/zinc/44/41/70/1046444170.db2.gz TYHFODVDAJRKBN-IRXDYDNUSA-N 1 1 319.452 4.488 20 30 DIEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425307 1046449166 /nfs/dbraw/zinc/44/91/66/1046449166.db2.gz IYFRADWXLYWONS-JKSUJKDBSA-N 1 1 321.424 4.366 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139424293 1046449536 /nfs/dbraw/zinc/44/95/36/1046449536.db2.gz OVLUMKPVFZZCJN-HNNXBMFYSA-N 1 1 307.397 4.120 20 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/nfs/dbraw/zinc/50/14/97/1046501497.db2.gz HPPZJOVZDIKHGZ-SFHVURJKSA-N 1 1 315.420 4.419 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1C#N ZINC001139729129 1046505676 /nfs/dbraw/zinc/50/56/76/1046505676.db2.gz PRCBKSXGYCPIAL-HXUWFJFHSA-N 1 1 308.400 4.213 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2cccc3cccnc32)cc1C#N ZINC001139726324 1046506483 /nfs/dbraw/zinc/50/64/83/1046506483.db2.gz IJLGDPRWYZMCLX-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2C)cc1Cl ZINC000782231733 1046508600 /nfs/dbraw/zinc/50/86/00/1046508600.db2.gz XIGTXSMCXCDNAZ-UHFFFAOYSA-N 1 1 303.793 4.075 20 30 DIEDMO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)cc(C#N)c1 ZINC001139875405 1046539200 /nfs/dbraw/zinc/53/92/00/1046539200.db2.gz LSJOUXCMOCPGFP-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875132 1046540094 /nfs/dbraw/zinc/54/00/94/1046540094.db2.gz HSAGIXJJWFEYMD-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875132 1046540102 /nfs/dbraw/zinc/54/01/02/1046540102.db2.gz HSAGIXJJWFEYMD-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(F)cc(C#N)c2)c1 ZINC001139876458 1046540238 /nfs/dbraw/zinc/54/02/38/1046540238.db2.gz YYFUZHNSIQSQCO-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cn1)CCCO2 ZINC000783294872 1046575876 /nfs/dbraw/zinc/57/58/76/1046575876.db2.gz XNKGTSYHNAMGKM-LJQANCHMSA-N 1 1 321.424 4.080 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc2cc(Cl)ccc2o1 ZINC000783299570 1046576138 /nfs/dbraw/zinc/57/61/38/1046576138.db2.gz DUVSOFNQBHGCRZ-NSHDSACASA-N 1 1 311.772 4.204 20 30 DIEDMO C=CCC[N@H+](Cc1[nH]nc2ccc(OC)cc21)Cc1ccccc1 ZINC001140068199 1046581259 /nfs/dbraw/zinc/58/12/59/1046581259.db2.gz AZAMRAKKBXTCEX-UHFFFAOYSA-N 1 1 321.424 4.150 20 30 DIEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H](c4ccccc4)C3)c2c1 ZINC001140109950 1046591441 /nfs/dbraw/zinc/59/14/41/1046591441.db2.gz BQMDJVQLOVYFIK-QGZVFWFLSA-N 1 1 301.393 4.029 20 30 DIEDMO Cc1ccc(CC[N@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cc1 ZINC001140115222 1046594349 /nfs/dbraw/zinc/59/43/49/1046594349.db2.gz QYXWUVZDAQPFTK-UHFFFAOYSA-N 1 1 303.409 4.023 20 30 DIEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000678239245 1046599549 /nfs/dbraw/zinc/59/95/49/1046599549.db2.gz XKDGCNSLENLSSB-OAQYLSRUSA-N 1 1 323.436 4.215 20 30 DIEDMO C#CC[N@H+](Cc1ccc(C)c(OC)c1)[C@@H]1CCc2ccccc21 ZINC001140159745 1046603766 /nfs/dbraw/zinc/60/37/66/1046603766.db2.gz WILISRQBGGSUHN-HXUWFJFHSA-N 1 1 305.421 4.126 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Br)c1OC)C(C)(C)C ZINC001140156248 1046604594 /nfs/dbraw/zinc/60/45/94/1046604594.db2.gz RJUUPSCYDCGSFA-UHFFFAOYSA-N 1 1 312.251 4.244 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(C(F)(F)F)ccc1C#N ZINC001206742622 1046615826 /nfs/dbraw/zinc/61/58/26/1046615826.db2.gz GMCZBWLJAVSGIT-UHFFFAOYSA-N 1 1 320.318 4.090 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)c(F)c1)C(C)(C)C ZINC001140214656 1046617765 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C[C@H](C#N)C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000533138505 1046659062 /nfs/dbraw/zinc/65/90/62/1046659062.db2.gz IVMVHPJMCHJZPR-MRXNPFEDSA-N 1 1 315.420 4.349 20 30 DIEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC1 ZINC000533138505 1046659068 /nfs/dbraw/zinc/65/90/68/1046659068.db2.gz IVMVHPJMCHJZPR-MRXNPFEDSA-N 1 1 315.420 4.349 20 30 DIEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC000784159436 1046669115 /nfs/dbraw/zinc/66/91/15/1046669115.db2.gz PIQUZNMYVCCATO-LLGFUMIMSA-N 1 1 320.436 4.103 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccccn2)cc1 ZINC001140381256 1046680863 /nfs/dbraw/zinc/68/08/63/1046680863.db2.gz SKSOORPCPLZTBU-LUPIEILUSA-N 1 1 303.409 4.015 20 30 DIEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000533299132 1046692420 /nfs/dbraw/zinc/69/24/20/1046692420.db2.gz CIFKNNLHTSFYII-HOTGVXAUSA-N 1 1 302.462 4.425 20 30 DIEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000841762496 1046697124 /nfs/dbraw/zinc/69/71/24/1046697124.db2.gz PHYZLHPAVZDPLF-KPZWWZAWSA-N 1 1 310.372 4.131 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC#Cc2cccc(Cl)c2)n1 ZINC000533346578 1046699333 /nfs/dbraw/zinc/69/93/33/1046699333.db2.gz QFKPILSWWQZPSV-LJQANCHMSA-N 1 1 310.828 4.232 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)n1 ZINC000533346578 1046699346 /nfs/dbraw/zinc/69/93/46/1046699346.db2.gz QFKPILSWWQZPSV-LJQANCHMSA-N 1 1 310.828 4.232 20 30 DIEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000533342258 1046701537 /nfs/dbraw/zinc/70/15/37/1046701537.db2.gz QDWJCVXWJPFLGP-UHFFFAOYSA-N 1 1 308.425 4.082 20 30 DIEDMO Cc1noc(C)c1[C@H](C)[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000678804744 1046703938 /nfs/dbraw/zinc/70/39/38/1046703938.db2.gz FIQRAGNVSYRCGP-NSHDSACASA-N 1 1 322.330 4.013 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000533459600 1046730436 /nfs/dbraw/zinc/73/04/36/1046730436.db2.gz DJKSLEKTHXRBAQ-UHFFFAOYSA-N 1 1 310.397 4.105 20 30 DIEDMO C=CC[C@H]([NH2+][C@H](CC)c1ccc(F)cc1O)c1ccncc1 ZINC000796772215 1046731133 /nfs/dbraw/zinc/73/11/33/1046731133.db2.gz PKYSIVJTQHZEEI-SJORKVTESA-N 1 1 300.377 4.284 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-c1nccs1 ZINC001140453903 1046731494 /nfs/dbraw/zinc/73/14/94/1046731494.db2.gz QRWHPMJRCPOZFI-MKZZRHPPSA-N 1 1 309.438 4.077 20 30 DIEDMO C#CC1CC[NH+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001140569107 1046787816 /nfs/dbraw/zinc/78/78/16/1046787816.db2.gz YUEZDCZGWCFHMI-UHFFFAOYSA-N 1 1 301.739 4.204 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000248427424 1046843725 /nfs/dbraw/zinc/84/37/25/1046843725.db2.gz NFTPRZVHXZUZEV-OXQOHEQNSA-N 1 1 305.425 4.000 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)nc(Cl)c1 ZINC000797590190 1046857366 /nfs/dbraw/zinc/85/73/66/1046857366.db2.gz NFEFJWVXLCKSID-UHFFFAOYSA-N 1 1 311.816 4.103 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)nc(Cl)c1 ZINC000797590190 1046857379 /nfs/dbraw/zinc/85/73/79/1046857379.db2.gz 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Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2Cl)cn1 ZINC001140812925 1046910753 /nfs/dbraw/zinc/91/07/53/1046910753.db2.gz OJFYYMOCRQKCGH-KRWDZBQOSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2Cl)cn1 ZINC001140812926 1046912088 /nfs/dbraw/zinc/91/20/88/1046912088.db2.gz OJFYYMOCRQKCGH-QGZVFWFLSA-N 1 1 311.816 4.252 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2Cl)cn1 ZINC001140812926 1046912096 /nfs/dbraw/zinc/91/20/96/1046912096.db2.gz OJFYYMOCRQKCGH-QGZVFWFLSA-N 1 1 311.816 4.252 20 30 DIEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cccc(C#N)c1Cl ZINC001140814302 1046913843 /nfs/dbraw/zinc/91/38/43/1046913843.db2.gz GYKCWBBCHQMFFW-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C[C@@H](CC#N)[N@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000161741002 1046914405 /nfs/dbraw/zinc/91/44/05/1046914405.db2.gz GGBGCASRBSCQJI-KRWDZBQOSA-N 1 1 308.425 4.027 20 30 DIEDMO C[C@@H](CC#N)[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000161741002 1046914415 /nfs/dbraw/zinc/91/44/15/1046914415.db2.gz GGBGCASRBSCQJI-KRWDZBQOSA-N 1 1 308.425 4.027 20 30 DIEDMO C[C@@H]1SCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000303681116 1046948190 /nfs/dbraw/zinc/94/81/90/1046948190.db2.gz JAURUKAKCJGZDZ-KXBFYZLASA-N 1 1 308.450 4.237 20 30 DIEDMO C=C(Cl)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000303843905 1046996257 /nfs/dbraw/zinc/99/62/57/1046996257.db2.gz JKGDCNGGIWFMJW-UHFFFAOYSA-N 1 1 314.654 4.165 20 30 DIEDMO C=C(Cl)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000303843905 1046996271 /nfs/dbraw/zinc/99/62/71/1046996271.db2.gz JKGDCNGGIWFMJW-UHFFFAOYSA-N 1 1 314.654 4.165 20 30 DIEDMO CCC[N@@H+](CCCc1cccc(OC)c1)Cc1ccc(C#N)cc1 ZINC000303957073 1047006385 /nfs/dbraw/zinc/00/63/85/1047006385.db2.gz XTVMMPSIZZCUSM-UHFFFAOYSA-N 1 1 322.452 4.412 20 30 DIEDMO COc1cc(C[NH2+][C@@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000799336476 1047018804 /nfs/dbraw/zinc/01/88/04/1047018804.db2.gz NEZCSNAEWYLSPM-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO COc1cc(C[NH2+][C@H](C)c2nc3ccccc3s2)ccc1C#N ZINC000799336473 1047019293 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COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000536664067 1047057005 /nfs/dbraw/zinc/05/70/05/1047057005.db2.gz DBQLCWIQWKQBGO-VQTJNVASSA-N 1 1 320.436 4.275 20 30 DIEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000536669089 1047061686 /nfs/dbraw/zinc/06/16/86/1047061686.db2.gz OMAPGILWRIVKIF-IBGZPJMESA-N 1 1 300.446 4.380 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)s1 ZINC000536673025 1047063195 /nfs/dbraw/zinc/06/31/95/1047063195.db2.gz JEUXZUPBNVQRPI-ZDUSSCGKSA-N 1 1 302.830 4.263 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@]1(C)CC1(Cl)Cl ZINC000827516325 1047104511 /nfs/dbraw/zinc/10/45/11/1047104511.db2.gz RHEZIRKSYJSSME-HNNXBMFYSA-N 1 1 309.240 4.130 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001116439334 1047140440 /nfs/dbraw/zinc/14/04/40/1047140440.db2.gz VCYXHQJAYDEIHK-RBUKOAKNSA-N 1 1 312.457 4.381 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCc3ccccc32)cc1 ZINC000827745983 1047152818 /nfs/dbraw/zinc/15/28/18/1047152818.db2.gz JSZOQOBOSVWMBQ-LPHOPBHVSA-N 1 1 320.436 4.139 20 30 DIEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000537294765 1047160893 /nfs/dbraw/zinc/16/08/93/1047160893.db2.gz DRIGLPOPLZDUMK-DLBZAZTESA-N 1 1 313.489 4.109 20 30 DIEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000537294765 1047160894 /nfs/dbraw/zinc/16/08/94/1047160894.db2.gz DRIGLPOPLZDUMK-DLBZAZTESA-N 1 1 313.489 4.109 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168278362 1047186406 /nfs/dbraw/zinc/18/64/06/1047186406.db2.gz CPOGIGKUCJICLS-FQEVSTJZSA-N 1 1 307.437 4.241 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000388658042 1047211037 /nfs/dbraw/zinc/21/10/37/1047211037.db2.gz SMGZTXCWLRZHDX-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000388658040 1047211075 /nfs/dbraw/zinc/21/10/75/1047211075.db2.gz SMGZTXCWLRZHDX-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO N#Cc1ccc(Br)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001141662353 1047252829 /nfs/dbraw/zinc/25/28/29/1047252829.db2.gz FCPSCJVATUUTFQ-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796435115 1047272111 /nfs/dbraw/zinc/27/21/11/1047272111.db2.gz PUDKGOPQLIVTLF-HBGVWJBISA-N 1 1 320.436 4.065 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC001141739183 1047284118 /nfs/dbraw/zinc/28/41/18/1047284118.db2.gz HIBRQKJTTMFVCR-MRXNPFEDSA-N 1 1 302.421 4.383 20 30 DIEDMO COC1CCC([N@@H+](CCC#N)Cc2ccc(Cl)cc2)CC1 ZINC001255462800 1047285570 /nfs/dbraw/zinc/28/55/70/1047285570.db2.gz AWPXKTDAGSTBHY-UHFFFAOYSA-N 1 1 306.837 4.013 20 30 DIEDMO CCC[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H](C)CC ZINC001141807372 1047292934 /nfs/dbraw/zinc/29/29/34/1047292934.db2.gz FUBMTVAXSBIKEW-LBPRGKRZSA-N 1 1 309.251 4.331 20 30 DIEDMO CSc1nc(C[N@H+]2CCC[C@@H]2c2ccccc2C)ccc1C#N ZINC001141932101 1047311290 /nfs/dbraw/zinc/31/12/90/1047311290.db2.gz SSXXBWSQQJENSI-GOSISDBHSA-N 1 1 323.465 4.321 20 30 DIEDMO CSc1nc(C[N@H+]2CC[C@H](C3CCCCC3)C2)ccc1C#N ZINC001141941458 1047312071 /nfs/dbraw/zinc/31/20/71/1047312071.db2.gz KMJUILYDHYGXEV-INIZCTEOSA-N 1 1 315.486 4.077 20 30 DIEDMO COc1cccc(N[NH+]=Cc2ccccc2N2CCCCC2)c1 ZINC000725855098 1047320880 /nfs/dbraw/zinc/32/08/80/1047320880.db2.gz LQWVBOXBIDKTTQ-UHFFFAOYSA-N 1 1 309.413 4.132 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(-c3ccccc3)cn2)CC1 ZINC000651700376 1047322202 /nfs/dbraw/zinc/32/22/02/1047322202.db2.gz BQQFYUWQIKKAQJ-QGZVFWFLSA-N 1 1 321.468 4.050 20 30 DIEDMO F[C@@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C#Cc2ccccc2)s1 ZINC001141976065 1047326719 /nfs/dbraw/zinc/32/67/19/1047326719.db2.gz USQYYIWYKFRZPR-TXPKVOOTSA-N 1 1 311.425 4.080 20 30 DIEDMO Cc1onc(-c2ccccc2)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001141986058 1047330841 /nfs/dbraw/zinc/33/08/41/1047330841.db2.gz UGOGKRQWUFZBOE-UHFFFAOYSA-N 1 1 317.392 4.154 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1Cl ZINC000652063378 1047342923 /nfs/dbraw/zinc/34/29/23/1047342923.db2.gz KLHANKYVRRTWBV-HNNXBMFYSA-N 1 1 313.775 4.136 20 30 DIEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccc(N(C)C)cc1 ZINC000726427318 1047350129 /nfs/dbraw/zinc/35/01/29/1047350129.db2.gz VCDROEPHCLBLTN-UHFFFAOYSA-N 1 1 319.355 4.190 20 30 DIEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)nn1 ZINC000653762087 1047422220 /nfs/dbraw/zinc/42/22/20/1047422220.db2.gz SSHGTUWFTFLLKF-WOJBJXKFSA-N 1 1 324.472 4.012 20 30 DIEDMO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000612404382 1047423726 /nfs/dbraw/zinc/42/37/26/1047423726.db2.gz SHBJNRVHJINLES-QGZVFWFLSA-N 1 1 308.372 4.031 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc(C)c1OC(F)F ZINC000612404382 1047423729 /nfs/dbraw/zinc/42/37/29/1047423729.db2.gz SHBJNRVHJINLES-QGZVFWFLSA-N 1 1 308.372 4.031 20 30 DIEDMO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CCCSCC#N)cc1 ZINC000080629407 1047428153 /nfs/dbraw/zinc/42/81/53/1047428153.db2.gz OSPZTIULRDMNTI-MSOLQXFVSA-N 1 1 302.487 4.210 20 30 DIEDMO CC([NH2+]Nc1ccc(C#N)c(C(F)(F)F)c1)=C1CC1(F)F ZINC000841625867 1047438415 /nfs/dbraw/zinc/43/84/15/1047438415.db2.gz ZFTDNRQCKLMOLN-NSHDSACASA-N 1 1 303.234 4.020 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000537624550 1047475321 /nfs/dbraw/zinc/47/53/21/1047475321.db2.gz YLTMUNJIIMRBIL-LJQANCHMSA-N 1 1 308.425 4.292 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2[nH]cnc21)C1CCCCCCC1 ZINC001142687165 1047480349 /nfs/dbraw/zinc/48/03/49/1047480349.db2.gz ODWZJDYVBSXHDJ-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@H+](Cc1cccc2nc[nH]c21)C1CCCCCCC1 ZINC001142687165 1047480350 /nfs/dbraw/zinc/48/03/50/1047480350.db2.gz ODWZJDYVBSXHDJ-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2nc[nH]c21)C1CCCCCCC1 ZINC001142687165 1047480353 /nfs/dbraw/zinc/48/03/53/1047480353.db2.gz ODWZJDYVBSXHDJ-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120324627 1047487246 /nfs/dbraw/zinc/48/72/46/1047487246.db2.gz 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ZINC001142929162 1047516736 /nfs/dbraw/zinc/51/67/36/1047516736.db2.gz YSIFHIKGXUUWNN-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C=CCC[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000121375869 1047517396 /nfs/dbraw/zinc/51/73/96/1047517396.db2.gz ILROFOISDCEHCZ-SUMWQHHRSA-N 1 1 319.495 4.084 20 30 DIEDMO C=CC[N@@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000121555619 1047522309 /nfs/dbraw/zinc/52/23/09/1047522309.db2.gz RUAJTGXZGNOEAY-UHFFFAOYSA-N 1 1 308.381 4.121 20 30 DIEDMO C=CC[N@H+](C)Cc1cc(-c2c(OC)ccc3ccccc32)no1 ZINC000121555619 1047522316 /nfs/dbraw/zinc/52/23/16/1047522316.db2.gz RUAJTGXZGNOEAY-UHFFFAOYSA-N 1 1 308.381 4.121 20 30 DIEDMO N#CCC[N@@H+](Cc1cccc2n[nH]cc21)C1CCCCCCC1 ZINC001143091190 1047530351 /nfs/dbraw/zinc/53/03/51/1047530351.db2.gz BDCWARFMAPJFEH-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@H+](Cc1cc2cccnc2[nH]1)C1CCCCCCC1 ZINC001143220405 1047542225 /nfs/dbraw/zinc/54/22/25/1047542225.db2.gz LSQASHIYSDFSCL-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@@H+](Cc1cc2cccnc2[nH]1)C1CCCCCCC1 ZINC001143220405 1047542227 /nfs/dbraw/zinc/54/22/27/1047542227.db2.gz LSQASHIYSDFSCL-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC1CC1 ZINC000093091612 1047543346 /nfs/dbraw/zinc/54/33/46/1047543346.db2.gz CDYZIWNRMWMVAH-UHFFFAOYSA-N 1 1 314.763 4.067 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)CC1CC1 ZINC000093091612 1047543351 /nfs/dbraw/zinc/54/33/51/1047543351.db2.gz CDYZIWNRMWMVAH-UHFFFAOYSA-N 1 1 314.763 4.067 20 30 DIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093315561 1047544990 /nfs/dbraw/zinc/54/49/90/1047544990.db2.gz RKZHEBWZOFTJSC-MRXNPFEDSA-N 1 1 324.424 4.268 20 30 DIEDMO CCO[C@@H](C)c1nc(C[N@H+](C)CC(C)(C)CCC#N)cs1 ZINC000093737651 1047550788 /nfs/dbraw/zinc/55/07/88/1047550788.db2.gz XNDDQMVVIQDAQF-ZDUSSCGKSA-N 1 1 309.479 4.002 20 30 DIEDMO CCO[C@@H](C)c1nc(C[N@@H+](C)CC(C)(C)CCC#N)cs1 ZINC000093737651 1047550792 /nfs/dbraw/zinc/55/07/92/1047550792.db2.gz 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Cc1nc(-c2ccccc2)sc1[C@H](C)[N@@H+](C)CC1(C#N)CC1 ZINC000538349197 1047671141 /nfs/dbraw/zinc/67/11/41/1047671141.db2.gz RJZADGKBGJLRBY-AWEZNQCLSA-N 1 1 311.454 4.415 20 30 DIEDMO Cc1[nH+]c(N[C@@H](c2ccccc2)c2ccncc2)ccc1CC#N ZINC001156094844 1047699554 /nfs/dbraw/zinc/69/95/54/1047699554.db2.gz GIAZGJWPNNVVBQ-FQEVSTJZSA-N 1 1 314.392 4.053 20 30 DIEDMO Cc1ccc(CC#N)c(N[C@@H](c2ccccc2)c2ccncc2)[nH+]1 ZINC001156095277 1047699857 /nfs/dbraw/zinc/69/98/57/1047699857.db2.gz JFPZFUOXZVLBPI-IBGZPJMESA-N 1 1 314.392 4.053 20 30 DIEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2ccc(C#N)s2)o1 ZINC000538721769 1047700803 /nfs/dbraw/zinc/70/08/03/1047700803.db2.gz CRNVOMPAYCAVQM-BLLLJJGKSA-N 1 1 300.427 4.494 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2cc[nH]c21 ZINC000538728228 1047701625 /nfs/dbraw/zinc/70/16/25/1047701625.db2.gz GHVFFOPLEYKSGH-WOJBJXKFSA-N 1 1 315.420 4.440 20 30 DIEDMO CCCCCCCCCCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001156347524 1047707831 /nfs/dbraw/zinc/70/78/31/1047707831.db2.gz MBQQLHWCTPYNJI-GOSISDBHSA-N 1 1 310.526 4.460 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000539228158 1047743377 /nfs/dbraw/zinc/74/33/77/1047743377.db2.gz ZIESUMBFFNZHAZ-HNNXBMFYSA-N 1 1 324.424 4.205 20 30 DIEDMO COc1cc(NC23CCC(C#N)(CC2)CC3)[nH+]c2ccccc21 ZINC001158785292 1047797493 /nfs/dbraw/zinc/79/74/93/1047797493.db2.gz PIHYKWWDSLXDOB-UHFFFAOYSA-N 1 1 307.397 4.272 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)c(F)cc2Br)C1 ZINC001183065195 1047887692 /nfs/dbraw/zinc/88/76/92/1047887692.db2.gz HZBKFKVDVPLNSS-LBPRGKRZSA-N 1 1 312.226 4.295 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001198458325 1047958901 /nfs/dbraw/zinc/95/89/01/1047958901.db2.gz QNBBMAMFXCBEEK-UHFFFAOYSA-N 1 1 301.386 4.008 20 30 DIEDMO C#C[C@@H]1CCCC[N@@H+]1CC/C=C\c1ccc(Br)cc1 ZINC001198525487 1047969344 /nfs/dbraw/zinc/96/93/44/1047969344.db2.gz MQEGKAVXARDOHP-RJIDQJRZSA-N 1 1 318.258 4.340 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1nc(NC2CC2)c(C)c[nH+]1 ZINC001160178690 1047988703 /nfs/dbraw/zinc/98/87/03/1047988703.db2.gz LLJDFAZJFKTLRU-AWEZNQCLSA-N 1 1 324.428 4.097 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cnc2[nH]cc(C)c21 ZINC001160178955 1047989217 /nfs/dbraw/zinc/98/92/17/1047989217.db2.gz QPCKVXSYMOGBMB-CYBMUJFWSA-N 1 1 308.385 4.004 20 30 DIEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CCCCC1(C#N)CCC1 ZINC001198676155 1047995071 /nfs/dbraw/zinc/99/50/71/1047995071.db2.gz JAVDXEDBPMPBIV-UHFFFAOYSA-N 1 1 322.456 4.190 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001198704769 1047999094 /nfs/dbraw/zinc/99/90/94/1047999094.db2.gz FGKWMZTULNOALU-OAQYLSRUSA-N 1 1 320.436 4.139 20 30 DIEDMO COc1nc(C)cc(C)c1C[N@H+](C)CCC1(C#N)CCCCC1 ZINC001174899735 1048016998 /nfs/dbraw/zinc/01/69/98/1048016998.db2.gz USGDLEXWLSIIKJ-UHFFFAOYSA-N 1 1 315.461 4.003 20 30 DIEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001174899735 1048017010 /nfs/dbraw/zinc/01/70/10/1048017010.db2.gz USGDLEXWLSIIKJ-UHFFFAOYSA-N 1 1 315.461 4.003 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N[C@@H](C#N)CC(C)C)nc1 ZINC001160364317 1048039965 /nfs/dbraw/zinc/03/99/65/1048039965.db2.gz AERTZQVMIOXJOQ-MSOLQXFVSA-N 1 1 314.477 4.369 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)cc2cc(F)ccc21 ZINC001160951820 1048100218 /nfs/dbraw/zinc/10/02/18/1048100218.db2.gz LPJZDBLCDKQQCX-AWEZNQCLSA-N 1 1 319.811 4.090 20 30 DIEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1Sc1ccccc1 ZINC000554486735 1048110565 /nfs/dbraw/zinc/11/05/65/1048110565.db2.gz WINACZIWCIYCHM-MRXNPFEDSA-N 1 1 321.449 4.371 20 30 DIEDMO CCCCCCCCCCN(C)C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001161221543 1048115407 /nfs/dbraw/zinc/11/54/07/1048115407.db2.gz SUTWIDDWWPWHCC-INIZCTEOSA-N 1 1 310.507 4.347 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC001185037969 1048121655 /nfs/dbraw/zinc/12/16/55/1048121655.db2.gz YTQPKZKMPZJWSA-DOTOQJQBSA-N 1 1 323.415 4.253 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)CCc1ccccc1 ZINC001161611942 1048142525 /nfs/dbraw/zinc/14/25/25/1048142525.db2.gz RMVHHQLTRZNNFH-HNNXBMFYSA-N 1 1 306.413 4.051 20 30 DIEDMO Cc1[nH+]c(NCC2(Cc3ccc(F)cc3)CC2)ccc1CC#N ZINC001161622815 1048147539 /nfs/dbraw/zinc/14/75/39/1048147539.db2.gz OEZYOKZPLRXFBC-UHFFFAOYSA-N 1 1 309.388 4.030 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000554740532 1048169905 /nfs/dbraw/zinc/16/99/05/1048169905.db2.gz BEMXKABMIAMZQX-IBGZPJMESA-N 1 1 312.388 4.289 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000480534978 1048170839 /nfs/dbraw/zinc/17/08/39/1048170839.db2.gz YRKPJJFHIOPDRN-UHFFFAOYSA-N 1 1 308.397 4.486 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000480534978 1048170847 /nfs/dbraw/zinc/17/08/47/1048170847.db2.gz YRKPJJFHIOPDRN-UHFFFAOYSA-N 1 1 308.397 4.486 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000554732490 1048172769 /nfs/dbraw/zinc/17/27/69/1048172769.db2.gz CCQUKEHTPAXSFF-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527312 1048172944 /nfs/dbraw/zinc/17/29/44/1048172944.db2.gz OUKIDOYWVFGYAL-JKSUJKDBSA-N 1 1 308.878 4.318 20 30 DIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000480527310 1048173176 /nfs/dbraw/zinc/17/31/76/1048173176.db2.gz OUKIDOYWVFGYAL-HOTGVXAUSA-N 1 1 308.878 4.318 20 30 DIEDMO C=CCCC[N@H+](C)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000480558257 1048179439 /nfs/dbraw/zinc/17/94/39/1048179439.db2.gz SACAYJCVDLKOHD-UHFFFAOYSA-N 1 1 308.397 4.486 20 30 DIEDMO Cc1nc([C@@H](C)O[NH+]=C(N)C(C)C)oc1-c1ccc(Cl)cc1 ZINC000128433211 1048197026 /nfs/dbraw/zinc/19/70/26/1048197026.db2.gz FYADEBHNDFUQJQ-LLVKDONJSA-N 1 1 321.808 4.309 20 30 DIEDMO C[C@H](c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1)C(F)(F)F ZINC001175249657 1048222237 /nfs/dbraw/zinc/22/22/37/1048222237.db2.gz IBNGMQJDYORLJL-UHOFOFEASA-N 1 1 310.363 4.476 20 30 DIEDMO C[C@H](c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1)C(F)(F)F ZINC001175249657 1048222245 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N#Cc1ccc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)s1 ZINC001175491106 1048326352 /nfs/dbraw/zinc/32/63/52/1048326352.db2.gz JXZSVFCKFQVVOK-KRWDZBQOSA-N 1 1 300.402 4.081 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001201631399 1048326995 /nfs/dbraw/zinc/32/69/95/1048326995.db2.gz RODBFKFWIWTVMF-INIZCTEOSA-N 1 1 305.453 4.467 20 30 DIEDMO CCCCCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001201631443 1048328428 /nfs/dbraw/zinc/32/84/28/1048328428.db2.gz SQGKFPLHANXOMP-FQEVSTJZSA-N 1 1 324.553 4.314 20 30 DIEDMO C[C@H](c1ccc(-c2ccccc2)cc1)[N@@H+](C)CCOCCC#N ZINC000555377713 1048334642 /nfs/dbraw/zinc/33/46/42/1048334642.db2.gz SMFKNGDLOZYPBP-QGZVFWFLSA-N 1 1 308.425 4.277 20 30 DIEDMO Cc1ccc(C#N)cc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175506346 1048340524 /nfs/dbraw/zinc/34/05/24/1048340524.db2.gz VQYKAFLWJZPTFD-UHFFFAOYSA-N 1 1 303.409 4.068 20 30 DIEDMO Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cc1C#N ZINC001175506399 1048342986 /nfs/dbraw/zinc/34/29/86/1048342986.db2.gz 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C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001191691147 1048985716 /nfs/dbraw/zinc/98/57/16/1048985716.db2.gz LGCAGXCMAVWYMM-SJORKVTESA-N 1 1 322.493 4.207 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C2CCSCC2)c1 ZINC001203763998 1048994063 /nfs/dbraw/zinc/99/40/63/1048994063.db2.gz SCYNHOIQPAMSSI-UHFFFAOYSA-N 1 1 322.477 4.456 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)c1 ZINC001203764823 1048994190 /nfs/dbraw/zinc/99/41/90/1048994190.db2.gz ZLLINYNNJQFUSD-UHFFFAOYSA-N 1 1 316.326 4.135 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000776798509 1049018978 /nfs/dbraw/zinc/01/89/78/1049018978.db2.gz JJFKEHMBBSQYDV-UHFFFAOYSA-N 1 1 323.827 4.204 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCc2ccncc2)C(C)(C)C)cc1 ZINC001192052796 1049036106 /nfs/dbraw/zinc/03/61/06/1049036106.db2.gz LAFHOXGWYPKFKM-UHFFFAOYSA-N 1 1 324.468 4.490 20 30 DIEDMO C[C@]1(c2ccccc2)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001192160355 1049046157 /nfs/dbraw/zinc/04/61/57/1049046157.db2.gz UANFBNJMMMUULB-LJQANCHMSA-N 1 1 312.457 4.098 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC001192252148 1049059882 /nfs/dbraw/zinc/05/98/82/1049059882.db2.gz GMLFXEXQVWYERN-OALUTQOASA-N 1 1 300.490 4.328 20 30 DIEDMO N#Cc1cccc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000037077144 1049068197 /nfs/dbraw/zinc/06/81/97/1049068197.db2.gz ANVRCZUGKDZQQG-UHFFFAOYSA-N 1 1 302.377 4.354 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000037077144 1049068206 /nfs/dbraw/zinc/06/82/06/1049068206.db2.gz ANVRCZUGKDZQQG-UHFFFAOYSA-N 1 1 302.377 4.354 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCCCC1 ZINC001204052697 1049075013 /nfs/dbraw/zinc/07/50/13/1049075013.db2.gz SXYZGMNTGZRGIK-UHFFFAOYSA-N 1 1 314.429 4.244 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2csc(C)n2)no1 ZINC000904528929 1049080037 /nfs/dbraw/zinc/08/00/37/1049080037.db2.gz LPGYVEBSDLWJJX-AWEZNQCLSA-N 1 1 322.478 4.176 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCc1ccc(C#N)cc1 ZINC001192304233 1049082776 /nfs/dbraw/zinc/08/27/76/1049082776.db2.gz RXUUPMFCQFCXTD-GJZGRUSLSA-N 1 1 308.400 4.248 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC#Cc2ccc(F)cc2)c1 ZINC001192500175 1049111447 /nfs/dbraw/zinc/11/14/47/1049111447.db2.gz HKBGDXULYPOCNN-KKSFZXQISA-N 1 1 323.411 4.269 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc(N(C)C)c2ccccc12 ZINC001204242806 1049118169 /nfs/dbraw/zinc/11/81/69/1049118169.db2.gz SCSHZAADADVGHH-UHFFFAOYSA-N 1 1 309.457 4.422 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC001204242745 1049118842 /nfs/dbraw/zinc/11/88/42/1049118842.db2.gz QSATZZJTXBHGDB-MRXNPFEDSA-N 1 1 307.441 4.031 20 30 DIEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001204242953 1049121200 /nfs/dbraw/zinc/12/12/00/1049121200.db2.gz UORIUWRMZGKXBI-MRXNPFEDSA-N 1 1 307.441 4.031 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001204300089 1049134769 /nfs/dbraw/zinc/13/47/69/1049134769.db2.gz JEAOSCQIZLTABZ-OAQYLSRUSA-N 1 1 323.436 4.043 20 30 DIEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)ccc1C#N ZINC001204306114 1049136389 /nfs/dbraw/zinc/13/63/89/1049136389.db2.gz GFEFZOAYZUHNEW-LIRRHRJNSA-N 1 1 324.399 4.289 20 30 DIEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc3ccccc3s2)no1 ZINC000904726923 1049141828 /nfs/dbraw/zinc/14/18/28/1049141828.db2.gz DTGGHDCZMFDZFJ-AWEZNQCLSA-N 1 1 313.426 4.231 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccc2)C1 ZINC001204332089 1049144084 /nfs/dbraw/zinc/14/40/84/1049144084.db2.gz WBVAENURKXIWKR-SFHVURJKSA-N 1 1 305.421 4.111 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001204368047 1049153426 /nfs/dbraw/zinc/15/34/26/1049153426.db2.gz CXJYDWUPBUUERT-WOJBJXKFSA-N 1 1 317.473 4.399 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CCC3(COC3)C2)cc1 ZINC001204369114 1049153519 /nfs/dbraw/zinc/15/35/19/1049153519.db2.gz NVEQUANHDIVSSV-UHFFFAOYSA-N 1 1 317.473 4.258 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001204372993 1049153713 /nfs/dbraw/zinc/15/37/13/1049153713.db2.gz MDGXAEBRLLNNRV-SFHVURJKSA-N 1 1 320.436 4.022 20 30 DIEDMO C[C@H](CC#N)[NH2+]Cc1cccc(OCCCc2ccccc2)c1 ZINC001179479088 1049170596 /nfs/dbraw/zinc/17/05/96/1049170596.db2.gz IDQFITNIWQCLDB-QGZVFWFLSA-N 1 1 308.425 4.090 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)ccc1F)C(C)(C)C ZINC001204499295 1049176377 /nfs/dbraw/zinc/17/63/77/1049176377.db2.gz PYKBRZQGUMUMFO-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO COc1ccc(C[C@@H](C)C[N@@H+](CCC#N)CCC(C)C)cc1F ZINC001204498294 1049177086 /nfs/dbraw/zinc/17/70/86/1049177086.db2.gz YOQPNACIDAEPEL-MRXNPFEDSA-N 1 1 320.452 4.275 20 30 DIEDMO C=CC[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C(C)C ZINC000775573457 1049177306 /nfs/dbraw/zinc/17/73/06/1049177306.db2.gz YPVSQCHBNJRFFB-UHFFFAOYSA-N 1 1 308.397 4.485 20 30 DIEDMO C=CC[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C(C)C ZINC000775573457 1049177317 /nfs/dbraw/zinc/17/73/17/1049177317.db2.gz YPVSQCHBNJRFFB-UHFFFAOYSA-N 1 1 308.397 4.485 20 30 DIEDMO Cc1c(F)cccc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001204510747 1049178563 /nfs/dbraw/zinc/17/85/63/1049178563.db2.gz NRFNICGPKVEIIJ-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO CCC1(CC)CCC[N@@H+](Cc2cc(C#N)ccc2OC)CC1 ZINC001193430330 1049210696 /nfs/dbraw/zinc/21/06/96/1049210696.db2.gz HETNVHIYAONDGW-UHFFFAOYSA-N 1 1 300.446 4.359 20 30 DIEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)cc1 ZINC000485244904 1049211342 /nfs/dbraw/zinc/21/13/42/1049211342.db2.gz NRZFVCJDXPHVDK-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)cc1 ZINC000485244904 1049211350 /nfs/dbraw/zinc/21/13/50/1049211350.db2.gz NRZFVCJDXPHVDK-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)cc1 ZINC001179858623 1049222257 /nfs/dbraw/zinc/22/22/57/1049222257.db2.gz HTWMURBPNKPZCC-LJQANCHMSA-N 1 1 322.427 4.461 20 30 DIEDMO C=C(C)[C@@H](NC[C@@H]1CCCC[N@@H+]1C(C)C)c1ccc(F)c(F)c1 ZINC001193573936 1049225003 /nfs/dbraw/zinc/22/50/03/1049225003.db2.gz CSETZRBSKKEWBE-QFBILLFUSA-N 1 1 322.443 4.435 20 30 DIEDMO C=C(C)[C@@H]([NH2+]C[C@@H]1CCCCN1C(C)C)c1ccc(F)c(F)c1 ZINC001193573936 1049225015 /nfs/dbraw/zinc/22/50/15/1049225015.db2.gz CSETZRBSKKEWBE-QFBILLFUSA-N 1 1 322.443 4.435 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC001179997460 1049246604 /nfs/dbraw/zinc/24/66/04/1049246604.db2.gz NFLFZYJYWAERFD-UHFFFAOYSA-N 1 1 302.296 4.010 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC001179961601 1049250878 /nfs/dbraw/zinc/25/08/78/1049250878.db2.gz GLJJPVGBWLPCKG-ICSRJNTNSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(F)c1 ZINC001179961601 1049250888 /nfs/dbraw/zinc/25/08/88/1049250888.db2.gz GLJJPVGBWLPCKG-ICSRJNTNSA-N 1 1 308.400 4.406 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)c(C)c1 ZINC001179966927 1049255694 /nfs/dbraw/zinc/25/56/94/1049255694.db2.gz UYYGEAOLRWTYLD-UHFFFAOYSA-N 1 1 306.409 4.064 20 30 DIEDMO C=CC[C@@H]1[N@@H+](C[C@H]2CCCC[C@@H]2C(=O)OC)CCCC1(C)C ZINC001193919526 1049281789 /nfs/dbraw/zinc/28/17/89/1049281789.db2.gz ANUCYOPZECBFFM-IKGGRYGDSA-N 1 1 307.478 4.033 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cccc(C(=O)OC)c2)CCCC1(C)C ZINC001193921104 1049284592 /nfs/dbraw/zinc/28/45/92/1049284592.db2.gz UAHOJDUMWSWDKD-KRWDZBQOSA-N 1 1 301.430 4.040 20 30 DIEDMO COc1cc(C[N@@H+]2CC=C(c3ccc(C)cc3)CC2)ccc1C#N ZINC001180177560 1049295310 /nfs/dbraw/zinc/29/53/10/1049295310.db2.gz CRIDQZMHJNHGAT-UHFFFAOYSA-N 1 1 318.420 4.165 20 30 DIEDMO CCCCCCCOC(=O)Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001194012182 1049299318 /nfs/dbraw/zinc/29/93/18/1049299318.db2.gz DKIJSDOJQUJYHO-UHFFFAOYSA-N 1 1 304.434 4.193 20 30 DIEDMO C=CC[N@H+](Cc1c(C(F)(F)F)cnn1C)CC1CCCCC1 ZINC001204923721 1049312554 /nfs/dbraw/zinc/31/25/54/1049312554.db2.gz NRGUMUKRTWMNLB-UHFFFAOYSA-N 1 1 315.383 4.007 20 30 DIEDMO CC[N@@H+](Cc1ccc(SC)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC001180195091 1049313064 /nfs/dbraw/zinc/31/30/64/1049313064.db2.gz QKEPJTGEOFLNOH-ZDUSSCGKSA-N 1 1 300.427 4.456 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)o1 ZINC000485731099 1049328724 /nfs/dbraw/zinc/32/87/24/1049328724.db2.gz TXSXUJSTIGGHDU-ZCNNSNEGSA-N 1 1 306.409 4.309 20 30 DIEDMO C#CC[N@H+](Cc1nccc2c1CCCC2)[C@H]1CCc2ccccc21 ZINC001180295863 1049336293 /nfs/dbraw/zinc/33/62/93/1049336293.db2.gz BMNCDKXIZZIFRV-QFIPXVFZSA-N 1 1 316.448 4.083 20 30 DIEDMO C#CC[N@@H+](Cc1nccc2c1CCCC2)[C@H]1CCc2ccccc21 ZINC001180295863 1049336303 /nfs/dbraw/zinc/33/63/03/1049336303.db2.gz BMNCDKXIZZIFRV-QFIPXVFZSA-N 1 1 316.448 4.083 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC001194220033 1049345067 /nfs/dbraw/zinc/34/50/67/1049345067.db2.gz AFSIEUUABJTTNZ-HNNXBMFYSA-N 1 1 323.399 4.164 20 30 DIEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1C(C)(C)C ZINC001180404515 1049350188 /nfs/dbraw/zinc/35/01/88/1049350188.db2.gz VLCOFLWGWQGTHK-UHFFFAOYSA-N 1 1 302.462 4.364 20 30 DIEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1C(C)(C)C ZINC001180404515 1049350199 /nfs/dbraw/zinc/35/01/99/1049350199.db2.gz VLCOFLWGWQGTHK-UHFFFAOYSA-N 1 1 302.462 4.364 20 30 DIEDMO N#CCC1CC[NH+](Cc2cccc(C(F)(F)F)c2Cl)CC1 ZINC001205050006 1049353715 /nfs/dbraw/zinc/35/37/15/1049353715.db2.gz OGPKIGSVEXXUDX-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO N#CCSCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000485885984 1049361815 /nfs/dbraw/zinc/36/18/15/1049361815.db2.gz XYAJRHVZZJUIRW-IPMKNSEASA-N 1 1 314.498 4.291 20 30 DIEDMO C=C(C)C[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001205108940 1049381215 /nfs/dbraw/zinc/38/12/15/1049381215.db2.gz WKZPMOJVRHDRIN-UHFFFAOYSA-N 1 1 303.189 4.300 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001205108940 1049381231 /nfs/dbraw/zinc/38/12/31/1049381231.db2.gz WKZPMOJVRHDRIN-UHFFFAOYSA-N 1 1 303.189 4.300 20 30 DIEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC001194505858 1049386100 /nfs/dbraw/zinc/38/61/00/1049386100.db2.gz WJBPVLZXSVJESU-INIZCTEOSA-N 1 1 322.330 4.252 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001194633269 1049401644 /nfs/dbraw/zinc/40/16/44/1049401644.db2.gz PSBQSLJVTNWBFC-SFHVURJKSA-N 1 1 305.849 4.377 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)ccc1F ZINC001205193085 1049407833 /nfs/dbraw/zinc/40/78/33/1049407833.db2.gz PLHSUMPEEYPDQX-GOSISDBHSA-N 1 1 324.399 4.049 20 30 DIEDMO C#Cc1ccc(C[N@H+](Cc2ccc(OC)cc2)[C@@H](C)C2CC2)cc1 ZINC001205225220 1049413280 /nfs/dbraw/zinc/41/32/80/1049413280.db2.gz SZXXEDWDDSBEID-KRWDZBQOSA-N 1 1 319.448 4.477 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)cc1F ZINC001205251945 1049416396 /nfs/dbraw/zinc/41/63/96/1049416396.db2.gz RVWVKSLVSZAIIX-LJQANCHMSA-N 1 1 324.399 4.049 20 30 DIEDMO CCCCCCCCOC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001194752172 1049417406 /nfs/dbraw/zinc/41/74/06/1049417406.db2.gz DWEREXDGGFJFAI-OSYLJGHBSA-N 1 1 310.482 4.088 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC001194715563 1049421077 /nfs/dbraw/zinc/42/10/77/1049421077.db2.gz RNALCGHZBJMFOK-DBVUQKKJSA-N 1 1 314.473 4.272 20 30 DIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CCCCC1(C)C ZINC001194791034 1049422385 /nfs/dbraw/zinc/42/23/85/1049422385.db2.gz CUGPXRCPAUBFAO-IBGZPJMESA-N 1 1 314.473 4.223 20 30 DIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CCCCC1(C)C ZINC001194791035 1049422440 /nfs/dbraw/zinc/42/24/40/1049422440.db2.gz CUGPXRCPAUBFAO-LJQANCHMSA-N 1 1 314.473 4.223 20 30 DIEDMO CCCc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)cc1 ZINC001194791079 1049422492 /nfs/dbraw/zinc/42/24/92/1049422492.db2.gz FGWRSQABWGIDOP-UHFFFAOYSA-N 1 1 322.452 4.159 20 30 DIEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001194757054 1049425856 /nfs/dbraw/zinc/42/58/56/1049425856.db2.gz XRITZYUQCBEDER-IRXDYDNUSA-N 1 1 312.498 4.192 20 30 DIEDMO C[C@@H]1CC[C@@H](Nc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC001205320603 1049438026 /nfs/dbraw/zinc/43/80/26/1049438026.db2.gz KMPUNIHQKMVONJ-DYESRHJHSA-N 1 1 319.452 4.218 20 30 DIEDMO CC(C)CC1(C)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001194862668 1049438710 /nfs/dbraw/zinc/43/87/10/1049438710.db2.gz CKBYRVFWWRFVSD-UHFFFAOYSA-N 1 1 315.417 4.115 20 30 DIEDMO CCCCCCC[C@@H](C)C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001181133752 1049444087 /nfs/dbraw/zinc/44/40/87/1049444087.db2.gz ZOFWWZDPVHBXAX-TVFCKZIOSA-N 1 1 308.510 4.115 20 30 DIEDMO CCCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194919992 1049449042 /nfs/dbraw/zinc/44/90/42/1049449042.db2.gz PEMXUZFEZOESEN-BJWYYQGGSA-N 1 1 310.482 4.088 20 30 DIEDMO CCCCCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194928813 1049451270 /nfs/dbraw/zinc/45/12/70/1049451270.db2.gz GXSCGDIQWTYQMZ-BCDXTJNWSA-N 1 1 324.509 4.479 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000486690172 1049455583 /nfs/dbraw/zinc/45/55/83/1049455583.db2.gz LCUDCPYOOUHCOI-INIZCTEOSA-N 1 1 303.409 4.321 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC001205397035 1049460158 /nfs/dbraw/zinc/46/01/58/1049460158.db2.gz LBEMZTQDNBPLFH-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC001205397035 1049460162 /nfs/dbraw/zinc/46/01/62/1049460162.db2.gz LBEMZTQDNBPLFH-VBKZILBWSA-N 1 1 324.399 4.289 20 30 DIEDMO C=C(CC)C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486825815 1049481489 /nfs/dbraw/zinc/48/14/89/1049481489.db2.gz VELRJTJUMSIXEU-YLJYHZDGSA-N 1 1 323.440 4.056 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](N(C)c3ccc(C)cc3)C2)cc1 ZINC001181514215 1049485440 /nfs/dbraw/zinc/48/54/40/1049485440.db2.gz BABPLPCMFCGKAS-JOCHJYFZSA-N 1 1 318.464 4.077 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC001181602649 1049493720 /nfs/dbraw/zinc/49/37/20/1049493720.db2.gz VMTPSLQJRMUVGB-BHDDXSALSA-N 1 1 301.433 4.306 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC001181602650 1049493910 /nfs/dbraw/zinc/49/39/10/1049493910.db2.gz VMTPSLQJRMUVGB-VSKRKVRLSA-N 1 1 301.433 4.306 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(OC)ccc1O ZINC000775647233 1049494449 /nfs/dbraw/zinc/49/44/49/1049494449.db2.gz SBZZKKZAWIUQSL-UHFFFAOYSA-N 1 1 323.845 4.304 20 30 DIEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001205569666 1049501659 /nfs/dbraw/zinc/50/16/59/1049501659.db2.gz VQLOJCPXVVOQSY-GFCCVEGCSA-N 1 1 319.326 4.350 20 30 DIEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1Oc1cc(F)cc(F)c1 ZINC001205569666 1049501671 /nfs/dbraw/zinc/50/16/71/1049501671.db2.gz VQLOJCPXVVOQSY-GFCCVEGCSA-N 1 1 319.326 4.350 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(CC)c1O)c1ccc(Cl)cc1F ZINC001181697634 1049508290 /nfs/dbraw/zinc/50/82/90/1049508290.db2.gz LXMMKECFQQPZPC-QGZVFWFLSA-N 1 1 317.791 4.211 20 30 DIEDMO C=CC[C@H]([NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1)C(=O)OCC ZINC001205660075 1049526044 /nfs/dbraw/zinc/52/60/44/1049526044.db2.gz LANMEXLHQIHTQT-AITUJVMLSA-N 1 1 315.457 4.056 20 30 DIEDMO C=CC[C@H]([NH2+][C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1)C(=O)OCC ZINC001205660078 1049526181 /nfs/dbraw/zinc/52/61/81/1049526181.db2.gz LANMEXLHQIHTQT-OWYHZJEWSA-N 1 1 315.457 4.056 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(Br)c1 ZINC001195508811 1049539888 /nfs/dbraw/zinc/53/98/88/1049539888.db2.gz MBHSWFQSDMOVKN-BBRMVZONSA-N 1 1 319.246 4.085 20 30 DIEDMO CCCCCCCCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205734299 1049546679 /nfs/dbraw/zinc/54/66/79/1049546679.db2.gz DBEVVMRSLSOJMW-MRXNPFEDSA-N 1 1 304.469 4.433 20 30 DIEDMO C#CC[N@H+](Cc1ccccc1)Cc1cnc2c(F)cccc2c1 ZINC001205740563 1049548846 /nfs/dbraw/zinc/54/88/46/1049548846.db2.gz JLWRVVIGLFWWLD-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cnc2c(F)cccc2c1 ZINC001205740563 1049548855 /nfs/dbraw/zinc/54/88/55/1049548855.db2.gz JLWRVVIGLFWWLD-UHFFFAOYSA-N 1 1 304.368 4.009 20 30 DIEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001195637894 1049549699 /nfs/dbraw/zinc/54/96/99/1049549699.db2.gz CLXHNGIYKCUQCS-MRXNPFEDSA-N 1 1 313.401 4.011 20 30 DIEDMO C#CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001205740847 1049549783 /nfs/dbraw/zinc/54/97/83/1049549783.db2.gz MDYRAEIAHCQNMU-GHRIWEEISA-N 1 1 320.392 4.134 20 30 DIEDMO C#C[C@H]([NH2+]C[C@H](OC)C1CCCCC1)c1ccc(Cl)cc1F ZINC001205755710 1049555397 /nfs/dbraw/zinc/55/53/97/1049555397.db2.gz MYKILJAPQNGJTA-ROUUACIJSA-N 1 1 323.839 4.338 20 30 DIEDMO C#C[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCC2)c1ccc(Cl)cc1F ZINC001205755390 1049555578 /nfs/dbraw/zinc/55/55/78/1049555578.db2.gz HUZSRVIUJVCGEE-YESZJQIVSA-N 1 1 321.823 4.091 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195694649 1049558800 /nfs/dbraw/zinc/55/88/00/1049558800.db2.gz PTHKLHDAQPKNHH-GJZGRUSLSA-N 1 1 308.400 4.420 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC001195694651 1049559544 /nfs/dbraw/zinc/55/95/44/1049559544.db2.gz PTHKLHDAQPKNHH-LSDHHAIUSA-N 1 1 308.400 4.420 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC001205831896 1049577747 /nfs/dbraw/zinc/57/77/47/1049577747.db2.gz TWMABNOIXIQALE-HNNXBMFYSA-N 1 1 302.422 4.190 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1ccc2scnc2c1)c1ccc(Cl)cc1 ZINC001182162377 1049579445 /nfs/dbraw/zinc/57/94/45/1049579445.db2.gz YQPAXMVWNFDFOF-OAHLLOKOSA-N 1 1 312.825 4.414 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cc(F)cc(OCC)c1)c1ccc(Cl)cc1 ZINC001182162332 1049579762 /nfs/dbraw/zinc/57/97/62/1049579762.db2.gz YCIAYLKQSLAAQA-GOSISDBHSA-N 1 1 317.791 4.342 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)C1 ZINC000569933917 1049585307 /nfs/dbraw/zinc/58/53/07/1049585307.db2.gz WKFHSGJFDDFXHK-HIFRSBDPSA-N 1 1 320.358 4.487 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC001195947823 1049600201 /nfs/dbraw/zinc/60/02/01/1049600201.db2.gz YTZOFOOBOIPMIL-AWEZNQCLSA-N 1 1 300.377 4.269 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccsc1)C(C)(C)C ZINC001196021118 1049604912 /nfs/dbraw/zinc/60/49/12/1049604912.db2.gz FJWFCACNXLIFFX-UHFFFAOYSA-N 1 1 314.454 4.429 20 30 DIEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1Cl ZINC001196023088 1049605242 /nfs/dbraw/zinc/60/52/42/1049605242.db2.gz QQCFLDLZXYKTID-FUHWJXTLSA-N 1 1 307.865 4.064 20 30 DIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)c(C)c1)CCC2 ZINC000488185889 1049610924 /nfs/dbraw/zinc/61/09/24/1049610924.db2.gz QZYDVPPATQIVFN-QGZVFWFLSA-N 1 1 311.454 4.141 20 30 DIEDMO Cc1cc2cc(C[NH2+]Cc3ccc(C#N)cc3F)oc2cc1C ZINC000174977375 1049613217 /nfs/dbraw/zinc/61/32/17/1049613217.db2.gz JVUQBZZZLCZNQA-UHFFFAOYSA-N 1 1 308.356 4.350 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1Cc1ccc(C#N)cc1F ZINC001205999370 1049623603 /nfs/dbraw/zinc/62/36/03/1049623603.db2.gz XPGYOOYJICFNMZ-VCBZYWHSSA-N 1 1 308.400 4.464 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(Br)c1 ZINC001196329131 1049644195 /nfs/dbraw/zinc/64/41/95/1049644195.db2.gz LWUSVWAWJBHYFT-GASCZTMLSA-N 1 1 306.247 4.441 20 30 DIEDMO C=CC[N@H+](CCc1ccc(OC(F)(F)F)cc1)C(C)(C)C ZINC001196198266 1049628437 /nfs/dbraw/zinc/62/84/37/1049628437.db2.gz IEPNPMCHBHUMEK-UHFFFAOYSA-N 1 1 301.352 4.414 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1F)CC1CC1 ZINC001196236877 1049635944 /nfs/dbraw/zinc/63/59/44/1049635944.db2.gz HSQLTPYTOWDTJT-UHFFFAOYSA-N 1 1 308.400 4.418 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2nc(C)cc2C)cc1 ZINC001196322580 1049642294 /nfs/dbraw/zinc/64/22/94/1049642294.db2.gz OUSFTCVZAPRKEK-BGYRXZFFSA-N 1 1 307.441 4.172 20 30 DIEDMO C=CC[C@H]1CC[N@H+](CCCCCn2c(C)nc3ccccc32)C1 ZINC001196442636 1049652943 /nfs/dbraw/zinc/65/29/43/1049652943.db2.gz SEWMRGNDVKSGSS-SFHVURJKSA-N 1 1 311.473 4.413 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)[C@H](C)CO1 ZINC000488452805 1049658332 /nfs/dbraw/zinc/65/83/32/1049658332.db2.gz YIXVKKLIEHPXSG-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@H](C)CO1 ZINC000488452805 1049658337 /nfs/dbraw/zinc/65/83/37/1049658337.db2.gz YIXVKKLIEHPXSG-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC001196480594 1049658971 /nfs/dbraw/zinc/65/89/71/1049658971.db2.gz WNHGQBOVEUJVDA-AWEZNQCLSA-N 1 1 324.490 4.080 20 30 DIEDMO Cc1cccc(CCC[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC001196624383 1049677731 /nfs/dbraw/zinc/67/77/31/1049677731.db2.gz ZHFJATPPEWYUTE-UHFFFAOYSA-N 1 1 304.437 4.052 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC001196692811 1049684441 /nfs/dbraw/zinc/68/44/41/1049684441.db2.gz FNOLLBXZDYCEKJ-UHFFFAOYSA-N 1 1 322.355 4.197 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCc3cc(C(F)(F)F)ccc3C2)s1 ZINC001196692811 1049684443 /nfs/dbraw/zinc/68/44/43/1049684443.db2.gz FNOLLBXZDYCEKJ-UHFFFAOYSA-N 1 1 322.355 4.197 20 30 DIEDMO C=C[C@H]1CCCCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000488859186 1049705852 /nfs/dbraw/zinc/70/58/52/1049705852.db2.gz DSJNPSNFXLLYQN-IBGZPJMESA-N 1 1 314.473 4.098 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)C1 ZINC001182795572 1049710618 /nfs/dbraw/zinc/71/06/18/1049710618.db2.gz GKBJQEILFWEVOC-DLBZAZTESA-N 1 1 324.509 4.071 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001197144207 1049721860 /nfs/dbraw/zinc/72/18/60/1049721860.db2.gz DXQOGYWZCOARKV-DLBZAZTESA-N 1 1 324.509 4.431 20 30 DIEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC001197115637 1049723752 /nfs/dbraw/zinc/72/37/52/1049723752.db2.gz NMHMSOSGOSQLSB-OAHLLOKOSA-N 1 1 323.396 4.010 20 30 DIEDMO Cc1cccc(C)c1C[N@H+](Cc1cccc(C#N)n1)CC(C)C ZINC001206392128 1049725586 /nfs/dbraw/zinc/72/55/86/1049725586.db2.gz IRVOCJDPBZASBM-UHFFFAOYSA-N 1 1 307.441 4.228 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccc(OC)cc3)cc2)C1 ZINC001206465048 1049738788 /nfs/dbraw/zinc/73/87/88/1049738788.db2.gz YCHHYNFZOANUDA-KRWDZBQOSA-N 1 1 321.420 4.333 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001197401561 1049746700 /nfs/dbraw/zinc/74/67/00/1049746700.db2.gz BLVXSXXZVJLRFX-KRWDZBQOSA-N 1 1 322.456 4.196 20 30 DIEDMO C=CCCCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001197496477 1049757115 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/nfs/dbraw/zinc/48/72/00/1050487200.db2.gz UUCVPBIWQRVBQT-UHFFFAOYSA-N 1 1 310.445 4.391 20 30 DIEDMO N#CC1(CS[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000574518612 1050491367 /nfs/dbraw/zinc/49/13/67/1050491367.db2.gz OTJSXWIXYKDIPI-KRWDZBQOSA-N 1 1 300.471 4.078 20 30 DIEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000738339833 1050529641 /nfs/dbraw/zinc/52/96/41/1050529641.db2.gz KFUXFGSEGPLYSM-OAHLLOKOSA-N 1 1 324.399 4.086 20 30 DIEDMO CC(C)c1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594519345 1050530069 /nfs/dbraw/zinc/53/00/69/1050530069.db2.gz JUZRTEAZQARELA-UHFFFAOYSA-N 1 1 311.454 4.307 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738312447 1050531146 /nfs/dbraw/zinc/53/11/46/1050531146.db2.gz OQMIWGRZTOYNPG-IEBWSBKVSA-N 1 1 320.436 4.275 20 30 DIEDMO CC(C)(C#N)c1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1 ZINC000594607518 1050541475 /nfs/dbraw/zinc/54/14/75/1050541475.db2.gz WIGGFPIWGLCKAQ-UHFFFAOYSA-N 1 1 310.363 4.262 20 30 DIEDMO 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CCCCCCCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000740873851 1050635174 /nfs/dbraw/zinc/63/51/74/1050635174.db2.gz ISPLVUCMVHEDKT-UHFFFAOYSA-N 1 1 301.434 4.128 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCCC(C)C)CC2 ZINC001170080747 1050635909 /nfs/dbraw/zinc/63/59/09/1050635909.db2.gz LURMEAGVVSETJD-ICSRJNTNSA-N 1 1 320.521 4.234 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CCCC(C)C)C2 ZINC001170080887 1050644434 /nfs/dbraw/zinc/64/44/34/1050644434.db2.gz AOAWTYUBURPAPN-GBESFXJTSA-N 1 1 309.494 4.027 20 30 DIEDMO C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000595622766 1050651381 /nfs/dbraw/zinc/65/13/81/1050651381.db2.gz CNPDAWORSGXIQK-UONOGXRCSA-N 1 1 310.363 4.435 20 30 DIEDMO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616648 1050652902 /nfs/dbraw/zinc/65/29/02/1050652902.db2.gz VGWFWKMXZDKZIL-QWHCGFSZSA-N 1 1 307.235 4.136 20 30 DIEDMO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616648 1050652908 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300.215 4.375 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(F)cc1Br)C(C)(C)C ZINC001137550175 1051250516 /nfs/dbraw/zinc/25/05/16/1051250516.db2.gz OTSDPDPMGLKJAA-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO CC[C@H](C)CON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000793146993 1051253936 /nfs/dbraw/zinc/25/39/36/1051253936.db2.gz XFLHXYVPVUHJOU-UCFFOFKASA-N 1 1 302.462 4.480 20 30 DIEDMO CN(CCC#N)c1ccc(C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000793387981 1051294204 /nfs/dbraw/zinc/29/42/04/1051294204.db2.gz DFTMOOUSKXNOJT-UHFFFAOYSA-N 1 1 311.473 4.049 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172192838 1051316541 /nfs/dbraw/zinc/31/65/41/1051316541.db2.gz GZLVBFRIHBUWTL-GOSISDBHSA-N 1 1 308.450 4.119 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CSc2ccccc2C1 ZINC001172192838 1051316546 /nfs/dbraw/zinc/31/65/46/1051316546.db2.gz GZLVBFRIHBUWTL-GOSISDBHSA-N 1 1 308.450 4.119 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCSc2ccccc2C1 ZINC001172312586 1051337369 /nfs/dbraw/zinc/33/73/69/1051337369.db2.gz HIEODTDBBUYOBJ-HNNXBMFYSA-N 1 1 308.450 4.097 20 30 DIEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311938 1051337662 /nfs/dbraw/zinc/33/76/62/1051337662.db2.gz CNPYRYWNIMZMEB-CQSZACIVSA-N 1 1 314.379 4.290 20 30 DIEDMO C#CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC001172319806 1051340502 /nfs/dbraw/zinc/34/05/02/1051340502.db2.gz RKLHBIDLCVNSCD-VGOFRKELSA-N 1 1 314.432 4.112 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001172320545 1051342079 /nfs/dbraw/zinc/34/20/79/1051342079.db2.gz VOHIGQQMTOZALF-UZLBHIALSA-N 1 1 322.477 4.279 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001172320544 1051342139 /nfs/dbraw/zinc/34/21/39/1051342139.db2.gz VOHIGQQMTOZALF-OXQOHEQNSA-N 1 1 322.477 4.279 20 30 DIEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172320006 1051342172 /nfs/dbraw/zinc/34/21/72/1051342172.db2.gz SOGXHIAWOJKHFJ-CVEARBPZSA-N 1 1 308.425 4.191 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172353904 1051370302 /nfs/dbraw/zinc/37/03/02/1051370302.db2.gz BXNXVCIDTFZWCD-MSOLQXFVSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001172357212 1051372205 /nfs/dbraw/zinc/37/22/05/1051372205.db2.gz JHNXUOVAUGATFF-QZTJIDSGSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001172356894 1051372816 /nfs/dbraw/zinc/37/28/16/1051372816.db2.gz ZQHPCPPTYGPNBZ-HKUYNNGSSA-N 1 1 308.510 4.260 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001172362116 1051373761 /nfs/dbraw/zinc/37/37/61/1051373761.db2.gz SNAONYMLODRANX-SQNIBIBYSA-N 1 1 308.510 4.068 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](CC)CC(C)C)[C@H]2CC ZINC001172399404 1051398169 /nfs/dbraw/zinc/39/81/69/1051398169.db2.gz GZEHBPKKTULLSI-BJLQDIEVSA-N 1 1 320.521 4.233 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](CC)CC(C)C)[C@@H]2CC ZINC001172399407 1051398852 /nfs/dbraw/zinc/39/88/52/1051398852.db2.gz GZEHBPKKTULLSI-NSHGMRRFSA-N 1 1 320.521 4.233 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001172500829 1051421137 /nfs/dbraw/zinc/42/11/37/1051421137.db2.gz AXDZNRDMQHAPTC-CHWSQXEVSA-N 1 1 321.262 4.278 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501775 1051420579 /nfs/dbraw/zinc/42/05/79/1051420579.db2.gz JZCPYQZRZYQJBD-GBESFXJTSA-N 1 1 322.537 4.458 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001172500832 1051421076 /nfs/dbraw/zinc/42/10/76/1051421076.db2.gz AXDZNRDMQHAPTC-OLZOCXBDSA-N 1 1 321.262 4.278 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172507779 1051424170 /nfs/dbraw/zinc/42/41/70/1051424170.db2.gz BLSIYEAUIYMANP-HOTGVXAUSA-N 1 1 305.453 4.465 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1Cc2ccc(Br)cc2C[C@H]1C ZINC001172506377 1051424247 /nfs/dbraw/zinc/42/42/47/1051424247.db2.gz SGPBFLVJDQVVRJ-CHWSQXEVSA-N 1 1 321.262 4.278 20 30 DIEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001172509127 1051426985 /nfs/dbraw/zinc/42/69/85/1051426985.db2.gz SZZKEEOZYUMJHP-MJGOQNOKSA-N 1 1 308.510 4.118 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C)c(F)c1 ZINC001168825738 1051446612 /nfs/dbraw/zinc/44/66/12/1051446612.db2.gz LMNPJRUNWPPFEZ-SFHVURJKSA-N 1 1 300.352 4.386 20 30 DIEDMO CC[N@@H+](CCC#N)[C@H](C)CCc1c(F)cc(Cl)cc1F ZINC001172575739 1051448441 /nfs/dbraw/zinc/44/84/41/1051448441.db2.gz YEXRYQOKAJPGAN-LLVKDONJSA-N 1 1 300.780 4.175 20 30 DIEDMO Cc1ccc(F)c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1F ZINC001168873620 1051461009 /nfs/dbraw/zinc/46/10/09/1051461009.db2.gz QDTJMDDHXMDFQB-UHFFFAOYSA-N 1 1 324.374 4.434 20 30 DIEDMO Cc1ccc(F)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1F ZINC001168873620 1051461011 /nfs/dbraw/zinc/46/10/11/1051461011.db2.gz QDTJMDDHXMDFQB-UHFFFAOYSA-N 1 1 324.374 4.434 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790739 1051508946 /nfs/dbraw/zinc/50/89/46/1051508946.db2.gz DOGDCQKDGWRNKV-OALUTQOASA-N 1 1 315.457 4.187 20 30 DIEDMO Nc1ccccc1C(NO)=[NH+]c1ccc(F)c(-c2ccccc2)c1 ZINC001215995864 1051512324 /nfs/dbraw/zinc/51/23/24/1051512324.db2.gz UXHWCRFYCHATEA-UHFFFAOYSA-N 1 1 321.355 4.132 20 30 DIEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172866081 1051523976 /nfs/dbraw/zinc/52/39/76/1051523976.db2.gz GCMPZXFSLZQQRF-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1ccc(C)c(C#N)c1)[C@@H]2C ZINC001169162022 1051539839 /nfs/dbraw/zinc/53/98/39/1051539839.db2.gz AOUBTOCGQPFVQL-JKSUJKDBSA-N 1 1 320.436 4.383 20 30 DIEDMO C=CCN1CCC([NH2+][C@H](C)c2cc(Cl)sc2Cl)CC1 ZINC000177908186 1051555718 /nfs/dbraw/zinc/55/57/18/1051555718.db2.gz YFKSCIRPKJQKQO-SNVBAGLBSA-N 1 1 319.301 4.356 20 30 DIEDMO C=CC[N@@H+]([C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(C)(C)C ZINC001172911623 1051581412 /nfs/dbraw/zinc/58/14/12/1051581412.db2.gz DBLGTUCHDFTFHC-INIZCTEOSA-N 1 1 302.418 4.129 20 30 DIEDMO C[C@](C#N)(Nc1cc2[nH+]c[nH]c2cc1F)c1ccccc1Cl ZINC001169390343 1051605598 /nfs/dbraw/zinc/60/55/98/1051605598.db2.gz GIAAEHZFGDBQOY-MRXNPFEDSA-N 1 1 314.751 4.206 20 30 DIEDMO Cc1cc([NH+]2CCCCC2)ccc1NC=CC(=O)C(F)(F)F ZINC001169480453 1051621850 /nfs/dbraw/zinc/62/18/50/1051621850.db2.gz JMXBTJRGMSIMMM-BQYQJAHWSA-N 1 1 312.335 4.042 20 30 DIEDMO C=CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173231619 1051641380 /nfs/dbraw/zinc/64/13/80/1051641380.db2.gz NEFLDXCNVLUIGY-HNNXBMFYSA-N 1 1 302.418 4.347 20 30 DIEDMO CCc1ccc(C[C@H](C)[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001173253063 1051654986 /nfs/dbraw/zinc/65/49/86/1051654986.db2.gz PRRVFPHTCMJUKC-INIZCTEOSA-N 1 1 304.437 4.110 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@@H+]1CCc2nncn2CC1 ZINC001173310680 1051683666 /nfs/dbraw/zinc/68/36/66/1051683666.db2.gz XUZYLNNSCJZTTR-KRWDZBQOSA-N 1 1 306.498 4.056 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001169865067 1051721945 /nfs/dbraw/zinc/72/19/45/1051721945.db2.gz XKBYAMDSHFSCFT-SWLSCSKDSA-N 1 1 300.229 4.067 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2cccc(F)c2)CC1 ZINC001173322356 1051692350 /nfs/dbraw/zinc/69/23/50/1051692350.db2.gz CHEZQCZCAQVFRR-CTWPCTMYSA-N 1 1 303.421 4.476 20 30 DIEDMO C=CCOC1CCC([N@@H+](CC)CCc2ccc(OC)cc2)CC1 ZINC001173322411 1051692851 /nfs/dbraw/zinc/69/28/51/1051692851.db2.gz DPPCVULVPWGDRC-UHFFFAOYSA-N 1 1 317.473 4.073 20 30 DIEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC001173326432 1051693434 /nfs/dbraw/zinc/69/34/34/1051693434.db2.gz HLSYXWAHYBSUGR-IPJUCJBFSA-N 1 1 303.421 4.129 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2c2ccccc2F)CC1 ZINC001173327257 1051695805 /nfs/dbraw/zinc/69/58/05/1051695805.db2.gz KVWPRZLBWXBZQF-LADRWXRNSA-N 1 1 303.421 4.476 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@@H](C)C(C)(C)C#N)cc1 ZINC000805901445 1051696653 /nfs/dbraw/zinc/69/66/53/1051696653.db2.gz LHVUZUZXJXWPKE-HNNXBMFYSA-N 1 1 316.445 4.014 20 30 DIEDMO N#CCC1CCC([N@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001173336868 1051697088 /nfs/dbraw/zinc/69/70/88/1051697088.db2.gz PIVDIWXZRJYFLP-UYJHFMRCSA-N 1 1 318.848 4.186 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCOC[C@H]2c2ccc(Cl)cc2)CC1 ZINC001173336868 1051697093 /nfs/dbraw/zinc/69/70/93/1051697093.db2.gz PIVDIWXZRJYFLP-UYJHFMRCSA-N 1 1 318.848 4.186 20 30 DIEDMO C=CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000766856229 1051710125 /nfs/dbraw/zinc/71/01/25/1051710125.db2.gz QPMNLMSTGXUPSX-UHFFFAOYSA-N 1 1 302.462 4.227 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843500 1051711480 /nfs/dbraw/zinc/71/14/80/1051711480.db2.gz FKETYCBAIJXPSD-OALUTQOASA-N 1 1 301.474 4.047 20 30 DIEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843664 1051712250 /nfs/dbraw/zinc/71/22/50/1051712250.db2.gz HFHUVXRNBIQWQG-CVEARBPZSA-N 1 1 309.400 4.065 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001169853656 1051713494 /nfs/dbraw/zinc/71/34/94/1051713494.db2.gz GOUMYNMABSSAAJ-HNAYVOBHSA-N 1 1 308.400 4.384 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CCCCC(=O)OC ZINC001173455614 1051729649 /nfs/dbraw/zinc/72/96/49/1051729649.db2.gz RGOYIJGKTBPQSO-QGZVFWFLSA-N 1 1 303.446 4.187 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC001169952283 1051733289 /nfs/dbraw/zinc/73/32/89/1051733289.db2.gz CTIQKXCKHSUMOC-UHFFFAOYSA-N 1 1 309.409 4.052 20 30 DIEDMO C#CCCC[N@@H+](C)CCCCCc1cc(-c2ccccc2)no1 ZINC000766896336 1051737906 /nfs/dbraw/zinc/73/79/06/1051737906.db2.gz RHJOCDUHDPDWCJ-UHFFFAOYSA-N 1 1 310.441 4.400 20 30 DIEDMO C#CCCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000766914043 1051741705 /nfs/dbraw/zinc/74/17/05/1051741705.db2.gz UAWRNMYQRUVWHP-UHFFFAOYSA-N 1 1 306.384 4.113 20 30 DIEDMO CC#CCCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000185196623 1051757642 /nfs/dbraw/zinc/75/76/42/1051757642.db2.gz WKOZNWNMKUDSJD-UHFFFAOYSA-N 1 1 323.440 4.187 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](OCc3ccccc3)C2)CC1 ZINC001173599021 1051757739 /nfs/dbraw/zinc/75/77/39/1051757739.db2.gz YFSGTUVVNJFKNI-IOJLRTSASA-N 1 1 312.457 4.140 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Sc3ccncc3)C2)CC1 ZINC001173599900 1051758312 /nfs/dbraw/zinc/75/83/12/1051758312.db2.gz SCBJMKMYXHOHNV-NXYGQSRBSA-N 1 1 315.486 4.111 20 30 DIEDMO COc1ccc(C2=CC[N@H+](C3CCC(C)(C#N)CC3)CC2)cc1 ZINC001173600841 1051758633 /nfs/dbraw/zinc/75/86/33/1051758633.db2.gz KHKHHCPYEWXTKM-UHFFFAOYSA-N 1 1 310.441 4.257 20 30 DIEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)CC1 ZINC001173601694 1051760547 /nfs/dbraw/zinc/76/05/47/1051760547.db2.gz ZHMVQFZKOZXFFL-NXYGQSRBSA-N 1 1 318.461 4.465 20 30 DIEDMO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(N2CCCCC2)cc1 ZINC000767336558 1051786987 /nfs/dbraw/zinc/78/69/87/1051786987.db2.gz SAQQKWMZJUWKPI-UHFFFAOYSA-N 1 1 318.424 4.385 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000187371821 1051843704 /nfs/dbraw/zinc/84/37/04/1051843704.db2.gz RDUDFPAAPPBAQJ-INIZCTEOSA-N 1 1 304.365 4.305 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)c(F)c1 ZINC000187371835 1051843787 /nfs/dbraw/zinc/84/37/87/1051843787.db2.gz 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320.436 4.156 20 30 DIEDMO CC(C)[NH+]1CC(Oc2ccc(/C=C/C(=O)c3ccccc3)cc2)C1 ZINC001228497738 1053119167 /nfs/dbraw/zinc/11/91/67/1053119167.db2.gz IZPQLKCCOXYHHQ-JLHYYAGUSA-N 1 1 321.420 4.054 20 30 DIEDMO C=CCCC1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCC1 ZINC000617417726 1053133861 /nfs/dbraw/zinc/13/38/61/1053133861.db2.gz DARGKTQXFFMDSC-INIZCTEOSA-N 1 1 317.477 4.039 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccccc2C=Nc2ccccc2)CC1 ZINC001228564605 1053135514 /nfs/dbraw/zinc/13/55/14/1053135514.db2.gz MAZPCCDKLRHCKB-LJQANCHMSA-N 1 1 308.425 4.300 20 30 DIEDMO COc1cccc2c(C[N@@H+](C)Cc3cc(C#N)cs3)cccc12 ZINC001474726566 1053187314 /nfs/dbraw/zinc/18/73/14/1053187314.db2.gz PFYPPXORYIMCGP-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO C=C1CCC(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC001127629244 1053215287 /nfs/dbraw/zinc/21/52/87/1053215287.db2.gz WUZIUZCMIKTTIQ-UHFFFAOYSA-N 1 1 312.457 4.008 20 30 DIEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cc3ccccc3[nH]2)c1 ZINC001319829014 1053278223 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C#Cc1cccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c1 ZINC001231660553 1053826716 /nfs/dbraw/zinc/82/67/16/1053826716.db2.gz HYHGYGVWFQDTPA-IBGZPJMESA-N 1 1 311.425 4.174 20 30 DIEDMO C#Cc1cccc(C[N@H+]2CCSC[C@H]2c2ccc(F)cc2)c1 ZINC001231662920 1053827013 /nfs/dbraw/zinc/82/70/13/1053827013.db2.gz LDHQGHCILXGTQQ-IBGZPJMESA-N 1 1 311.425 4.097 20 30 DIEDMO C#Cc1cccc(C[N@@H+]2CCSC[C@H]2c2ccc(F)cc2)c1 ZINC001231662920 1053827025 /nfs/dbraw/zinc/82/70/25/1053827025.db2.gz LDHQGHCILXGTQQ-IBGZPJMESA-N 1 1 311.425 4.097 20 30 DIEDMO C#Cc1cccc(C[N@@H+](CCCCCCO)Cc2ccccc2)c1 ZINC001231660916 1053827164 /nfs/dbraw/zinc/82/71/64/1053827164.db2.gz LIYQTCWNAJXRFH-UHFFFAOYSA-N 1 1 321.464 4.223 20 30 DIEDMO COCc1ccc(C[N@H+](CCC#N)C2CCCCCCC2)o1 ZINC001231690207 1053832937 /nfs/dbraw/zinc/83/29/37/1053832937.db2.gz AAYNRFSYDZSSJT-UHFFFAOYSA-N 1 1 304.434 4.255 20 30 DIEDMO COCc1ccc(C[N@@H+](CCC#N)C2CCCCCCC2)o1 ZINC001231690207 1053832957 /nfs/dbraw/zinc/83/29/57/1053832957.db2.gz AAYNRFSYDZSSJT-UHFFFAOYSA-N 1 1 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N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001232609071 1054080804 /nfs/dbraw/zinc/08/08/04/1054080804.db2.gz IIAHUPKVVRNINX-OAHLLOKOSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001232609478 1054083864 /nfs/dbraw/zinc/08/38/64/1054083864.db2.gz GFJRESSADCRUHU-IYBDPMFKSA-N 1 1 308.812 4.298 20 30 DIEDMO N#CCC[N@@H+](Cc1cncc2cnccc21)C1CCCCCCC1 ZINC001232651814 1054092007 /nfs/dbraw/zinc/09/20/07/1054092007.db2.gz WRLTTYLTNARSOK-UHFFFAOYSA-N 1 1 322.456 4.458 20 30 DIEDMO C[N@@H+](Cc1cc2ccc(Cl)cc2[nH]1)Cc1cccc(C#N)c1 ZINC001232735542 1054110502 /nfs/dbraw/zinc/11/05/02/1054110502.db2.gz YJKTUSDATVMPEO-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)s1 ZINC001232846382 1054129795 /nfs/dbraw/zinc/12/97/95/1054129795.db2.gz IQZGGZQOZXFACQ-UHFFFAOYSA-N 1 1 324.371 4.313 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)co1)Cc1ccccc1 ZINC001232856924 1054133526 /nfs/dbraw/zinc/13/35/26/1054133526.db2.gz 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C=CCCCC[N@H+](C)Cc1ccc(Cl)c(Br)n1 ZINC001233093021 1054186463 /nfs/dbraw/zinc/18/64/63/1054186463.db2.gz DELOLSLBXNEFMD-UHFFFAOYSA-N 1 1 317.658 4.286 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc3c(C)ccc(C)c3nc2Cl)C1 ZINC001233137647 1054191503 /nfs/dbraw/zinc/19/15/03/1054191503.db2.gz XAEXDENEMGYVRU-HNNXBMFYSA-N 1 1 312.844 4.350 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001334782919 1054199375 /nfs/dbraw/zinc/19/93/75/1054199375.db2.gz MNXRTNBIMXGYAA-JMLCCBQJSA-N 1 1 318.848 4.043 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC001334782919 1054199384 /nfs/dbraw/zinc/19/93/84/1054199384.db2.gz MNXRTNBIMXGYAA-JMLCCBQJSA-N 1 1 318.848 4.043 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233230386 1054209718 /nfs/dbraw/zinc/20/97/18/1054209718.db2.gz ZYCIGPOOWYNAJL-UHFFFAOYSA-N 1 1 323.436 4.369 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(OC)c1O ZINC001233290230 1054225020 /nfs/dbraw/zinc/22/50/20/1054225020.db2.gz 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CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001442105505 1054409669 /nfs/dbraw/zinc/40/96/69/1054409669.db2.gz LZYCQZYBCKFLIM-GUDVDZBRSA-N 1 1 322.537 4.316 20 30 DIEDMO COc1cccc2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)oc21 ZINC001342063072 1054414446 /nfs/dbraw/zinc/41/44/46/1054414446.db2.gz IUYISJGRTGPNAE-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO C=CC[C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000172322155 1054423154 /nfs/dbraw/zinc/42/31/54/1054423154.db2.gz XTBKBPKZUGKYFU-KRWDZBQOSA-N 1 1 322.452 4.013 20 30 DIEDMO CC[N@H+](CCC#N)Cc1ccc(N(C)c2ccccc2OC)cc1 ZINC001234213624 1054458070 /nfs/dbraw/zinc/45/80/70/1054458070.db2.gz NJFLBOBKSYKYGR-UHFFFAOYSA-N 1 1 323.440 4.199 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1ccc(N(C)c2ccccc2OC)cc1 ZINC001234213624 1054458081 /nfs/dbraw/zinc/45/80/81/1054458081.db2.gz NJFLBOBKSYKYGR-UHFFFAOYSA-N 1 1 323.440 4.199 20 30 DIEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CCCC1 ZINC001443907815 1054462734 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CCc1cc(C[N@@H+](C)[C@H](C)c2ccc(OC)cc2)ccc1C#N ZINC001238779053 1055751291 /nfs/dbraw/zinc/75/12/91/1055751291.db2.gz SVTAULXIOZGVES-OAHLLOKOSA-N 1 1 308.425 4.322 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001566428956 1055773429 /nfs/dbraw/zinc/77/34/29/1055773429.db2.gz OWXZASXBMOSGGR-SWNWVQGVSA-N 1 1 308.510 4.236 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001566474468 1055775667 /nfs/dbraw/zinc/77/56/67/1055775667.db2.gz BRTYJHAEXOTFHO-BFRYPLHYSA-N 1 1 308.510 4.234 20 30 DIEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001597032264 1055778359 /nfs/dbraw/zinc/77/83/59/1055778359.db2.gz PIKYPXNHSHQZND-WNRNVDISSA-N 1 1 310.526 4.361 20 30 DIEDMO C=C(CC(C)C)C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC001566806685 1055782691 /nfs/dbraw/zinc/78/26/91/1055782691.db2.gz RLLSUBCZQZTMCJ-UHFFFAOYSA-N 1 1 322.537 4.195 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cccc(CCO)c2)cc1 ZINC001239035703 1055828124 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C=C(Cl)C[N@@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001620665193 1055980096 /nfs/dbraw/zinc/98/00/96/1055980096.db2.gz YKPFVCQOXJEZEZ-UHFFFAOYSA-N 1 1 306.881 4.116 20 30 DIEDMO C=C(Cl)C[N@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001620665193 1055980101 /nfs/dbraw/zinc/98/01/01/1055980101.db2.gz YKPFVCQOXJEZEZ-UHFFFAOYSA-N 1 1 306.881 4.116 20 30 DIEDMO C#CC[N@H+](C/C(C)=C\c1ccccc1COC)Cc1ccccc1 ZINC001621323531 1056030098 /nfs/dbraw/zinc/03/00/98/1056030098.db2.gz HWCLANCBFUTHCP-CYVLTUHYSA-N 1 1 319.448 4.372 20 30 DIEDMO C[C@@H]1CC[C@@H](Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1 ZINC001621341514 1056050259 /nfs/dbraw/zinc/05/02/59/1056050259.db2.gz QHBBWTYUOIXZPG-DYESRHJHSA-N 1 1 319.452 4.218 20 30 DIEDMO C=C(Br)C[NH2+][C@@H](CC)c1ccccc1OC(F)F ZINC000765778534 1056071005 /nfs/dbraw/zinc/07/10/05/1056071005.db2.gz IJVKCOATTRGVGD-NSHDSACASA-N 1 1 320.177 4.237 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC001540963904 1056086773 /nfs/dbraw/zinc/08/67/73/1056086773.db2.gz 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CC(C)CCOC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001615362864 1056499185 /nfs/dbraw/zinc/49/91/85/1056499185.db2.gz FTZITSXGTXSYFQ-UHFFFAOYSA-N 1 1 320.864 4.239 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001615405514 1056504847 /nfs/dbraw/zinc/50/48/47/1056504847.db2.gz FWUUBDHFXQDCEY-IBGZPJMESA-N 1 1 320.436 4.337 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCO[C@H](c2ccc(OC)cc2)C1)C(C)(C)C ZINC001168673160 1056505625 /nfs/dbraw/zinc/50/56/25/1056505625.db2.gz QRWTVYZXPIRWSU-AEFFLSMTSA-N 1 1 303.446 4.202 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC001544857032 1056515032 /nfs/dbraw/zinc/51/50/32/1056515032.db2.gz HIDJFBQUSLWIDH-OKZBNKHCSA-N 1 1 310.526 4.314 20 30 DIEDMO CCCCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001585355011 1056536897 /nfs/dbraw/zinc/53/68/97/1056536897.db2.gz NDBOCLLMIDEZCO-IBGZPJMESA-N 1 1 316.489 4.128 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccnc2OCC)cc1 ZINC001240497594 1056537386 /nfs/dbraw/zinc/53/73/86/1056537386.db2.gz 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C=CCCCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC001616779450 1056714874 /nfs/dbraw/zinc/71/48/74/1056714874.db2.gz ZYIANNNXBCFOAK-QGZVFWFLSA-N 1 1 316.493 4.388 20 30 DIEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC001616779450 1056714887 /nfs/dbraw/zinc/71/48/87/1056714887.db2.gz ZYIANNNXBCFOAK-QGZVFWFLSA-N 1 1 316.493 4.388 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(F)c(F)c1 ZINC000922011607 1056736232 /nfs/dbraw/zinc/73/62/32/1056736232.db2.gz KQCBFXLTGJDYJM-GOSISDBHSA-N 1 1 317.383 4.293 20 30 DIEDMO CCCCCCCCCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001586779741 1056805068 /nfs/dbraw/zinc/80/50/68/1056805068.db2.gz NNUBEHSVXJJRRW-QGZVFWFLSA-N 1 1 310.526 4.364 20 30 DIEDMO CCCCCCCCCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001586779740 1056805385 /nfs/dbraw/zinc/80/53/85/1056805385.db2.gz NNUBEHSVXJJRRW-KRWDZBQOSA-N 1 1 310.526 4.364 20 30 DIEDMO C=CCCN(C[C@@H]1CCCC[N@@H+]1C(C)C)OCc1ccccc1 ZINC001617331528 1056814810 /nfs/dbraw/zinc/81/48/10/1056814810.db2.gz JVCKHJBBMZACCD-FQEVSTJZSA-N 1 1 316.489 4.259 20 30 DIEDMO CC(C)(C)c1coc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000922145808 1056841673 /nfs/dbraw/zinc/84/16/73/1056841673.db2.gz VYMXHZNWTMVDHU-INIZCTEOSA-N 1 1 311.429 4.497 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2ccnc(Br)c2)CCCC1(C)C ZINC001617604794 1056856045 /nfs/dbraw/zinc/85/60/45/1056856045.db2.gz WVTIZWXREMLUBS-CQSZACIVSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2ncccc2Br)CCCC1(C)C ZINC001617603724 1056856937 /nfs/dbraw/zinc/85/69/37/1056856937.db2.gz DJPKPYUFDXWDMT-HNNXBMFYSA-N 1 1 323.278 4.411 20 30 DIEDMO CCCCCCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001617742107 1056876295 /nfs/dbraw/zinc/87/62/95/1056876295.db2.gz JFAQPXUFRCNUMI-GOSISDBHSA-N 1 1 324.509 4.434 20 30 DIEDMO C=C(C)C[NH+]1CCN(c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC001617823037 1056889671 /nfs/dbraw/zinc/88/96/71/1056889671.db2.gz ZEUINCDKVCKMFX-UHFFFAOYSA-N 1 1 318.770 4.057 20 30 DIEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618084329 1056921686 /nfs/dbraw/zinc/92/16/86/1056921686.db2.gz RRXSDCKAPCGTAW-GDBMZVCRSA-N 1 1 320.274 4.115 20 30 DIEDMO Fc1ccccc1[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001618122117 1056925712 /nfs/dbraw/zinc/92/57/12/1056925712.db2.gz HLPVPOGVRVAETF-MRXNPFEDSA-N 1 1 313.803 4.320 20 30 DIEDMO Fc1ccccc1[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001618122117 1056925724 /nfs/dbraw/zinc/92/57/24/1056925724.db2.gz HLPVPOGVRVAETF-MRXNPFEDSA-N 1 1 313.803 4.320 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC001618195963 1056932305 /nfs/dbraw/zinc/93/23/05/1056932305.db2.gz GUENIHVHWGKFJK-LZJOCLMNSA-N 1 1 307.412 4.444 20 30 DIEDMO C=C(CC)C[N@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001618222874 1056937889 /nfs/dbraw/zinc/93/78/89/1056937889.db2.gz WAABJWZINLHDGH-SJORKVTESA-N 1 1 322.493 4.064 20 30 DIEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001618235913 1056939240 /nfs/dbraw/zinc/93/92/40/1056939240.db2.gz ZDMXYWXJAMSRJI-OAQYLSRUSA-N 1 1 307.437 4.039 20 30 DIEDMO N#Cc1cc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)ccn1 ZINC001241189596 1056951103 /nfs/dbraw/zinc/95/11/03/1056951103.db2.gz WXUUGSUHLCSOHN-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C2(C#N)CCCC2)cc1 ZINC001241243533 1056977627 /nfs/dbraw/zinc/97/76/27/1056977627.db2.gz JOQXEOHECZWEMK-UHFFFAOYSA-N 1 1 305.425 4.458 20 30 DIEDMO COCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000154372875 1057027973 /nfs/dbraw/zinc/02/79/73/1057027973.db2.gz VHNJPVNSDPTPFF-UHFFFAOYSA-N 1 1 308.425 4.115 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000093512933 1057038057 /nfs/dbraw/zinc/03/80/57/1057038057.db2.gz DDMQHWCVXHOUBK-GOSISDBHSA-N 1 1 311.454 4.023 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000154907228 1057040074 /nfs/dbraw/zinc/04/00/74/1057040074.db2.gz MMOKCXZPKNVXCF-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000154907228 1057040079 /nfs/dbraw/zinc/04/00/79/1057040079.db2.gz MMOKCXZPKNVXCF-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO N#Cc1ccc(-c2cccc3c2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC001241428590 1057047697 /nfs/dbraw/zinc/04/76/97/1057047697.db2.gz OJZGCFGVSWXXEA-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)OCCN3)cc1 ZINC001241466747 1057056759 /nfs/dbraw/zinc/05/67/59/1057056759.db2.gz OOYIDNHFIDZPIW-HXUWFJFHSA-N 1 1 320.436 4.481 20 30 DIEDMO Cc1cc(F)cc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1C#N ZINC001241504275 1057074831 /nfs/dbraw/zinc/07/48/31/1057074831.db2.gz QTLOIILINDROBM-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO COc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccc1CC#N ZINC001241504656 1057075258 /nfs/dbraw/zinc/07/52/58/1057075258.db2.gz XMXYQJKXGXUZPQ-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO N#CCc1ccc(F)c(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241506292 1057077365 /nfs/dbraw/zinc/07/73/65/1057077365.db2.gz AWPRSBDVXKDBOC-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(OC)nc2OC)cc1 ZINC001241579161 1057095888 /nfs/dbraw/zinc/09/58/88/1057095888.db2.gz LIBANEKKGDGMQY-SFHVURJKSA-N 1 1 324.424 4.089 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)nc2OC)cc1 ZINC001241579160 1057095947 /nfs/dbraw/zinc/09/59/47/1057095947.db2.gz LIBANEKKGDGMQY-GOSISDBHSA-N 1 1 324.424 4.089 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(F)cc(C#N)c2)nc1 ZINC001241657143 1057124943 /nfs/dbraw/zinc/12/49/43/1057124943.db2.gz AGISFOPZZFPRAE-IBGZPJMESA-N 1 1 309.388 4.306 20 30 DIEDMO C=CC[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000625701906 1057192220 /nfs/dbraw/zinc/19/22/20/1057192220.db2.gz CJBODFGDFYFLDP-GOSISDBHSA-N 1 1 314.473 4.229 20 30 DIEDMO Oc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)cc1 ZINC000674248822 1057222129 /nfs/dbraw/zinc/22/21/29/1057222129.db2.gz BZVVYBQUKSCTBP-IBGZPJMESA-N 1 1 311.812 4.234 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000674249585 1057222295 /nfs/dbraw/zinc/22/22/95/1057222295.db2.gz BGVZYUTUADXMTD-UHFFFAOYSA-N 1 1 323.280 4.331 20 30 DIEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC(F)(F)F ZINC000674249585 1057222301 /nfs/dbraw/zinc/22/23/01/1057222301.db2.gz BGVZYUTUADXMTD-UHFFFAOYSA-N 1 1 323.280 4.331 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)c(F)c1 ZINC000171481703 1057230112 /nfs/dbraw/zinc/23/01/12/1057230112.db2.gz FEUWKMUDXVDOGM-UHFFFAOYSA-N 1 1 324.330 4.386 20 30 DIEDMO C=CCCc1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241988522 1057231693 /nfs/dbraw/zinc/23/16/93/1057231693.db2.gz MSPRGMYTOYXMPY-UHFFFAOYSA-N 1 1 307.437 4.304 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)c(Cl)c1 ZINC000171982747 1057245441 /nfs/dbraw/zinc/24/54/41/1057245441.db2.gz PJTYJOZZUJYVOC-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc(C#N)cc1 ZINC000173847812 1057344465 /nfs/dbraw/zinc/34/44/65/1057344465.db2.gz VSQLPUMCCFIJBO-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)o3)oc21 ZINC000174247822 1057354347 /nfs/dbraw/zinc/35/43/47/1057354347.db2.gz GHUFBKLMXYTGPK-GFCCVEGCSA-N 1 1 310.353 4.147 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(C)cc(C#N)c2)nc1 ZINC001242478648 1057378089 /nfs/dbraw/zinc/37/80/89/1057378089.db2.gz IYLGDFNDCODZEZ-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2cc(C#N)ccc2C)nc1 ZINC001242544401 1057400260 /nfs/dbraw/zinc/40/02/60/1057400260.db2.gz ZAEXNJVNHRZTNM-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO C=C(CNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000675783471 1057414293 /nfs/dbraw/zinc/41/42/93/1057414293.db2.gz ICMCFJCYZPZECR-DYESRHJHSA-N 1 1 312.501 4.333 20 30 DIEDMO Cc1ccc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)c(C#N)c1 ZINC001242591193 1057416997 /nfs/dbraw/zinc/41/69/97/1057416997.db2.gz KBILVQLNCCXGFP-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cncc(OCC)c2)cc1 ZINC001242660097 1057438251 /nfs/dbraw/zinc/43/82/51/1057438251.db2.gz GQJVVEDSVHPCAX-HXUWFJFHSA-N 1 1 308.425 4.470 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2C)cc1 ZINC001242670744 1057441866 /nfs/dbraw/zinc/44/18/66/1057441866.db2.gz RURKGZNCYWBBKA-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO C[C@H]1CC(=O)C=C(c2ccc(F)c(C[NH+]3CCCCC3)c2)C1 ZINC001242743513 1057465246 /nfs/dbraw/zinc/46/52/46/1057465246.db2.gz UMNDDSFJOPXRDH-CQSZACIVSA-N 1 1 301.405 4.194 20 30 DIEDMO Cc1cc(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)ccc1C#N ZINC001242766992 1057468400 /nfs/dbraw/zinc/46/84/00/1057468400.db2.gz ZHMMKHUIGFJIGB-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000676639096 1057490644 /nfs/dbraw/zinc/49/06/44/1057490644.db2.gz FWZVTPVWCFIYFZ-PZJWPPBQSA-N 1 1 312.501 4.233 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(CO)c2C)cc1 ZINC001243016833 1057547722 /nfs/dbraw/zinc/54/77/22/1057547722.db2.gz NAMBFVSLMZPKPY-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO CCCCCCCCCCCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001129292733 1057560765 /nfs/dbraw/zinc/56/07/65/1057560765.db2.gz RIAAMNDPFKZFNW-FQEVSTJZSA-N 1 1 322.537 4.462 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000611153438 1057584301 /nfs/dbraw/zinc/58/43/01/1057584301.db2.gz OCDOEZBJXUZIGJ-HXUWFJFHSA-N 1 1 305.425 4.414 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(Cl)c(F)c1 ZINC000611229064 1057585262 /nfs/dbraw/zinc/58/52/62/1057585262.db2.gz BDUNVXHDBONMBR-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2cccc(OCCCC#N)c2)C2CC2)o1 ZINC000611254291 1057586100 /nfs/dbraw/zinc/58/61/00/1057586100.db2.gz RFGHDNIDHGJUPU-UHFFFAOYSA-N 1 1 324.424 4.435 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254280 1057586190 /nfs/dbraw/zinc/58/61/90/1057586190.db2.gz OTXYZQGHJUBHEB-GOSISDBHSA-N 1 1 318.420 4.089 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2nccc3ccccc32)C2CC2)cc1 ZINC000611254277 1057586294 /nfs/dbraw/zinc/58/62/94/1057586294.db2.gz MYTUDINWBQFHEU-UHFFFAOYSA-N 1 1 313.404 4.271 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCOc3ccccc32)C2CC2)cc1 ZINC000611254281 1057586545 /nfs/dbraw/zinc/58/65/45/1057586545.db2.gz OTXYZQGHJUBHEB-SFHVURJKSA-N 1 1 318.420 4.089 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOc2ccccc21 ZINC000611254808 1057587468 /nfs/dbraw/zinc/58/74/68/1057587468.db2.gz UBZXIYCRYCPGPY-LJQANCHMSA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc(C#N)c1 ZINC000611386208 1057594222 /nfs/dbraw/zinc/59/42/22/1057594222.db2.gz FVCGPJIIFKEXIM-LBPRGKRZSA-N 1 1 309.394 4.126 20 30 DIEDMO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc(C#N)c1 ZINC000611387310 1057594480 /nfs/dbraw/zinc/59/44/80/1057594480.db2.gz KCQOSWTWKGBUHJ-CYBMUJFWSA-N 1 1 321.355 4.203 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1cccc(C#N)c1 ZINC000611387702 1057594630 /nfs/dbraw/zinc/59/46/30/1057594630.db2.gz FIDKHUMWCGWFNZ-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(-c2ccccc2)no1)c1cccc(C#N)c1 ZINC000611387480 1057594803 /nfs/dbraw/zinc/59/48/03/1057594803.db2.gz PAUQMXPNUIJNIS-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC000611376652 1057595339 /nfs/dbraw/zinc/59/53/39/1057595339.db2.gz OWTDLVWNHNKWJJ-VIFPVBQESA-N 1 1 324.186 4.250 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000611394270 1057596162 /nfs/dbraw/zinc/59/61/62/1057596162.db2.gz ALFFZELTLWNNQC-HXUWFJFHSA-N 1 1 320.440 4.037 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(Cl)c1Cl ZINC000611396283 1057597348 /nfs/dbraw/zinc/59/73/48/1057597348.db2.gz YBLGNZFWQFETJX-SNVBAGLBSA-N 1 1 306.196 4.111 20 30 DIEDMO CCC[N@H+]1Cc2cccc(N=Cc3ccc(OCC)cc3O)c2C1 ZINC000727265555 1057645391 /nfs/dbraw/zinc/64/53/91/1057645391.db2.gz TZXMCTVCLHROSX-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccc(C4(C#N)CC4)cc3)cc2)C1 ZINC001243424992 1057680395 /nfs/dbraw/zinc/68/03/95/1057680395.db2.gz ZNQKADCGGAMLIE-LJQANCHMSA-N 1 1 302.421 4.328 20 30 DIEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OCC#N)cc1 ZINC000731212101 1057738425 /nfs/dbraw/zinc/73/84/25/1057738425.db2.gz SLIQXQICVZCTEX-UHFFFAOYSA-N 1 1 324.424 4.010 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cn1ccc(-c2ccsc2)n1 ZINC000731656752 1057750321 /nfs/dbraw/zinc/75/03/21/1057750321.db2.gz HZIDXBASHUOZMT-UHFFFAOYSA-N 1 1 309.438 4.257 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)Cn1ccc(-c2ccsc2)n1 ZINC000731656752 1057750322 /nfs/dbraw/zinc/75/03/22/1057750322.db2.gz HZIDXBASHUOZMT-UHFFFAOYSA-N 1 1 309.438 4.257 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(C)cc(CO)c2)cc1 ZINC001243704545 1057758026 /nfs/dbraw/zinc/75/80/26/1057758026.db2.gz OAKQESHFNULCNF-OAQYLSRUSA-N 1 1 307.437 4.477 20 30 DIEDMO Oc1ccccc1/C=N\C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000731936953 1057761350 /nfs/dbraw/zinc/76/13/50/1057761350.db2.gz CWUOPZSUOUPLTI-XRBWPDQASA-N 1 1 320.436 4.007 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3C)cn2)c(C#N)c1 ZINC001243730191 1057764835 /nfs/dbraw/zinc/76/48/35/1057764835.db2.gz VDVMKQVOBFIURZ-OAHLLOKOSA-N 1 1 321.424 4.003 20 30 DIEDMO C=CCc1cc(OC)cc(C[N@H+](CC)C2CCCCC2)c1O ZINC000732409518 1057775286 /nfs/dbraw/zinc/77/52/86/1057775286.db2.gz RVQAPNFXEYDISY-UHFFFAOYSA-N 1 1 303.446 4.284 20 30 DIEDMO N#C[C@@H]1CC=C(c2cc(F)c(C[NH+]3CCCC3)c(F)c2)CC1 ZINC001243791743 1057780450 /nfs/dbraw/zinc/78/04/50/1057780450.db2.gz DBHAYKTYTZDOSP-CYBMUJFWSA-N 1 1 302.368 4.268 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(O)cc2OC)cc1 ZINC001243985685 1057829771 /nfs/dbraw/zinc/82/97/71/1057829771.db2.gz FDMMJBPGARGUKY-IBGZPJMESA-N 1 1 309.409 4.391 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001545471531 1058203266 /nfs/dbraw/zinc/20/32/66/1058203266.db2.gz HCVCAUPSXQRBEU-IPMKNSEASA-N 1 1 322.537 4.364 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001528766867 1058513152 /nfs/dbraw/zinc/51/31/52/1058513152.db2.gz YDHHCSRCCQOWQU-QZTJIDSGSA-N 1 1 310.526 4.314 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccc3c(c2)NC(=O)C3)cc1 ZINC001245894224 1058602304 /nfs/dbraw/zinc/60/23/04/1058602304.db2.gz ZMCLQGPWSXFBJN-FQEVSTJZSA-N 1 1 318.420 4.171 20 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/nfs/dbraw/zinc/74/65/11/1058746511.db2.gz NDQJFIJFMGDQJJ-PMACEKPBSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001278436439 1058746764 /nfs/dbraw/zinc/74/67/64/1058746764.db2.gz JZZQAHSESFCDQY-BGYRXZFFSA-N 1 1 322.537 4.065 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001557975392 1058824838 /nfs/dbraw/zinc/82/48/38/1058824838.db2.gz CGHMPHATPLZFBL-ZSBDSZQGSA-N 1 1 320.521 4.236 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553691 1059000390 /nfs/dbraw/zinc/00/03/90/1059000390.db2.gz BVCSBEBJBDGPKQ-HOTGVXAUSA-N 1 1 304.469 4.432 20 30 DIEDMO Cc1cc(F)c(C#N)c(Nc2cccc(CC[N@H+](C)C3CC3)c2)c1 ZINC001559153552 1059040606 /nfs/dbraw/zinc/04/06/06/1059040606.db2.gz ATEVHYFSBUQOJK-UHFFFAOYSA-N 1 1 323.415 4.386 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246713748 1059068194 /nfs/dbraw/zinc/06/81/94/1059068194.db2.gz JNJWGASBAHYUOI-QGZVFWFLSA-N 1 1 321.509 4.110 20 30 DIEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246713748 1059068217 /nfs/dbraw/zinc/06/82/17/1059068217.db2.gz JNJWGASBAHYUOI-QGZVFWFLSA-N 1 1 321.509 4.110 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246781115 1059077617 /nfs/dbraw/zinc/07/76/17/1059077617.db2.gz XJUQOHBIARQTQZ-WOJBJXKFSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@H+](C)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246781115 1059077637 /nfs/dbraw/zinc/07/76/37/1059077637.db2.gz XJUQOHBIARQTQZ-WOJBJXKFSA-N 1 1 302.506 4.252 20 30 DIEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246781115 1059077655 /nfs/dbraw/zinc/07/76/55/1059077655.db2.gz XJUQOHBIARQTQZ-WOJBJXKFSA-N 1 1 302.506 4.252 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246838025 1059119049 /nfs/dbraw/zinc/11/90/49/1059119049.db2.gz ACJBVCNSQCKJSL-LEWJYISDSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCN(Cc1ccccc1)[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246838025 1059119073 /nfs/dbraw/zinc/11/90/73/1059119073.db2.gz ACJBVCNSQCKJSL-LEWJYISDSA-N 1 1 306.453 4.168 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246868652 1059140677 /nfs/dbraw/zinc/14/06/77/1059140677.db2.gz CONIMIAPBPWGMV-PKOBYXMFSA-N 1 1 304.453 4.215 20 30 DIEDMO C=CCCCC[N@H+](C)[C@@H]1CCN[C@@H](c2ccc(F)cc2C)C1 ZINC001246868650 1059141393 /nfs/dbraw/zinc/14/13/93/1059141393.db2.gz CONIMIAPBPWGMV-IEBWSBKVSA-N 1 1 304.453 4.215 20 30 DIEDMO COc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)cc1F ZINC001559481484 1059256320 /nfs/dbraw/zinc/25/63/20/1059256320.db2.gz SZIHRRKEVSDTMC-UHFFFAOYSA-N 1 1 304.409 4.130 20 30 DIEDMO CC[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@@H](C)c1ccc(C#N)cc1 ZINC001559494289 1059275935 /nfs/dbraw/zinc/27/59/35/1059275935.db2.gz BCZQTHUCTSACPV-QFBILLFUSA-N 1 1 312.457 4.290 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001559506918 1059296989 /nfs/dbraw/zinc/29/69/89/1059296989.db2.gz HQMSOUOUYYWZEB-HNNXBMFYSA-N 1 1 311.256 4.353 20 30 DIEDMO C=CC[N@H+](Cc1cc(Br)ccc1F)CC1CCC1 ZINC001559518318 1059316770 /nfs/dbraw/zinc/31/67/70/1059316770.db2.gz QJOIBXZJDUAJRN-UHFFFAOYSA-N 1 1 312.226 4.376 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)cc1C#N ZINC001559548093 1059353720 /nfs/dbraw/zinc/35/37/20/1059353720.db2.gz KPRXGBAVPFQCEN-NRFANRHFSA-N 1 1 304.437 4.382 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC001559555140 1059368365 /nfs/dbraw/zinc/36/83/65/1059368365.db2.gz SEGAOAUMEHTMHC-XLIONFOSSA-N 1 1 304.437 4.439 20 30 DIEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001559560974 1059381399 /nfs/dbraw/zinc/38/13/99/1059381399.db2.gz WNTVGZJXOMMRKU-LJQANCHMSA-N 1 1 309.840 4.256 20 30 DIEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001559574400 1059405582 /nfs/dbraw/zinc/40/55/82/1059405582.db2.gz YOUZLYMECGBEQG-SJORKVTESA-N 1 1 304.478 4.130 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574447 1059406339 /nfs/dbraw/zinc/40/63/39/1059406339.db2.gz ZQOFRWVJPLRMFN-FZKQIMNGSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574447 1059406347 /nfs/dbraw/zinc/40/63/47/1059406347.db2.gz ZQOFRWVJPLRMFN-FZKQIMNGSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559586578 1059418837 /nfs/dbraw/zinc/41/88/37/1059418837.db2.gz HQIUJOQISZAEKA-DYESRHJHSA-N 1 1 320.436 4.205 20 30 DIEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001559586579 1059419002 /nfs/dbraw/zinc/41/90/02/1059419002.db2.gz HQIUJOQISZAEKA-LAUBAEHRSA-N 1 1 320.436 4.205 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC001559588849 1059423028 /nfs/dbraw/zinc/42/30/28/1059423028.db2.gz KOCABEQYDRPBCV-UHFFFAOYSA-N 1 1 320.889 4.463 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC001559588849 1059423036 /nfs/dbraw/zinc/42/30/36/1059423036.db2.gz KOCABEQYDRPBCV-UHFFFAOYSA-N 1 1 320.889 4.463 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCOC3(C2)CCCCCC3)CCC1 ZINC001559596528 1059431564 /nfs/dbraw/zinc/43/15/64/1059431564.db2.gz VMGRVPJENPTVDE-UHFFFAOYSA-N 1 1 304.478 4.276 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C12CCC2 ZINC001559597195 1059431711 /nfs/dbraw/zinc/43/17/11/1059431711.db2.gz CNWICDQUTYWXCP-IAGOWNOFSA-N 1 1 304.478 4.130 20 30 DIEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC001559614907 1059445880 /nfs/dbraw/zinc/44/58/80/1059445880.db2.gz HZCMHHAOAVMVMU-UHFFFAOYSA-N 1 1 322.493 4.208 20 30 DIEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(CC)CC ZINC001559619044 1059448811 /nfs/dbraw/zinc/44/88/11/1059448811.db2.gz SRQYNLFHIXRYRI-ZWKOTPCHSA-N 1 1 318.436 4.113 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626468 1059455886 /nfs/dbraw/zinc/45/58/86/1059455886.db2.gz UGHJVMYKCHZTIG-SJORKVTESA-N 1 1 324.509 4.358 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(CC#N)cc1 ZINC001559658183 1059487855 /nfs/dbraw/zinc/48/78/55/1059487855.db2.gz CGHMOYVAINMQGV-HUUCEWRRSA-N 1 1 308.400 4.400 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)c(SC(F)(F)F)c1)C1CC1 ZINC001559676711 1059500558 /nfs/dbraw/zinc/50/05/58/1059500558.db2.gz PBACRJKSVBNPJZ-UHFFFAOYSA-N 1 1 317.376 4.458 20 30 DIEDMO CC#CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@@H]1C ZINC001559687966 1059516057 /nfs/dbraw/zinc/51/60/57/1059516057.db2.gz CHQLQWMUKVCLDG-WMZOPIPTSA-N 1 1 315.457 4.108 20 30 DIEDMO C=C(Cl)C[NH2+][C@H](COc1ccccc1F)c1ccccc1 ZINC001559692005 1059520941 /nfs/dbraw/zinc/52/09/41/1059520941.db2.gz XDCCJMVFENQSID-MRXNPFEDSA-N 1 1 305.780 4.288 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccc(F)cc1F ZINC001559704855 1059531359 /nfs/dbraw/zinc/53/13/59/1059531359.db2.gz ZMGBUDOCVUKTBU-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccc(F)cc1F ZINC001559704524 1059532372 /nfs/dbraw/zinc/53/23/72/1059532372.db2.gz PKXUKZRFGZOPLM-GFCCVEGCSA-N 1 1 305.755 4.321 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3CF)CC2)cc1 ZINC001559714605 1059540563 /nfs/dbraw/zinc/54/05/63/1059540563.db2.gz BWVTWJNCDKLDML-UHFFFAOYSA-N 1 1 306.384 4.317 20 30 DIEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc([C@H]3CC[C@H](CC)CC3)cc2)no1 ZINC001247608899 1059569944 /nfs/dbraw/zinc/56/99/44/1059569944.db2.gz AKVBCWYIDUBPDZ-MPGHIAIKSA-N 1 1 323.440 4.444 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCc1ccc(C#N)cc1)[C@H]2C ZINC001559739325 1059570956 /nfs/dbraw/zinc/57/09/56/1059570956.db2.gz OAIPLZVEOVWJEN-HOTGVXAUSA-N 1 1 320.436 4.117 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247622709 1059573232 /nfs/dbraw/zinc/57/32/32/1059573232.db2.gz QXBKUCMALYATFR-GFCCVEGCSA-N 1 1 303.749 4.102 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247623090 1059575070 /nfs/dbraw/zinc/57/50/70/1059575070.db2.gz XHALGJXBHOBCSW-KRWDZBQOSA-N 1 1 322.412 4.110 20 30 DIEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(-n3c(C)ccc3C)cc2)no1 ZINC001247623091 1059575946 /nfs/dbraw/zinc/57/59/46/1059575946.db2.gz XHALGJXBHOBCSW-QGZVFWFLSA-N 1 1 322.412 4.110 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC001247638281 1059580935 /nfs/dbraw/zinc/58/09/35/1059580935.db2.gz KZDDVJDMGALCDP-AWEZNQCLSA-N 1 1 307.344 4.151 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(OCC)c2)no1 ZINC001247638807 1059581384 /nfs/dbraw/zinc/58/13/84/1059581384.db2.gz DHFAEOJISGNUFT-INIZCTEOSA-N 1 1 315.417 4.272 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(OC)c2)no1 ZINC001247638549 1059583234 /nfs/dbraw/zinc/58/32/34/1059583234.db2.gz AVBZRYMIAWFSKF-HNNXBMFYSA-N 1 1 319.380 4.021 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(OC)ccc2F)no1 ZINC001247640603 1059586786 /nfs/dbraw/zinc/58/67/86/1059586786.db2.gz UWOYWKDBRADWHT-HNNXBMFYSA-N 1 1 319.380 4.021 20 30 DIEDMO C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247750896 1059612095 /nfs/dbraw/zinc/61/20/95/1059612095.db2.gz HISWWZABPQEIJN-MRXNPFEDSA-N 1 1 324.428 4.063 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247750896 1059612112 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C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC12CCC(CC1)C2 ZINC001559830788 1059665030 /nfs/dbraw/zinc/66/50/30/1059665030.db2.gz QEXMRPMOOBQXPX-UHFFFAOYSA-N 1 1 301.478 4.422 20 30 DIEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001559906699 1059719018 /nfs/dbraw/zinc/71/90/18/1059719018.db2.gz XLQVBQGMAWOFEM-FQEVSTJZSA-N 1 1 320.436 4.226 20 30 DIEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001559911570 1059727777 /nfs/dbraw/zinc/72/77/77/1059727777.db2.gz MOOSGWYLLNUEMA-VQTJNVASSA-N 1 1 305.425 4.111 20 30 DIEDMO C=CCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC001559926260 1059739014 /nfs/dbraw/zinc/73/90/14/1059739014.db2.gz MQJAKGYKBWNLMV-ZACQAIPSSA-N 1 1 324.509 4.214 20 30 DIEDMO C=CCCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC001559926259 1059741267 /nfs/dbraw/zinc/74/12/67/1059741267.db2.gz MQJAKGYKBWNLMV-ULQDDVLXSA-N 1 1 324.509 4.214 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC001559947146 1059761056 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C#Cc1ccc(C[N@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001560965803 1060830317 /nfs/dbraw/zinc/83/03/17/1060830317.db2.gz BEFQKPNIAXFRIS-UHFFFAOYSA-N 1 1 315.338 4.245 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(C(F)(F)F)cc3C2)cc1 ZINC001560965803 1060830334 /nfs/dbraw/zinc/83/03/34/1060830334.db2.gz BEFQKPNIAXFRIS-UHFFFAOYSA-N 1 1 315.338 4.245 20 30 DIEDMO C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001560963652 1060830458 /nfs/dbraw/zinc/83/04/58/1060830458.db2.gz UEDGTEUWGQZRJS-ICSRJNTNSA-N 1 1 314.517 4.479 20 30 DIEDMO N#Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001250580460 1060914287 /nfs/dbraw/zinc/91/42/87/1060914287.db2.gz ZRSMYEAICFPAFY-UXHICEINSA-N 1 1 300.405 4.379 20 30 DIEDMO N#Cc1cccc(C2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001250590875 1060926431 /nfs/dbraw/zinc/92/64/31/1060926431.db2.gz WLUQPTPIAJANSK-RTWAWAEBSA-N 1 1 300.405 4.379 20 30 DIEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC001473194785 1060955229 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CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001473238090 1061015644 /nfs/dbraw/zinc/01/56/44/1061015644.db2.gz WGWQBBRMYUCLCV-DLBZAZTESA-N 1 1 320.864 4.237 20 30 DIEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC001462223291 1061037519 /nfs/dbraw/zinc/03/75/19/1061037519.db2.gz YPVNEWZIUZPJKE-BHDDXSALSA-N 1 1 301.433 4.436 20 30 DIEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC001462223304 1061038823 /nfs/dbraw/zinc/03/88/23/1061038823.db2.gz YPVNEWZIUZPJKE-YPAWHYETSA-N 1 1 301.433 4.436 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286783 1061057063 /nfs/dbraw/zinc/05/70/63/1061057063.db2.gz HMJSOGZDSWTAKC-STQMWFEESA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001473286783 1061057082 /nfs/dbraw/zinc/05/70/82/1061057082.db2.gz HMJSOGZDSWTAKC-STQMWFEESA-N 1 1 312.363 4.344 20 30 DIEDMO CCCC[N@@H+](CCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473325479 1061087700 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N#CC1(c2ccc(C[N@@H+]3CCc4cccc(Cl)c4C3)cc2)CC1 ZINC001462335901 1061112534 /nfs/dbraw/zinc/11/25/34/1061112534.db2.gz SGCAOVRSWVGCHY-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCc4cccc(Cl)c4C3)cc2)CC1 ZINC001462335901 1061112539 /nfs/dbraw/zinc/11/25/39/1061112539.db2.gz SGCAOVRSWVGCHY-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001462337030 1061113264 /nfs/dbraw/zinc/11/32/64/1061113264.db2.gz XMNDIMTXSAOXHB-YLJYHZDGSA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001462366080 1061129502 /nfs/dbraw/zinc/12/95/02/1061129502.db2.gz VSAXZMNMUFINBP-HUUCEWRRSA-N 1 1 306.409 4.075 20 30 DIEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC001473422757 1061153994 /nfs/dbraw/zinc/15/39/94/1061153994.db2.gz CBACLGRLZSOEJZ-UHFFFAOYSA-N 1 1 323.358 4.201 20 30 DIEDMO C=C(Br)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC001473452105 1061167344 /nfs/dbraw/zinc/16/73/44/1061167344.db2.gz KIBHDEYULXGYOJ-BZUAXINKSA-N 1 1 306.247 4.163 20 30 DIEDMO Cc1cc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)ccc1C#N ZINC001462501780 1061213795 /nfs/dbraw/zinc/21/37/95/1061213795.db2.gz FYDUGMMAGMBXIX-NJYVYQBISA-N 1 1 302.421 4.102 20 30 DIEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCOc1ccccc1C#N ZINC001473518500 1061215191 /nfs/dbraw/zinc/21/51/91/1061215191.db2.gz DFHNUSXWPNVOQU-DOTOQJQBSA-N 1 1 300.446 4.084 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001473525790 1061222814 /nfs/dbraw/zinc/22/28/14/1061222814.db2.gz GRABCNWIIQPEJG-VQTJNVASSA-N 1 1 320.436 4.236 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001473527622 1061223975 /nfs/dbraw/zinc/22/39/75/1061223975.db2.gz IEDLECNZATVEFD-RTBURBONSA-N 1 1 317.473 4.236 20 30 DIEDMO Clc1cccc(C#CC[N@H+]2CCSC3(CCC3)CC2)c1 ZINC001473548807 1061236996 /nfs/dbraw/zinc/23/69/96/1061236996.db2.gz WFJBTRFXMOQHFC-UHFFFAOYSA-N 1 1 305.874 4.053 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001473574458 1061261481 /nfs/dbraw/zinc/26/14/81/1061261481.db2.gz YIVWEJZKFFUUKJ-ZDUSSCGKSA-N 1 1 309.800 4.276 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001473574458 1061261496 /nfs/dbraw/zinc/26/14/96/1061261496.db2.gz YIVWEJZKFFUUKJ-ZDUSSCGKSA-N 1 1 309.800 4.276 20 30 DIEDMO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@@H+]1CCCCC(C)(C)C#N ZINC001473580699 1061271142 /nfs/dbraw/zinc/27/11/42/1061271142.db2.gz VEFFQHXRFKCEGF-MAUKXSAKSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@H]1[C@H](c2cccc(F)c2)OCC[N@H+]1CCCCC(C)(C)C#N ZINC001473580699 1061271157 /nfs/dbraw/zinc/27/11/57/1061271157.db2.gz VEFFQHXRFKCEGF-MAUKXSAKSA-N 1 1 318.436 4.308 20 30 DIEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC001473627235 1061298020 /nfs/dbraw/zinc/29/80/20/1061298020.db2.gz HJZPDMLGQJFUMC-SFHVURJKSA-N 1 1 322.452 4.449 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)CCc2ccccc21 ZINC001473635026 1061306331 /nfs/dbraw/zinc/30/63/31/1061306331.db2.gz ATQFUFZWGKNNNU-UHFFFAOYSA-N 1 1 308.400 4.033 20 30 DIEDMO C=CC[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H](C)COC ZINC001473637598 1061306694 /nfs/dbraw/zinc/30/66/94/1061306694.db2.gz UJYMMGNQCUFLTO-ZDUSSCGKSA-N 1 1 320.820 4.018 20 30 DIEDMO Cc1ccc([C@H](C)C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 ZINC001462632487 1061308516 /nfs/dbraw/zinc/30/85/16/1061308516.db2.gz WMCRYIOPUWGFCD-UTKZUKDTSA-N 1 1 320.436 4.044 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671326 1061332363 /nfs/dbraw/zinc/33/23/63/1061332363.db2.gz XQIPHCTUWPZIEE-KRWDZBQOSA-N 1 1 312.363 4.216 20 30 DIEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccc2cc[nH]c2c1 ZINC001473742816 1061383670 /nfs/dbraw/zinc/38/36/70/1061383670.db2.gz YPKNKJLFKIYJDA-UHFFFAOYSA-N 1 1 308.812 4.305 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001473739698 1061384418 /nfs/dbraw/zinc/38/44/18/1061384418.db2.gz UGTKBXLHIPDLBM-SJORKVTESA-N 1 1 322.493 4.064 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2cccc(F)c2)C2CCC2)ccc1F ZINC001473812672 1061420959 /nfs/dbraw/zinc/42/09/59/1061420959.db2.gz WHONXRWLPKOCEC-UHFFFAOYSA-N 1 1 312.363 4.391 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001473818838 1061422876 /nfs/dbraw/zinc/42/28/76/1061422876.db2.gz XJOFPEOHFJAUAC-OXJNMPFZSA-N 1 1 320.436 4.335 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001473845249 1061431152 /nfs/dbraw/zinc/43/11/52/1061431152.db2.gz HCAGSDWTAAXKPP-LJQANCHMSA-N 1 1 320.436 4.335 20 30 DIEDMO C=CCCC[N@@H+]1CCC[C@H]1COc1ccc(Br)cc1 ZINC001473844116 1061432296 /nfs/dbraw/zinc/43/22/96/1061432296.db2.gz UWSQMXLTFMBEOA-HNNXBMFYSA-N 1 1 324.262 4.259 20 30 DIEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC001473843525 1061432661 /nfs/dbraw/zinc/43/26/61/1061432661.db2.gz FDNLOYSHWGPDKG-NKSQBSFPSA-N 1 1 305.396 4.355 20 30 DIEDMO C=CCC[C@H]1CCC[N@H+]1Cc1nc(C)c(Br)s1 ZINC001473857126 1061434788 /nfs/dbraw/zinc/43/47/88/1061434788.db2.gz DRXBKTDDLKVQML-NSHDSACASA-N 1 1 315.280 4.145 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nc(C)c(Br)s1 ZINC001473857126 1061434795 /nfs/dbraw/zinc/43/47/95/1061434795.db2.gz DRXBKTDDLKVQML-NSHDSACASA-N 1 1 315.280 4.145 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC001473857433 1061436099 /nfs/dbraw/zinc/43/60/99/1061436099.db2.gz RSAYJGXRUZBZNK-QGZVFWFLSA-N 1 1 307.359 4.488 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC001473857137 1061436914 /nfs/dbraw/zinc/43/69/14/1061436914.db2.gz FGOIXOZNOQSTGC-INIZCTEOSA-N 1 1 304.821 4.173 20 30 DIEDMO C=CC[C@@H](C)[N@H+]1CCc2c(cccc2NC(=O)OC(C)(C)C)C1 ZINC001473857510 1061437753 /nfs/dbraw/zinc/43/77/53/1061437753.db2.gz USLWQJZUIKAVCK-CQSZACIVSA-N 1 1 316.445 4.356 20 30 DIEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473868055 1061442193 /nfs/dbraw/zinc/44/21/93/1061442193.db2.gz GBPSFZIZUWJDSS-HXUWFJFHSA-N 1 1 300.405 4.213 20 30 DIEDMO CCCCCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001463562914 1061497264 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N#CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CCCCCCC1 ZINC001252846538 1061742010 /nfs/dbraw/zinc/74/20/10/1061742010.db2.gz OSCCKMWPRVSUPZ-IBGZPJMESA-N 1 1 318.436 4.188 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001252983489 1061772474 /nfs/dbraw/zinc/77/24/74/1061772474.db2.gz WESXHDIDRBILSE-PMACEKPBSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001252983489 1061772499 /nfs/dbraw/zinc/77/24/99/1061772499.db2.gz WESXHDIDRBILSE-PMACEKPBSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC001252980335 1061773802 /nfs/dbraw/zinc/77/38/02/1061773802.db2.gz RQZJRYSSTZXMKA-OALUTQOASA-N 1 1 313.526 4.115 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001252984063 1061775209 /nfs/dbraw/zinc/77/52/09/1061775209.db2.gz CQSSFSPLOKHKAU-HXUWFJFHSA-N 1 1 324.553 4.048 20 30 DIEDMO C=CC(C)(C)CC[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC001474218673 1061777119 /nfs/dbraw/zinc/77/71/19/1061777119.db2.gz DKNMCSZTWBBTOQ-UHFFFAOYSA-N 1 1 302.506 4.337 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001253228167 1061834995 /nfs/dbraw/zinc/83/49/95/1061834995.db2.gz PXWYXAQXFQRULO-FUHWJXTLSA-N 1 1 306.450 4.007 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001253240375 1061836580 /nfs/dbraw/zinc/83/65/80/1061836580.db2.gz KCHSQSVROYGQJT-SFHVURJKSA-N 1 1 305.462 4.102 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001253238692 1061837663 /nfs/dbraw/zinc/83/76/63/1061837663.db2.gz DJBVCTXFQSDXLW-JTPHSUOKSA-N 1 1 316.489 4.304 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001253239891 1061837701 /nfs/dbraw/zinc/83/77/01/1061837701.db2.gz VGHZUTMSHWAMCA-RBUKOAKNSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001253233873 1061839174 /nfs/dbraw/zinc/83/91/74/1061839174.db2.gz PJHDXYZKWZDAEL-CVEARBPZSA-N 1 1 303.437 4.241 20 30 DIEDMO C=CCCn1cc(C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)nn1 ZINC001474313854 1061886981 /nfs/dbraw/zinc/88/69/81/1061886981.db2.gz GEMDZYJTMNFQCD-FQEVSTJZSA-N 1 1 324.472 4.198 20 30 DIEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2c2cccc(C)c2C)nn1 ZINC001474313854 1061887002 /nfs/dbraw/zinc/88/70/02/1061887002.db2.gz GEMDZYJTMNFQCD-FQEVSTJZSA-N 1 1 324.472 4.198 20 30 DIEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC001474327031 1061915005 /nfs/dbraw/zinc/91/50/05/1061915005.db2.gz OGRVFKLOTSGAII-PZJWPPBQSA-N 1 1 319.452 4.309 20 30 DIEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC001474327029 1061915903 /nfs/dbraw/zinc/91/59/03/1061915903.db2.gz OGRVFKLOTSGAII-FPOVZHCZSA-N 1 1 319.452 4.309 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2c(c1)OCCCCO2)C1CCCCC1 ZINC001474339512 1061937358 /nfs/dbraw/zinc/93/73/58/1061937358.db2.gz LAMADJYHKSZDLX-UHFFFAOYSA-N 1 1 313.441 4.006 20 30 DIEDMO CC(C)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001253768031 1061977380 /nfs/dbraw/zinc/97/73/80/1061977380.db2.gz QMJRALXMJVOKQU-LAUBAEHRSA-N 1 1 322.452 4.138 20 30 DIEDMO CSc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC001474358544 1061982183 /nfs/dbraw/zinc/98/21/83/1061982183.db2.gz SFERCWABPHCKRR-UHFFFAOYSA-N 1 1 310.422 4.162 20 30 DIEDMO CSc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC001474358544 1061982207 /nfs/dbraw/zinc/98/22/07/1061982207.db2.gz SFERCWABPHCKRR-UHFFFAOYSA-N 1 1 310.422 4.162 20 30 DIEDMO COc1cccc(C[N@@H+](CC#Cc2ccccc2)CC(C)C)c1 ZINC001474362007 1061987534 /nfs/dbraw/zinc/98/75/34/1061987534.db2.gz DGZVOWWVURYZEH-UHFFFAOYSA-N 1 1 307.437 4.205 20 30 DIEDMO CCCCCCCCOC(=O)C[NH2+]C1CCC(F)(F)CC1 ZINC001254211944 1062051580 /nfs/dbraw/zinc/05/15/80/1062051580.db2.gz PMOYZNBUZXXYRV-UHFFFAOYSA-N 1 1 305.409 4.058 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(C#N)c(F)c1 ZINC001254216193 1062053082 /nfs/dbraw/zinc/05/30/82/1062053082.db2.gz OKKZLVKCOWRRHP-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO C=CC[N@@H+]([C@H]1Cc2ccc(Br)cc2C1)C(C)(C)C ZINC001254286916 1062068373 /nfs/dbraw/zinc/06/83/73/1062068373.db2.gz 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1062099616 /nfs/dbraw/zinc/09/96/16/1062099616.db2.gz OGYCMZVZIFXYKX-CTNGQTDRSA-N 1 1 323.480 4.349 20 30 DIEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)Cc1ccc(OC)cc1 ZINC001459345888 1062101527 /nfs/dbraw/zinc/10/15/27/1062101527.db2.gz UJDIHUPMDCZALD-AWEZNQCLSA-N 1 1 314.256 4.267 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)c1cccc(OC)c1 ZINC001459349508 1062103701 /nfs/dbraw/zinc/10/37/01/1062103701.db2.gz KEGOHRAZEGFNMT-MRXNPFEDSA-N 1 1 308.425 4.458 20 30 DIEDMO CC[N@@H+](CCN(C)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001459355527 1062108176 /nfs/dbraw/zinc/10/81/76/1062108176.db2.gz XDHUSYOGTGLICD-KRWDZBQOSA-N 1 1 307.441 4.078 20 30 DIEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCc2ccccc2C1 ZINC001459359756 1062110298 /nfs/dbraw/zinc/11/02/98/1062110298.db2.gz ZWXZQFDQMKDYFI-QFIPXVFZSA-N 1 1 321.439 4.447 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC001459375733 1062116027 /nfs/dbraw/zinc/11/60/27/1062116027.db2.gz PNATVKHBPCJZOO-UHFFFAOYSA-N 1 1 314.379 4.291 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccco2)CC2(CC#N)CC2)s1 ZINC001459373453 1062116515 /nfs/dbraw/zinc/11/65/15/1062116515.db2.gz CBUIJAHSCVPZFP-UHFFFAOYSA-N 1 1 300.427 4.346 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccco2)CC2(CC#N)CC2)s1 ZINC001459373453 1062116521 /nfs/dbraw/zinc/11/65/21/1062116521.db2.gz CBUIJAHSCVPZFP-UHFFFAOYSA-N 1 1 300.427 4.346 20 30 DIEDMO CC(C)(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001459391115 1062123546 /nfs/dbraw/zinc/12/35/46/1062123546.db2.gz JNYCKLRSMMAMTG-UHFFFAOYSA-N 1 1 310.466 4.476 20 30 DIEDMO CC(C)(C)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC001459391115 1062123555 /nfs/dbraw/zinc/12/35/55/1062123555.db2.gz JNYCKLRSMMAMTG-UHFFFAOYSA-N 1 1 310.466 4.476 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)c1ccc(OC)cc1 ZINC001459400966 1062128260 /nfs/dbraw/zinc/12/82/60/1062128260.db2.gz SIKZDGIFFYLRAU-QGZVFWFLSA-N 1 1 320.436 4.359 20 30 DIEDMO Cc1cccc(C[N@H+](CCOc2cccc(C#N)c2)CC(C)C)c1 ZINC001459420373 1062138748 /nfs/dbraw/zinc/13/87/48/1062138748.db2.gz SNHBJZXHGYQOBM-UHFFFAOYSA-N 1 1 322.452 4.404 20 30 DIEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001459499678 1062170456 /nfs/dbraw/zinc/17/04/56/1062170456.db2.gz BVWMLAORVJPXHC-NRFANRHFSA-N 1 1 320.436 4.337 20 30 DIEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001459520311 1062180506 /nfs/dbraw/zinc/18/05/06/1062180506.db2.gz JCIYLBLRIJPNEU-WBVHZDCISA-N 1 1 323.358 4.201 20 30 DIEDMO C=CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001254569689 1062183573 /nfs/dbraw/zinc/18/35/73/1062183573.db2.gz JUIGJGGWXZVHOJ-HNNXBMFYSA-N 1 1 302.418 4.347 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC001459534853 1062189235 /nfs/dbraw/zinc/18/92/35/1062189235.db2.gz BPUTVUMSFJJYOW-UHFFFAOYSA-N 1 1 310.441 4.457 20 30 DIEDMO Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)o1 ZINC001459538158 1062192381 /nfs/dbraw/zinc/19/23/81/1062192381.db2.gz FHMGVJXNZVYRMW-RTBURBONSA-N 1 1 324.424 4.110 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600942 1062196943 /nfs/dbraw/zinc/19/69/43/1062196943.db2.gz SMDPLOPKURCMQF-HXUWFJFHSA-N 1 1 322.408 4.140 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001459540078 1062198096 /nfs/dbraw/zinc/19/80/96/1062198096.db2.gz ISFVRUFNFLJZTJ-KRWDZBQOSA-N 1 1 303.421 4.467 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(Cl)c(Cl)c3)C2)C1 ZINC001254668621 1062222700 /nfs/dbraw/zinc/22/27/00/1062222700.db2.gz GXCMQHBRTASVPF-BNOWGMLFSA-N 1 1 309.240 4.475 20 30 DIEDMO CC(C)CN1c2ccccc2[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254664989 1062224001 /nfs/dbraw/zinc/22/40/01/1062224001.db2.gz KPSPHKVAAUDYEU-VKRLORBYSA-N 1 1 323.484 4.013 20 30 DIEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001459585996 1062225889 /nfs/dbraw/zinc/22/58/89/1062225889.db2.gz AHECQOBYDROZEA-AWEZNQCLSA-N 1 1 310.363 4.445 20 30 DIEDMO CC(C)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254674380 1062228139 /nfs/dbraw/zinc/22/81/39/1062228139.db2.gz YEPYRHITURATQU-DQLDELGASA-N 1 1 322.452 4.276 20 30 DIEDMO CC(C)(C)Oc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254679548 1062228945 /nfs/dbraw/zinc/22/89/45/1062228945.db2.gz NQCRZKQPPBQMAE-CGTJXYLNSA-N 1 1 312.457 4.345 20 30 DIEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1C ZINC001474543830 1062236475 /nfs/dbraw/zinc/23/64/75/1062236475.db2.gz FUKVUPFNXZLCIF-UHFFFAOYSA-N 1 1 304.437 4.491 20 30 DIEDMO CC[C@@H](C)C[N@@H+](CC)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001459606161 1062243636 /nfs/dbraw/zinc/24/36/36/1062243636.db2.gz YWLUNDJYRRCZDB-CQSZACIVSA-N 1 1 313.363 4.305 20 30 DIEDMO CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001459617310 1062250713 /nfs/dbraw/zinc/25/07/13/1062250713.db2.gz BLYNBPSQKRAHHI-CQSZACIVSA-N 1 1 311.347 4.059 20 30 DIEDMO COc1ccc(C[C@H]2CC[N@H+]2CCC2(C#N)CCCCC2)cc1 ZINC001459646280 1062277246 /nfs/dbraw/zinc/27/72/46/1062277246.db2.gz AAMRQKYBQNATPC-GOSISDBHSA-N 1 1 312.457 4.176 20 30 DIEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC001474602002 1062316670 /nfs/dbraw/zinc/31/66/70/1062316670.db2.gz ZEOOQTJBWZTTRJ-UHFFFAOYSA-N 1 1 316.326 4.401 20 30 DIEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC001474602002 1062316695 /nfs/dbraw/zinc/31/66/95/1062316695.db2.gz ZEOOQTJBWZTTRJ-UHFFFAOYSA-N 1 1 316.326 4.401 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC001474617873 1062339156 /nfs/dbraw/zinc/33/91/56/1062339156.db2.gz IUGCZQYUYBUQIF-UHFFFAOYSA-N 1 1 300.405 4.016 20 30 DIEDMO C#Cc1ccc(C[N@H+]2CCc3[nH]c4ccc(C)cc4c3C2)cc1 ZINC001474617873 1062339174 /nfs/dbraw/zinc/33/91/74/1062339174.db2.gz IUGCZQYUYBUQIF-UHFFFAOYSA-N 1 1 300.405 4.016 20 30 DIEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC001255152814 1062345539 /nfs/dbraw/zinc/34/55/39/1062345539.db2.gz CUXQVPVAIQIINW-DZGCQCFKSA-N 1 1 317.433 4.376 20 30 DIEDMO CC[C@H](CC#N)[NH2+][C@H](C(=O)Nc1ccc2ccccc2c1)C(C)C ZINC001255164363 1062350954 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C=C1C[C@@H]2CC([N@H+]3CCCC[C@@H]3CN3CCCC3)C[C@H](C1)C2 ZINC001257893033 1063431205 /nfs/dbraw/zinc/43/12/05/1063431205.db2.gz KWZXVXBGLXYVTD-BMHONFFRSA-N 1 1 302.506 4.072 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@H]3c3noc(C)n3)C[C@H](C1)C2 ZINC001257892714 1063431338 /nfs/dbraw/zinc/43/13/38/1063431338.db2.gz BONOMVXORLAXPX-WFVVYAPDSA-N 1 1 301.434 4.040 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)c(F)c1 ZINC001473137165 1063444134 /nfs/dbraw/zinc/44/41/34/1063444134.db2.gz MFJBXXLKVVQHSV-CYBMUJFWSA-N 1 1 303.327 4.300 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccc(F)c(F)c1 ZINC001473137165 1063444139 /nfs/dbraw/zinc/44/41/39/1063444139.db2.gz MFJBXXLKVVQHSV-CYBMUJFWSA-N 1 1 303.327 4.300 20 30 DIEDMO C=C(C)CC[N@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001473151031 1063457249 /nfs/dbraw/zinc/45/72/49/1063457249.db2.gz CXJTUAOHKPCPLZ-FQEVSTJZSA-N 1 1 300.490 4.329 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001546268367 1063466678 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CCCCCCC[C@H](C)[N@@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258049271 1063482116 /nfs/dbraw/zinc/48/21/16/1063482116.db2.gz CXKIMIAWMGIYDC-KRWDZBQOSA-N 1 1 310.526 4.458 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001258049334 1063482416 /nfs/dbraw/zinc/48/24/16/1063482416.db2.gz FEDFWVYXRQGZNO-SFHVURJKSA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@H](C)N1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001258049334 1063482426 /nfs/dbraw/zinc/48/24/26/1063482426.db2.gz FEDFWVYXRQGZNO-SFHVURJKSA-N 1 1 324.553 4.311 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001258048364 1063482514 /nfs/dbraw/zinc/48/25/14/1063482514.db2.gz UDKXBVHVHPUOFP-LNLFQRSKSA-N 1 1 308.510 4.259 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258047529 1063482568 /nfs/dbraw/zinc/48/25/68/1063482568.db2.gz LSJVJEZUGFIJCD-IHPCNDPISA-N 1 1 323.521 4.395 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001258048948 1063482742 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C#Cc1ccc(C[NH2+]Cc2c(Cl)cccc2OC(F)F)cc1 ZINC001461511738 1063546248 /nfs/dbraw/zinc/54/62/48/1063546248.db2.gz BRZZWKZYAMWWRF-UHFFFAOYSA-N 1 1 321.754 4.213 20 30 DIEDMO Cc1[nH+]cn(-c2ccc(NCc3csc(C#N)c3)cc2)c1C ZINC001461545213 1063571102 /nfs/dbraw/zinc/57/11/02/1063571102.db2.gz BJACNKSEMHEIEK-UHFFFAOYSA-N 1 1 308.410 4.034 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232381 1063572150 /nfs/dbraw/zinc/57/21/50/1063572150.db2.gz PNDGXNWBJJMBBD-IPMKNSEASA-N 1 1 322.537 4.458 20 30 DIEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCCCCCC1)C2 ZINC001258240876 1063580824 /nfs/dbraw/zinc/58/08/24/1063580824.db2.gz UPBVPVRJKLFQGM-PMACEKPBSA-N 1 1 321.505 4.173 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CCCC(C)(C)C1)CCO2 ZINC001258291830 1063590515 /nfs/dbraw/zinc/59/05/15/1063590515.db2.gz PUHUQSWJGASHOF-QWFCFKBJSA-N 1 1 321.505 4.029 20 30 DIEDMO COc1ccc(CC[C@H](C)[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001258403183 1063640152 /nfs/dbraw/zinc/64/01/52/1063640152.db2.gz 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CCCCCCC[C@@H](CC(C)C)[N@H+]1CCCN(C(C)=O)CC1 ZINC001258714695 1063770690 /nfs/dbraw/zinc/77/06/90/1063770690.db2.gz UJJOOZLHEXYMIK-IBGZPJMESA-N 1 1 310.526 4.316 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc2c1CCC2 ZINC001461884199 1063774408 /nfs/dbraw/zinc/77/44/08/1063774408.db2.gz ROWCKNRUNHWFQZ-VXKWHMMOSA-N 1 1 316.448 4.447 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001258726302 1063778553 /nfs/dbraw/zinc/77/85/53/1063778553.db2.gz QRGXWMKMYFMPNP-QFBILLFUSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@@H](C)[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC001258732637 1063781379 /nfs/dbraw/zinc/78/13/79/1063781379.db2.gz OKBAYPREHUXUFD-SJORKVTESA-N 1 1 302.462 4.389 20 30 DIEDMO C=CCC[C@H](C)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001258733276 1063782272 /nfs/dbraw/zinc/78/22/72/1063782272.db2.gz YMBUJGAFLFFYSO-AYZHRIAMSA-N 1 1 314.517 4.236 20 30 DIEDMO C=CCC[C@H](C)[N@@H+](CCC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735729 1063784026 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/nfs/dbraw/zinc/12/43/48/333124348.db2.gz LORJKACKWTWAFC-UONOGXRCSA-N 1 1 313.832 4.231 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2ccccc2Cl)cc1C#N ZINC000388034139 333196084 /nfs/dbraw/zinc/19/60/84/333196084.db2.gz DQOQUOYAAWEIFG-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccc2Cl)cc1C#N ZINC000388034139 333196086 /nfs/dbraw/zinc/19/60/86/333196086.db2.gz DQOQUOYAAWEIFG-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000497185313 333218393 /nfs/dbraw/zinc/21/83/93/333218393.db2.gz ZDAJJJJDQAYXJU-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO C[N@@H+](Cc1ccoc1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000497474636 333254747 /nfs/dbraw/zinc/25/47/47/333254747.db2.gz OFTSKUAZDWGMIA-UHFFFAOYSA-N 1 1 302.377 4.450 20 30 DIEDMO CC[N@@H+](CCCOc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497609004 333268631 /nfs/dbraw/zinc/26/86/31/333268631.db2.gz CXRIYOKWNUYPRS-KRWDZBQOSA-N 1 1 308.425 4.410 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccccc1F)C(C)C ZINC000501205716 333268843 /nfs/dbraw/zinc/26/88/43/333268843.db2.gz QXFOHQZFTLHYMN-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccc1F)C(C)C ZINC000501205716 333268845 /nfs/dbraw/zinc/26/88/45/333268845.db2.gz QXFOHQZFTLHYMN-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C=C(C)COCC[NH2+][C@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498799668 333269352 /nfs/dbraw/zinc/26/93/52/333269352.db2.gz JKEMZDRGUQBLQS-FQEVSTJZSA-N 1 1 322.408 4.100 20 30 DIEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357989 333298280 /nfs/dbraw/zinc/29/82/80/333298280.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 1 1 319.537 4.293 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCC(C)(C)C#N)C1 ZINC000364357989 333298282 /nfs/dbraw/zinc/29/82/82/333298282.db2.gz WUPBEYNSTWGVLW-RTBURBONSA-N 1 1 319.537 4.293 20 30 DIEDMO CC[C@@H]1C[C@]1([NH2+]Cc1ccc(F)cc1C#N)c1cccc(C)c1 ZINC000502485529 333300343 /nfs/dbraw/zinc/30/03/43/333300343.db2.gz PBXPIPVXOFZHQC-YLJYHZDGSA-N 1 1 308.400 4.421 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1ccco1 ZINC000296415537 335144579 /nfs/dbraw/zinc/14/45/79/335144579.db2.gz LBYXWGLJGVIIGY-ZDUSSCGKSA-N 1 1 310.319 4.491 20 30 DIEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnn(CC)c1)c1ccc(F)c(F)c1 ZINC000186449288 335157896 /nfs/dbraw/zinc/15/78/96/335157896.db2.gz YXMAYXYLMMPIFV-YVEFUNNKSA-N 1 1 305.372 4.149 20 30 DIEDMO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000414141974 333902220 /nfs/dbraw/zinc/90/22/20/333902220.db2.gz IPQSMPNCMTWYPJ-ZIAGYGMSSA-N 1 1 312.388 4.426 20 30 DIEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1 ZINC000343419527 335163319 /nfs/dbraw/zinc/16/33/19/335163319.db2.gz LVIBHBCRKVJNIW-KRWDZBQOSA-N 1 1 324.449 4.052 20 30 DIEDMO C[C@H](c1ccc(Br)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272510803 334036296 /nfs/dbraw/zinc/03/62/96/334036296.db2.gz GAUNOFKKOIKWRT-GFCCVEGCSA-N 1 1 307.235 4.136 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343525896 335174626 /nfs/dbraw/zinc/17/46/26/335174626.db2.gz KOUZBWOAGQPWHP-AWEZNQCLSA-N 1 1 313.470 4.273 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000277589127 334089149 /nfs/dbraw/zinc/08/91/49/334089149.db2.gz DCBHFWBWCGABLR-KRWDZBQOSA-N 1 1 324.472 4.221 20 30 DIEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC(C)(C)C#N ZINC000277751371 334090424 /nfs/dbraw/zinc/09/04/24/334090424.db2.gz PPGZRBDXPULLLI-WMZOPIPTSA-N 1 1 300.446 4.168 20 30 DIEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCC(C)(C)C#N ZINC000277751369 334090451 /nfs/dbraw/zinc/09/04/51/334090451.db2.gz PPGZRBDXPULLLI-SJLPKXTDSA-N 1 1 300.446 4.168 20 30 DIEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCC(C)(C)C#N ZINC000277751367 334090594 /nfs/dbraw/zinc/09/05/94/334090594.db2.gz PPGZRBDXPULLLI-FUHWJXTLSA-N 1 1 300.446 4.168 20 30 DIEDMO C[N@H+](CCCCC(C)(C)C#N)Cc1nc(C(F)(F)F)cs1 ZINC000277796222 334090929 /nfs/dbraw/zinc/09/09/29/334090929.db2.gz TUEVCYZCGFVKTO-UHFFFAOYSA-N 1 1 319.396 4.314 20 30 DIEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nc(C(F)(F)F)cs1 ZINC000277796222 334090930 /nfs/dbraw/zinc/09/09/30/334090930.db2.gz TUEVCYZCGFVKTO-UHFFFAOYSA-N 1 1 319.396 4.314 20 30 DIEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000277861437 334091552 /nfs/dbraw/zinc/09/15/52/334091552.db2.gz YCOGIXDTNTVIOI-GOSISDBHSA-N 1 1 324.472 4.430 20 30 DIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@@H]3CCC[C@H](C#N)C3)n2)cc1 ZINC000278416728 334096069 /nfs/dbraw/zinc/09/60/69/334096069.db2.gz QXKSIILTEVMMAE-JLJPHGGASA-N 1 1 324.428 4.032 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000279273785 334107243 /nfs/dbraw/zinc/10/72/43/334107243.db2.gz NPZQEOLOLKULOJ-UHFFFAOYSA-N 1 1 318.436 4.137 20 30 DIEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)Cc1ccsc1 ZINC000281321537 334124933 /nfs/dbraw/zinc/12/49/33/334124933.db2.gz LGEVDGCOWUARPP-MRXNPFEDSA-N 1 1 320.502 4.102 20 30 DIEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCC2(C#N)CCOCC2)c1 ZINC000281925591 334129819 /nfs/dbraw/zinc/12/98/19/334129819.db2.gz HNXYZQKKIYXUDS-IBGZPJMESA-N 1 1 312.457 4.233 20 30 DIEDMO Cc1ccc(C[N@H+](CCCC2(C#N)CCOCC2)C(C)C)s1 ZINC000281958397 334130009 /nfs/dbraw/zinc/13/00/09/334130009.db2.gz KFNZGLOQGRTJEL-UHFFFAOYSA-N 1 1 320.502 4.368 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc2ccccc21 ZINC000282057577 334130955 /nfs/dbraw/zinc/13/09/55/334130955.db2.gz RYDPVIUWRFBSQQ-UHFFFAOYSA-N 1 1 322.452 4.372 20 30 DIEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282084493 334131152 /nfs/dbraw/zinc/13/11/52/334131152.db2.gz UWCVPKGTLQEPBW-HNNXBMFYSA-N 1 1 320.864 4.433 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282130573 334131750 /nfs/dbraw/zinc/13/17/50/334131750.db2.gz YSBVSDMRTMKIGZ-QGZVFWFLSA-N 1 1 300.446 4.088 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289439473 334165364 /nfs/dbraw/zinc/16/53/64/334165364.db2.gz DOHWRAXXMIKUND-OALUTQOASA-N 1 1 324.468 4.021 20 30 DIEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290318767 334172373 /nfs/dbraw/zinc/17/23/73/334172373.db2.gz CTTKOYMMBBCWRR-FQEVSTJZSA-N 1 1 322.456 4.015 20 30 DIEDMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CCC#N ZINC000298790800 334251460 /nfs/dbraw/zinc/25/14/60/334251460.db2.gz DKCORFDYDIKNIF-JTQLQIEISA-N 1 1 305.834 4.336 20 30 DIEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187669067 334268674 /nfs/dbraw/zinc/26/86/74/334268674.db2.gz PPMOXFDEEMYCGP-BEFAXECRSA-N 1 1 306.409 4.117 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C12CCCCC2 ZINC000303840185 334336297 /nfs/dbraw/zinc/33/62/97/334336297.db2.gz BMDOMZAZHWGDJZ-OALUTQOASA-N 1 1 312.457 4.118 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)c1 ZINC000535080327 334365658 /nfs/dbraw/zinc/36/56/58/334365658.db2.gz SNXZOEVFTJNRDF-KRWDZBQOSA-N 1 1 300.446 4.032 20 30 DIEDMO CCCC[N@@H+](CC)Cc1cccc(CNc2cccc(C#N)n2)c1 ZINC000535134750 334373922 /nfs/dbraw/zinc/37/39/22/334373922.db2.gz UFTDMLDRFBOODP-UHFFFAOYSA-N 1 1 322.456 4.187 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c(F)c1 ZINC000341573443 334453406 /nfs/dbraw/zinc/45/34/06/334453406.db2.gz LQPJQRNPVCQUKL-INIZCTEOSA-N 1 1 322.305 4.481 20 30 DIEDMO CCC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccc(C#N)cc1 ZINC000343618643 335182079 /nfs/dbraw/zinc/18/20/79/335182079.db2.gz UBCJTJVNDPLTOZ-UHFFFAOYSA-N 1 1 310.445 4.056 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Cl ZINC000528363820 335202151 /nfs/dbraw/zinc/20/21/51/335202151.db2.gz KMURVXRMWXWTSR-UHFFFAOYSA-N 1 1 313.832 4.265 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1Cl ZINC000528363820 335202152 /nfs/dbraw/zinc/20/21/52/335202152.db2.gz KMURVXRMWXWTSR-UHFFFAOYSA-N 1 1 313.832 4.265 20 30 DIEDMO COc1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)ccc1C#N ZINC000366928785 335374232 /nfs/dbraw/zinc/37/42/32/335374232.db2.gz WDUCMLZVRKMYLA-HXUWFJFHSA-N 1 1 318.376 4.039 20 30 DIEDMO Cc1sc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)nc1C(C)C ZINC000346193999 335388738 /nfs/dbraw/zinc/38/87/38/335388738.db2.gz NTDBTRDJTOKKBZ-LLVKDONJSA-N 1 1 317.433 4.437 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OCc2ccccc2)c1 ZINC000444718280 338485297 /nfs/dbraw/zinc/48/52/97/338485297.db2.gz KPGVYSVFGVIIJJ-INIZCTEOSA-N 1 1 306.409 4.220 20 30 DIEDMO C=C1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000347772685 335523921 /nfs/dbraw/zinc/52/39/21/335523921.db2.gz JNLUJVBWSMPIEN-UHFFFAOYSA-N 1 1 321.346 4.043 20 30 DIEDMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1Cl ZINC000330228470 336126990 /nfs/dbraw/zinc/12/69/90/336126990.db2.gz VKKLZTDBRXEMHB-HNNXBMFYSA-N 1 1 321.808 4.163 20 30 DIEDMO CC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1Cl ZINC000330228470 336126992 /nfs/dbraw/zinc/12/69/92/336126992.db2.gz VKKLZTDBRXEMHB-HNNXBMFYSA-N 1 1 321.808 4.163 20 30 DIEDMO Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c(O)c1 ZINC000330254473 336130096 /nfs/dbraw/zinc/13/00/96/336130096.db2.gz AWQUOAHFXQSAMA-MRXNPFEDSA-N 1 1 302.418 4.086 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1Cl ZINC000532501548 336252400 /nfs/dbraw/zinc/25/24/00/336252400.db2.gz PMLZGOHTTSTRPL-UHFFFAOYSA-N 1 1 317.816 4.242 20 30 DIEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000532553505 336255349 /nfs/dbraw/zinc/25/53/49/336255349.db2.gz GEQKZAVILHHFRF-IRXDYDNUSA-N 1 1 322.452 4.058 20 30 DIEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000532572120 336255972 /nfs/dbraw/zinc/25/59/72/336255972.db2.gz BBTSHRHFRCNGKF-UHFFFAOYSA-N 1 1 315.244 4.220 20 30 DIEDMO CN(C)c1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000532590373 336256669 /nfs/dbraw/zinc/25/66/69/336256669.db2.gz WETVWRSXSNDXOH-CTNGQTDRSA-N 1 1 319.452 4.024 20 30 DIEDMO C=CCOc1ccc(CNc2cccc3cc[nH+]cc32)cc1OC ZINC000532736677 336268947 /nfs/dbraw/zinc/26/89/47/336268947.db2.gz QPTLOTGMHRNINI-UHFFFAOYSA-N 1 1 320.392 4.420 20 30 DIEDMO COc1ccc(C[N@@H+](C)Cc2csc3ccccc23)cc1C#N ZINC000532745077 336269269 /nfs/dbraw/zinc/26/92/69/336269269.db2.gz GMEZRHKAQUNJED-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO C=C(C)COc1cc(CNc2[nH+]cccc2CC)ccc1OC ZINC000532784393 336271032 /nfs/dbraw/zinc/27/10/32/336271032.db2.gz RNCMNLHEDKMMRY-UHFFFAOYSA-N 1 1 312.413 4.220 20 30 DIEDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)c1cccc(C#N)c1)C2 ZINC000526942198 336275355 /nfs/dbraw/zinc/27/53/55/336275355.db2.gz TVNKREAZJSIIAZ-HNNXBMFYSA-N 1 1 306.409 4.076 20 30 DIEDMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccc(C#N)cc1 ZINC000325122932 336279822 /nfs/dbraw/zinc/27/98/22/336279822.db2.gz YHFVETVXEWXTPX-IERDGZPVSA-N 1 1 313.404 4.393 20 30 DIEDMO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1ccc(C#N)cc1 ZINC000325122934 336279857 /nfs/dbraw/zinc/27/98/57/336279857.db2.gz YHFVETVXEWXTPX-KKSFZXQISA-N 1 1 313.404 4.393 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cccc(F)c2C#N)cc1 ZINC000301550186 336314219 /nfs/dbraw/zinc/31/42/19/336314219.db2.gz QGTQAWSQBQYYDM-CYBMUJFWSA-N 1 1 320.371 4.365 20 30 DIEDMO C=CCc1cc(CNc2cc[nH+]cc2Cl)cc(OC)c1OC ZINC000301554166 336314556 /nfs/dbraw/zinc/31/45/56/336314556.db2.gz ZFOVCEZXAHZYPJ-UHFFFAOYSA-N 1 1 318.804 4.093 20 30 DIEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)[C@H]1c1ccccc1 ZINC000302836987 336371575 /nfs/dbraw/zinc/37/15/75/336371575.db2.gz XAWMMTGKUMXJFF-QZTJIDSGSA-N 1 1 311.816 4.069 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)c2ccccc21 ZINC000352901362 336375456 /nfs/dbraw/zinc/37/54/56/336375456.db2.gz RLOBYKAFMBNHPU-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1OC ZINC000352935461 336378303 /nfs/dbraw/zinc/37/83/03/336378303.db2.gz OVXDESAPKLCNJN-QGZVFWFLSA-N 1 1 301.430 4.025 20 30 DIEDMO CCCC[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000563950451 336388125 /nfs/dbraw/zinc/38/81/25/336388125.db2.gz KOXBLJBHRBGTRP-KRWDZBQOSA-N 1 1 324.472 4.474 20 30 DIEDMO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc2)cs1 ZINC000358880523 336645953 /nfs/dbraw/zinc/64/59/53/336645953.db2.gz XUXYBJUEQVOHFV-DZGCQCFKSA-N 1 1 324.453 4.213 20 30 DIEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccc(F)c(F)c1 ZINC000359968297 336695905 /nfs/dbraw/zinc/69/59/05/336695905.db2.gz AZOIPBXLNPKQEH-XIKOKIGWSA-N 1 1 317.383 4.340 20 30 DIEDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000116883095 336847807 /nfs/dbraw/zinc/84/78/07/336847807.db2.gz MPYZNCXPURECJJ-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000375401007 337010510 /nfs/dbraw/zinc/01/05/10/337010510.db2.gz CGSHPOPZYXZWIO-ZBFHGGJFSA-N 1 1 306.475 4.230 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](c2ccsc2)O1 ZINC000375401007 337010511 /nfs/dbraw/zinc/01/05/11/337010511.db2.gz CGSHPOPZYXZWIO-ZBFHGGJFSA-N 1 1 306.475 4.230 20 30 DIEDMO N#CC1(CCC[N@H+]2Cc3ccccc3C3(CCC3)C2)CCOCC1 ZINC000375690151 337016635 /nfs/dbraw/zinc/01/66/35/337016635.db2.gz OXIBMOPRYDDKIB-UHFFFAOYSA-N 1 1 324.468 4.024 20 30 DIEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000172620672 337130399 /nfs/dbraw/zinc/13/03/99/337130399.db2.gz LLVZMAYFDOHMGZ-KRWDZBQOSA-N 1 1 304.315 4.216 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000023356114 337130539 /nfs/dbraw/zinc/13/05/39/337130539.db2.gz RPYJJPHLUZEEAQ-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000023356114 337130540 /nfs/dbraw/zinc/13/05/40/337130540.db2.gz RPYJJPHLUZEEAQ-NSHDSACASA-N 1 1 304.315 4.169 20 30 DIEDMO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000532899493 337148255 /nfs/dbraw/zinc/14/82/55/337148255.db2.gz CCRHZPCTLYSOEL-GOSISDBHSA-N 1 1 300.352 4.420 20 30 DIEDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000532899494 337148262 /nfs/dbraw/zinc/14/82/62/337148262.db2.gz CCRHZPCTLYSOEL-SFHVURJKSA-N 1 1 300.352 4.420 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)CCCC2 ZINC000582816925 337195341 /nfs/dbraw/zinc/19/53/41/337195341.db2.gz NUWBXFXPEGFXMW-CQSZACIVSA-N 1 1 308.400 4.427 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000184095691 337196091 /nfs/dbraw/zinc/19/60/91/337196091.db2.gz YSKXKFKCUBCRSH-GOSISDBHSA-N 1 1 324.424 4.056 20 30 DIEDMO C=CCC[N@H+](C)Cc1csc(-c2ccc(OCC)cc2)n1 ZINC000467288910 337202490 /nfs/dbraw/zinc/20/24/90/337202490.db2.gz AAGVVMAFJMNGQS-UHFFFAOYSA-N 1 1 302.443 4.217 20 30 DIEDMO C=C(C)C[C@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000185869466 337252272 /nfs/dbraw/zinc/25/22/72/337252272.db2.gz SKMUURJAOUMEGB-ROUUACIJSA-N 1 1 320.521 4.092 20 30 DIEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577326 337267100 /nfs/dbraw/zinc/26/71/00/337267100.db2.gz JONQMFPRDXEGAA-VQIMIIECSA-N 1 1 322.456 4.084 20 30 DIEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000187577371 337267137 /nfs/dbraw/zinc/26/71/37/337267137.db2.gz JONQMFPRDXEGAA-QFBILLFUSA-N 1 1 322.456 4.084 20 30 DIEDMO CCC(CC)[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(C)C ZINC000321683261 337284328 /nfs/dbraw/zinc/28/43/28/337284328.db2.gz UMKRWAKPCQDPHP-UHFFFAOYSA-N 1 1 315.461 4.033 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583266760 337296389 /nfs/dbraw/zinc/29/63/89/337296389.db2.gz VWTVGYLJKLGZEC-KBXCAEBGSA-N 1 1 321.380 4.050 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1ccc(Br)o1)c1ccccc1 ZINC000191461184 337297166 /nfs/dbraw/zinc/29/71/66/337297166.db2.gz YZPGCSARGCTBTQ-AWEZNQCLSA-N 1 1 319.202 4.177 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1cncc(Br)c1 ZINC000192839536 337307753 /nfs/dbraw/zinc/30/77/53/337307753.db2.gz PGMVGFNEXJUKRN-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1cncc(Br)c1 ZINC000192839536 337307754 /nfs/dbraw/zinc/30/77/54/337307754.db2.gz PGMVGFNEXJUKRN-UHFFFAOYSA-N 1 1 323.259 4.094 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000193190396 337310140 /nfs/dbraw/zinc/31/01/40/337310140.db2.gz SASNIMYYWOTLSW-LAUBAEHRSA-N 1 1 315.420 4.078 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000193190396 337310141 /nfs/dbraw/zinc/31/01/41/337310141.db2.gz SASNIMYYWOTLSW-LAUBAEHRSA-N 1 1 315.420 4.078 20 30 DIEDMO Cc1cc(C[NH2+]Cc2c(Cl)cccc2Cl)ccc1C#N ZINC000584449094 337339303 /nfs/dbraw/zinc/33/93/03/337339303.db2.gz YYRUBHIBPOVPGM-UHFFFAOYSA-N 1 1 305.208 4.463 20 30 DIEDMO CC(C)COC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccco1 ZINC000572447297 337649530 /nfs/dbraw/zinc/64/95/30/337649530.db2.gz DFOUQLCGSTZKKO-RTBURBONSA-N 1 1 324.424 4.142 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000515917307 338001076 /nfs/dbraw/zinc/00/10/76/338001076.db2.gz AMDKQNLFYSLCFV-UHFFFAOYSA-N 1 1 319.880 4.182 20 30 DIEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000516197578 338007085 /nfs/dbraw/zinc/00/70/85/338007085.db2.gz ITTABEVWLUXSMJ-HNNXBMFYSA-N 1 1 312.388 4.159 20 30 DIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC1(O)CCCCCC1 ZINC000426205989 338022910 /nfs/dbraw/zinc/02/29/10/338022910.db2.gz YKUDVONJPPFASD-UHFFFAOYSA-N 1 1 314.473 4.005 20 30 DIEDMO C[C@H](C1CC1)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365357 338028974 /nfs/dbraw/zinc/02/89/74/338028974.db2.gz LRFQZHAXRAEMBV-CYBMUJFWSA-N 1 1 307.359 4.320 20 30 DIEDMO C[C@@H](c1ccco1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426420955 338031694 /nfs/dbraw/zinc/03/16/94/338031694.db2.gz PHEWAHNLDDJLNF-ZDUSSCGKSA-N 1 1 307.315 4.343 20 30 DIEDMO C[C@@H](c1ccco1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426420955 338031695 /nfs/dbraw/zinc/03/16/95/338031695.db2.gz PHEWAHNLDDJLNF-ZDUSSCGKSA-N 1 1 307.315 4.343 20 30 DIEDMO C[C@H](c1ccco1)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426420954 338031751 /nfs/dbraw/zinc/03/17/51/338031751.db2.gz PHEWAHNLDDJLNF-CYBMUJFWSA-N 1 1 307.315 4.343 20 30 DIEDMO C[C@H](c1ccco1)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000426420954 338031752 /nfs/dbraw/zinc/03/17/52/338031752.db2.gz PHEWAHNLDDJLNF-CYBMUJFWSA-N 1 1 307.315 4.343 20 30 DIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000426506770 338033694 /nfs/dbraw/zinc/03/36/94/338033694.db2.gz HMHFHBLAUNARNV-INIZCTEOSA-N 1 1 320.845 4.093 20 30 DIEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000426506770 338033695 /nfs/dbraw/zinc/03/36/95/338033695.db2.gz HMHFHBLAUNARNV-INIZCTEOSA-N 1 1 320.845 4.093 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)s1 ZINC000428246193 338044099 /nfs/dbraw/zinc/04/40/99/338044099.db2.gz RBTBOSIMWGAEIP-INIZCTEOSA-N 1 1 300.402 4.404 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)s1 ZINC000428246193 338044100 /nfs/dbraw/zinc/04/41/00/338044100.db2.gz RBTBOSIMWGAEIP-INIZCTEOSA-N 1 1 300.402 4.404 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(OC(F)F)c1 ZINC000428333765 338047667 /nfs/dbraw/zinc/04/76/67/338047667.db2.gz VRPJYSNSWIFULN-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428460096 338053187 /nfs/dbraw/zinc/05/31/87/338053187.db2.gz GAPYMZINDHIDOB-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(F)c2C#N)c1 ZINC000428460096 338053188 /nfs/dbraw/zinc/05/31/88/338053188.db2.gz GAPYMZINDHIDOB-LJQANCHMSA-N 1 1 310.372 4.043 20 30 DIEDMO CSc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000428967763 338067129 /nfs/dbraw/zinc/06/71/29/338067129.db2.gz NUMCACUXMSHNTR-GFCCVEGCSA-N 1 1 300.402 4.270 20 30 DIEDMO C=C(C)COc1cc(C[N@@H+](C)Cc2occc2C)ccc1OC ZINC000430132498 338098403 /nfs/dbraw/zinc/09/84/03/338098403.db2.gz MGJWRMSSIMHPQA-UHFFFAOYSA-N 1 1 315.413 4.184 20 30 DIEDMO CC[C@H]1CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205348 338101260 /nfs/dbraw/zinc/10/12/60/338101260.db2.gz MVEYLYLTRMXVSW-IBGZPJMESA-N 1 1 306.409 4.122 20 30 DIEDMO C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1 ZINC000432519467 338158122 /nfs/dbraw/zinc/15/81/22/338158122.db2.gz NPNYIHRIOCTHPE-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1ccc(C#N)cc1 ZINC000432519468 338158159 /nfs/dbraw/zinc/15/81/59/338158159.db2.gz NPNYIHRIOCTHPE-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)(C)c1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)no1 ZINC000433016569 338176467 /nfs/dbraw/zinc/17/64/67/338176467.db2.gz RWIIWIILERJKOH-KRWDZBQOSA-N 1 1 311.429 4.497 20 30 DIEDMO N#CCCC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000433018501 338176489 /nfs/dbraw/zinc/17/64/89/338176489.db2.gz HZPZIVVQLIRCQA-IBGZPJMESA-N 1 1 307.372 4.222 20 30 DIEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052432 338178820 /nfs/dbraw/zinc/17/88/20/338178820.db2.gz MGTQRYIIFRIJGD-VQIMIIECSA-N 1 1 322.456 4.084 20 30 DIEDMO C[N@H+](CCOC(c1ccccc1)c1ccccc1)CC(C)(C)C#N ZINC000433310547 338191192 /nfs/dbraw/zinc/19/11/92/338191192.db2.gz CMORGHWDYHGVQV-UHFFFAOYSA-N 1 1 322.452 4.274 20 30 DIEDMO C[N@@H+](CCOC(c1ccccc1)c1ccccc1)CC(C)(C)C#N ZINC000433310547 338191193 /nfs/dbraw/zinc/19/11/93/338191193.db2.gz CMORGHWDYHGVQV-UHFFFAOYSA-N 1 1 322.452 4.274 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(F)(c2ccccc2)CC1 ZINC000434490297 338218154 /nfs/dbraw/zinc/21/81/54/338218154.db2.gz CHLVFTIGWUONMU-UHFFFAOYSA-N 1 1 312.363 4.158 20 30 DIEDMO C[C@H](NC[C@@H]1CCC[N@H+]1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283218 338265723 /nfs/dbraw/zinc/26/57/23/338265723.db2.gz LEFRERIHFLYPOS-JXFKEZNVSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H]([NH2+]C[C@@H]1CCCN1C1CCCCC1)c1cccc(C#N)c1 ZINC000436283218 338265724 /nfs/dbraw/zinc/26/57/24/338265724.db2.gz LEFRERIHFLYPOS-JXFKEZNVSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H](NC[C@H]1CCC[N@H+]1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291071 338266576 /nfs/dbraw/zinc/26/65/76/338266576.db2.gz KPHDBFQKXCKRTF-OXJNMPFZSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@H]([NH2+]C[C@H]1CCCN1C1CCCCC1)c1ccc(C#N)cc1 ZINC000436291071 338266577 /nfs/dbraw/zinc/26/65/77/338266577.db2.gz KPHDBFQKXCKRTF-OXJNMPFZSA-N 1 1 311.473 4.006 20 30 DIEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437402594 338309103 /nfs/dbraw/zinc/30/91/03/338309103.db2.gz HIJJGLXIISKHMC-NSHDSACASA-N 1 1 322.380 4.414 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437428438 338309813 /nfs/dbraw/zinc/30/98/13/338309813.db2.gz SEMWGKBBXWDQMF-CYBMUJFWSA-N 1 1 316.351 4.353 20 30 DIEDMO 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RUUBATDKJYLEOP-GFCCVEGCSA-N 1 1 321.218 4.131 20 30 DIEDMO N#CC1(F)CC[NH+](Cc2ccccc2Oc2ccccc2)CC1 ZINC000510903546 340314395 /nfs/dbraw/zinc/31/43/95/340314395.db2.gz RKALCOHXYIGGHX-UHFFFAOYSA-N 1 1 310.372 4.307 20 30 DIEDMO Cc1cccc(C)c1OCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000303442623 340325725 /nfs/dbraw/zinc/32/57/25/340325725.db2.gz BCBZBKLPQUKXJB-UHFFFAOYSA-N 1 1 308.425 4.076 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(Cl)cc2C#N)C1 ZINC000511358949 340325915 /nfs/dbraw/zinc/32/59/15/340325915.db2.gz KAVHRNJERPMSAM-AWEZNQCLSA-N 1 1 305.853 4.136 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1F ZINC000511536975 340329895 /nfs/dbraw/zinc/32/98/95/340329895.db2.gz MKHRGNRRLHPBMS-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1ccccc1F ZINC000511536975 340329896 /nfs/dbraw/zinc/32/98/96/340329896.db2.gz MKHRGNRRLHPBMS-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511605826 340332184 /nfs/dbraw/zinc/33/21/84/340332184.db2.gz LFGHPJNMXIEDOG-SFHVURJKSA-N 1 1 312.800 4.037 20 30 DIEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511605826 340332185 /nfs/dbraw/zinc/33/21/85/340332185.db2.gz LFGHPJNMXIEDOG-SFHVURJKSA-N 1 1 312.800 4.037 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OCC)cc1)Cc1cccc(C#N)c1 ZINC000512038793 340346255 /nfs/dbraw/zinc/34/62/55/340346255.db2.gz VCFFGWQDGBXTFR-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO C=C(C)C[N@@H+](CCCCc1ccccc1)Cc1ccc(CO)o1 ZINC000512182364 340351291 /nfs/dbraw/zinc/35/12/91/340351291.db2.gz RTGKFPKWRIKEKR-UHFFFAOYSA-N 1 1 313.441 4.173 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1conc1Cc1ccccc1 ZINC000512250658 340354224 /nfs/dbraw/zinc/35/42/24/340354224.db2.gz DFMDYDVUSYCOKN-UHFFFAOYSA-N 1 1 322.408 4.089 20 30 DIEDMO COc1ccc(C2([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512287421 340355454 /nfs/dbraw/zinc/35/54/54/340355454.db2.gz HWFPRUWLRNEHEL-ZDUSSCGKSA-N 1 1 310.372 4.046 20 30 DIEDMO COc1ccc(C2([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)cc1 ZINC000512287420 340355565 /nfs/dbraw/zinc/35/55/65/340355565.db2.gz HWFPRUWLRNEHEL-CYBMUJFWSA-N 1 1 310.372 4.046 20 30 DIEDMO CCOc1ccccc1C1=CC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000512390131 340360083 /nfs/dbraw/zinc/36/00/83/340360083.db2.gz ZDTNNZZZIJAMLR-UHFFFAOYSA-N 1 1 324.449 4.308 20 30 DIEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000512390131 340360084 /nfs/dbraw/zinc/36/00/84/340360084.db2.gz ZDTNNZZZIJAMLR-UHFFFAOYSA-N 1 1 324.449 4.308 20 30 DIEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449009 340362271 /nfs/dbraw/zinc/36/22/71/340362271.db2.gz ANIGDTQODJPIJV-WMZOPIPTSA-N 1 1 314.473 4.003 20 30 DIEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000512449006 340362432 /nfs/dbraw/zinc/36/24/32/340362432.db2.gz ANIGDTQODJPIJV-AEFFLSMTSA-N 1 1 314.473 4.003 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1F ZINC000512479773 340363362 /nfs/dbraw/zinc/36/33/62/340363362.db2.gz IXGSZCRCUYJPCP-SFHVURJKSA-N 1 1 312.363 4.044 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000512532720 340365741 /nfs/dbraw/zinc/36/57/41/340365741.db2.gz UNAKLEUHNWBHRO-QGZVFWFLSA-N 1 1 322.456 4.475 20 30 DIEDMO CC(C)Oc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512621206 340369387 /nfs/dbraw/zinc/36/93/87/340369387.db2.gz VJLNPAIRGVKNAS-CQSZACIVSA-N 1 1 312.388 4.335 20 30 DIEDMO COc1ccc(Cl)cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512624950 340369735 /nfs/dbraw/zinc/36/97/35/340369735.db2.gz LAOLJVGEWFORBB-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccccc1[N+](=O)[O-] ZINC000512624040 340369755 /nfs/dbraw/zinc/36/97/55/340369755.db2.gz HLOPRGLBZBJQDM-NWDGAFQWSA-N 1 1 313.332 4.017 20 30 DIEDMO CCc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512667064 340372004 /nfs/dbraw/zinc/37/20/04/340372004.db2.gz NXVAOLLWBRESCD-BFUOFWGJSA-N 1 1 324.399 4.434 20 30 DIEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Cl)c1Cl ZINC000173857049 340376135 /nfs/dbraw/zinc/37/61/35/340376135.db2.gz JAUVBYXMGCWCGR-UHFFFAOYSA-N 1 1 303.258 4.072 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccccc1OC)c1ccc(F)c(F)c1 ZINC000187372573 340519496 /nfs/dbraw/zinc/51/94/96/340519496.db2.gz WIJOZFNXZUGRGH-GOSISDBHSA-N 1 1 303.352 4.380 20 30 DIEDMO C=CC1CC[NH+](Cc2nnc(-c3cc(C)c(CC)s3)o2)CC1 ZINC000522083426 340569864 /nfs/dbraw/zinc/56/98/64/340569864.db2.gz UQTQLGNKMJMWNY-UHFFFAOYSA-N 1 1 317.458 4.067 20 30 DIEDMO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1cccc(F)c1F ZINC000538234905 340814445 /nfs/dbraw/zinc/81/44/45/340814445.db2.gz LOWNSVMQVNWLCI-GFCCVEGCSA-N 1 1 305.755 4.321 20 30 DIEDMO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cc(F)ccc1F ZINC000539361492 340882442 /nfs/dbraw/zinc/88/24/42/340882442.db2.gz XWXUPHFHVQHALJ-GOSISDBHSA-N 1 1 303.327 4.196 20 30 DIEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540590023 340936695 /nfs/dbraw/zinc/93/66/95/340936695.db2.gz SOTMQRJBVSRSBH-HNNXBMFYSA-N 1 1 324.399 4.359 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000130276764 341011924 /nfs/dbraw/zinc/01/19/24/341011924.db2.gz QKIANVFCINQNAH-LBPRGKRZSA-N 1 1 300.789 4.071 20 30 DIEDMO CCn1c2ccccc2nc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000130382898 341020475 /nfs/dbraw/zinc/02/04/75/341020475.db2.gz SKZUPMIHFJAPRP-KRWDZBQOSA-N 1 1 318.424 4.191 20 30 DIEDMO N#CCC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1ccccc1 ZINC000130523596 341026286 /nfs/dbraw/zinc/02/62/86/341026286.db2.gz TWVZSHTVDDGNGQ-FQEVSTJZSA-N 1 1 316.408 4.007 20 30 DIEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(Cl)c1 ZINC000130590378 341030540 /nfs/dbraw/zinc/03/05/40/341030540.db2.gz UWSZZNCTLNHNSI-SFHVURJKSA-N 1 1 314.816 4.483 20 30 DIEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000543139260 341033641 /nfs/dbraw/zinc/03/36/41/341033641.db2.gz OQOPCSAJQCFANN-INIZCTEOSA-N 1 1 303.409 4.207 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCC(C)(C)C#N)c1 ZINC000543172999 341035099 /nfs/dbraw/zinc/03/50/99/341035099.db2.gz YKOIUTMLJWJHIE-MAUKXSAKSA-N 1 1 300.446 4.408 20 30 DIEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2ccc(F)c(C#N)c2)c1 ZINC000543172728 341035175 /nfs/dbraw/zinc/03/51/75/341035175.db2.gz LVSKEYFBOYOWOZ-JLTOFOAXSA-N 1 1 324.399 4.289 20 30 DIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000543193090 341036274 /nfs/dbraw/zinc/03/62/74/341036274.db2.gz YJIWYWIOYJSNSL-QGZVFWFLSA-N 1 1 322.452 4.072 20 30 DIEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)c1 ZINC000543204176 341036504 /nfs/dbraw/zinc/03/65/04/341036504.db2.gz ZRKMSNUGFITTKM-NRFANRHFSA-N 1 1 319.452 4.156 20 30 DIEDMO CSc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543414179 341043133 /nfs/dbraw/zinc/04/31/33/341043133.db2.gz SQSQWTCWKUOUFM-UHFFFAOYSA-N 1 1 308.450 4.445 20 30 DIEDMO CCOc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000543414298 341043144 /nfs/dbraw/zinc/04/31/44/341043144.db2.gz XCBFVLWSCGEBHC-UHFFFAOYSA-N 1 1 306.409 4.122 20 30 DIEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(CC#N)cc3)CC2)c1 ZINC000544068635 341069040 /nfs/dbraw/zinc/06/90/40/341069040.db2.gz UAJSSRCKOFGJHO-UHFFFAOYSA-N 1 1 318.420 4.051 20 30 DIEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1C(F)(F)F ZINC000544069767 341069083 /nfs/dbraw/zinc/06/90/83/341069083.db2.gz PIPQYTHICFSZMY-UHFFFAOYSA-N 1 1 318.342 4.403 20 30 DIEDMO N#CCc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000544143771 341071881 /nfs/dbraw/zinc/07/18/81/341071881.db2.gz KJENKERNGNMHRT-UHFFFAOYSA-N 1 1 308.400 4.099 20 30 DIEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH2+][C@@H](CC)CC#N ZINC000545164923 341110892 /nfs/dbraw/zinc/11/08/92/341110892.db2.gz KEMICWAHERAKGW-YOEHRIQHSA-N 1 1 305.441 4.090 20 30 DIEDMO N#CCSCCC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000080626552 341274244 /nfs/dbraw/zinc/27/42/44/341274244.db2.gz QUFQGCQYEKZSEU-FQEVSTJZSA-N 1 1 322.477 4.281 20 30 DIEDMO C=CCCC[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137123 341286751 /nfs/dbraw/zinc/28/67/51/341286751.db2.gz KTUIJBVMNHFIEF-GFCCVEGCSA-N 1 1 305.422 4.303 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000549137123 341286752 /nfs/dbraw/zinc/28/67/52/341286752.db2.gz KTUIJBVMNHFIEF-GFCCVEGCSA-N 1 1 305.422 4.303 20 30 DIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000549527939 341296440 /nfs/dbraw/zinc/29/64/40/341296440.db2.gz YNHKDIPNYYDUKC-NVXWUHKLSA-N 1 1 305.425 4.258 20 30 DIEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC000245921424 341318312 /nfs/dbraw/zinc/31/83/12/341318312.db2.gz GPAJNFDGEYJQEM-VQTJNVASSA-N 1 1 309.457 4.165 20 30 DIEDMO N#Cc1cccc(C2([NH2+]Cc3cc(F)ccc3Cl)CC2)c1 ZINC000551708056 341349716 /nfs/dbraw/zinc/34/97/16/341349716.db2.gz GFJWSMINEGLFDC-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000552069010 341367313 /nfs/dbraw/zinc/36/73/13/341367313.db2.gz ZOGFCBPXLXVFSG-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2ccncc2)cc1 ZINC000552069010 341367314 /nfs/dbraw/zinc/36/73/14/341367314.db2.gz ZOGFCBPXLXVFSG-LJQANCHMSA-N 1 1 308.425 4.230 20 30 DIEDMO C=CCC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccco1 ZINC000552276451 341383286 /nfs/dbraw/zinc/38/32/86/341383286.db2.gz YIRPHFFFSBQMDQ-ROUUACIJSA-N 1 1 304.478 4.245 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000552286129 341384375 /nfs/dbraw/zinc/38/43/75/341384375.db2.gz KGPNGOJBUQTPIN-YVEFUNNKSA-N 1 1 300.402 4.342 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000552290907 341384619 /nfs/dbraw/zinc/38/46/19/341384619.db2.gz YVYCTOKYHDJEIP-PXAZEXFGSA-N 1 1 300.402 4.342 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000552316502 341386090 /nfs/dbraw/zinc/38/60/90/341386090.db2.gz CFRYQDBTTYTBMJ-AWEZNQCLSA-N 1 1 302.830 4.263 20 30 DIEDMO C[C@H]([NH2+][C@@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000554372773 341451985 /nfs/dbraw/zinc/45/19/85/341451985.db2.gz VOFLGZJALAZVJI-FHGNATFXSA-N 1 1 314.335 4.009 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)c(OCCC(C)C)c1 ZINC000153512179 341543280 /nfs/dbraw/zinc/54/32/80/341543280.db2.gz FBBFFVJCWYZGDP-UHFFFAOYSA-N 1 1 312.413 4.174 20 30 DIEDMO COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000573966302 341744468 /nfs/dbraw/zinc/74/44/68/341744468.db2.gz QZXBEJPJGQAHCJ-PXAZEXFGSA-N 1 1 310.372 4.044 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)o1 ZINC000380111255 341898342 /nfs/dbraw/zinc/89/83/42/341898342.db2.gz ZOASQAYFCGQLOW-UHFFFAOYSA-N 1 1 318.376 4.020 20 30 DIEDMO CC(C)c1[nH+]ccn1Cc1cccc(NCc2ccc(C#N)o2)c1 ZINC000156734172 519880107 /nfs/dbraw/zinc/88/01/07/519880107.db2.gz XNHJWXMUALQJFJ-UHFFFAOYSA-N 1 1 320.396 4.132 20 30 DIEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266546146 521890519 /nfs/dbraw/zinc/89/05/19/521890519.db2.gz RNHLXMAPBJJPOZ-YOEHRIQHSA-N 1 1 324.428 4.009 20 30 DIEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)c2ccc(C#N)cc2)o1 ZINC000131304103 523023154 /nfs/dbraw/zinc/02/31/54/523023154.db2.gz ATELKDJSJAYAMK-RDTXWAMCSA-N 1 1 310.397 4.196 20 30 DIEDMO C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(C#N)c1 ZINC000181437149 525457065 /nfs/dbraw/zinc/45/70/65/525457065.db2.gz WHLRXGIKNTWAIJ-KRWDZBQOSA-N 1 1 319.452 4.005 20 30 DIEDMO C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cccc(C#N)c1 ZINC000181430850 525666692 /nfs/dbraw/zinc/66/66/92/525666692.db2.gz RNSDFNXGZRKEAO-DYESRHJHSA-N 1 1 319.452 4.046 20 30 DIEDMO C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615421 1050656839 /nfs/dbraw/zinc/65/68/39/1050656839.db2.gz QWKQOPVKKSUOEP-OLZOCXBDSA-N 1 1 307.235 4.136 20 30 DIEDMO C=C(Br)C[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC001460194668 1062692219 /nfs/dbraw/zinc/69/22/19/1062692219.db2.gz IATPMMVKOSKVMO-UHFFFAOYSA-N 1 1 312.251 4.204 20 30 DIEDMO C=C(Br)C[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC001460194668 1062692229 /nfs/dbraw/zinc/69/22/29/1062692229.db2.gz IATPMMVKOSKVMO-UHFFFAOYSA-N 1 1 312.251 4.204 20 30 DIEDMO C=CCCCCCCCCC[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001207899739 1035519366 /nfs/dbraw/zinc/51/93/66/1035519366.db2.gz KRJUVUXTERWKGE-IBGZPJMESA-N 1 1 308.510 4.236 20 30 DIEDMO C#C[C@H]([NH2+]Cc1cc(C)nc(Cl)c1)c1ccc(Cl)cc1 ZINC000811516189 1035645665 /nfs/dbraw/zinc/64/56/65/1035645665.db2.gz GORAHUQOLDGHOQ-HNNXBMFYSA-N 1 1 305.208 4.161 20 30 DIEDMO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CC[C@H]1c1ccccc1 ZINC000610216095 1035752524 /nfs/dbraw/zinc/75/25/24/1035752524.db2.gz LGLXTBMXODATSC-LAUBAEHRSA-N 1 1 320.436 4.063 20 30 DIEDMO COc1ccccc1C[N@@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC001167077782 1035797776 /nfs/dbraw/zinc/79/77/76/1035797776.db2.gz NPEDUPRYWUQLRV-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](CC)CCC(=O)OC ZINC001208789715 1035859588 /nfs/dbraw/zinc/85/95/88/1035859588.db2.gz USPHGHSVYVJWNZ-QGZVFWFLSA-N 1 1 303.446 4.044 20 30 DIEDMO CN(C)CC[N@@H+](Cc1cccc(Cl)c1)CC(C)(C)CCC#N ZINC000349063536 1035879690 /nfs/dbraw/zinc/87/96/90/1035879690.db2.gz QAZJJNSGIWADBM-UHFFFAOYSA-N 1 1 321.896 4.034 20 30 DIEDMO C[NH+](C)CCN(Cc1cccc(Cl)c1)CC(C)(C)CCC#N ZINC000349063536 1035879708 /nfs/dbraw/zinc/87/97/08/1035879708.db2.gz QAZJJNSGIWADBM-UHFFFAOYSA-N 1 1 321.896 4.034 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)ccc1OC ZINC000063300573 1035929285 /nfs/dbraw/zinc/92/92/85/1035929285.db2.gz KAHZKLNGYJHUCP-UHFFFAOYSA-N 1 1 306.409 4.064 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)ccc1OC ZINC000063300573 1035929299 /nfs/dbraw/zinc/92/92/99/1035929299.db2.gz KAHZKLNGYJHUCP-UHFFFAOYSA-N 1 1 306.409 4.064 20 30 DIEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)cc1 ZINC001208926011 1035946435 /nfs/dbraw/zinc/94/64/35/1035946435.db2.gz DSBPYSCIUSCUMB-OAQYLSRUSA-N 1 1 320.436 4.337 20 30 DIEDMO Cc1ccc(CC#N)c(N(Cc2ccccn2)C2CCCCC2)[nH+]1 ZINC001167099859 1036036577 /nfs/dbraw/zinc/03/65/77/1036036577.db2.gz JQBAVXFHLDOKMC-UHFFFAOYSA-N 1 1 320.440 4.190 20 30 DIEDMO C=CCCCC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209206987 1036060269 /nfs/dbraw/zinc/06/02/69/1036060269.db2.gz FYPJYXZCXDUQEP-UHFFFAOYSA-N 1 1 324.509 4.454 20 30 DIEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC000533532617 1036078361 /nfs/dbraw/zinc/07/83/61/1036078361.db2.gz PZRFOCJCMVGAAI-UHFFFAOYSA-N 1 1 318.486 4.166 20 30 DIEDMO C=CC[N@H+](CCOC1CCCCCC1)Cc1ccc(OC)cc1 ZINC001167117084 1036113994 /nfs/dbraw/zinc/11/39/94/1036113994.db2.gz ZNDMYYPCIHQCLC-UHFFFAOYSA-N 1 1 317.473 4.423 20 30 DIEDMO C=CCCCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209432837 1036171848 /nfs/dbraw/zinc/17/18/48/1036171848.db2.gz KPKAMCMAQGISIL-RBUKOAKNSA-N 1 1 315.457 4.359 20 30 DIEDMO C=CC[N@H+](CCCc1ccccc1OC)Cc1ccccc1F ZINC001167137562 1036173270 /nfs/dbraw/zinc/17/32/70/1036173270.db2.gz AYBOHLNHAIVZRA-UHFFFAOYSA-N 1 1 313.416 4.455 20 30 DIEDMO C=CCCCCCCCCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209442379 1036188778 /nfs/dbraw/zinc/18/87/78/1036188778.db2.gz HENJFEKMQWALPA-UHFFFAOYSA-N 1 1 304.522 4.321 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCc2ccccc2C1 ZINC001167164138 1036230653 /nfs/dbraw/zinc/23/06/53/1036230653.db2.gz NXOBSRWVVPKWHR-KRWDZBQOSA-N 1 1 310.466 4.389 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1C(F)(F)F ZINC001204463659 1036271672 /nfs/dbraw/zinc/27/16/72/1036271672.db2.gz QVAIUBXJMYHRKW-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1C(F)(F)F ZINC001204463659 1036271683 /nfs/dbraw/zinc/27/16/83/1036271683.db2.gz QVAIUBXJMYHRKW-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(Cl)ccc3OCC#N)C2)C1 ZINC000782108729 1036310178 /nfs/dbraw/zinc/31/01/78/1036310178.db2.gz VFSQKSDOBWXDIX-KSSFIOAISA-N 1 1 318.848 4.254 20 30 DIEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001167247558 1036317741 /nfs/dbraw/zinc/31/77/41/1036317741.db2.gz BBJCKDUZQDGRGE-NRFANRHFSA-N 1 1 322.452 4.026 20 30 DIEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ccc(F)cc21 ZINC001167251774 1036322538 /nfs/dbraw/zinc/32/25/38/1036322538.db2.gz IYVNSUNEHOWBGR-HXUWFJFHSA-N 1 1 306.384 4.373 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC2(CO1)CCCCC2 ZINC001167252105 1036327953 /nfs/dbraw/zinc/32/79/53/1036327953.db2.gz SUYSMUYNURLRAH-HXUWFJFHSA-N 1 1 324.468 4.286 20 30 DIEDMO CCCCCCCCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC001167267644 1036350286 /nfs/dbraw/zinc/35/02/86/1036350286.db2.gz GYZMYZPNZHDPID-IBGZPJMESA-N 1 1 316.489 4.300 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc(C(C)(C)C)cs1 ZINC000176965447 1036521369 /nfs/dbraw/zinc/52/13/69/1036521369.db2.gz IZXKPZITWNESPJ-SNVBAGLBSA-N 1 1 305.472 4.225 20 30 DIEDMO CC[N@@H+](Cc1nc2cc(F)ccc2o1)[C@H](C)c1ccc(C#N)cc1 ZINC000176979079 1036523980 /nfs/dbraw/zinc/52/39/80/1036523980.db2.gz DKGYMZCGNHLRKL-CYBMUJFWSA-N 1 1 323.371 4.422 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccccc3)CC2)ccc1F ZINC001167303217 1036559686 /nfs/dbraw/zinc/55/96/86/1036559686.db2.gz YHYJCAYZGXOXEI-SFHVURJKSA-N 1 1 308.400 4.467 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccc(C#N)cc3)[C@H](C)CO2)c1 ZINC000610370069 1036912952 /nfs/dbraw/zinc/91/29/52/1036912952.db2.gz PHDONVRYTDBXSD-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccc(C#N)cc3)[C@H](C)CO2)c1 ZINC000610370069 1036912960 /nfs/dbraw/zinc/91/29/60/1036912960.db2.gz PHDONVRYTDBXSD-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000616745359 1036997189 /nfs/dbraw/zinc/99/71/89/1036997189.db2.gz YWJCRDPGORFFJB-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645507 1037045212 /nfs/dbraw/zinc/04/52/12/1037045212.db2.gz HVWKUCLUFCTNBC-ROUUACIJSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@H](NCC[C@H](C)[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645507 1037045223 /nfs/dbraw/zinc/04/52/23/1037045223.db2.gz HVWKUCLUFCTNBC-ROUUACIJSA-N 1 1 321.468 4.119 20 30 DIEDMO C[C@H](NCC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000379645507 1037045244 /nfs/dbraw/zinc/04/52/44/1037045244.db2.gz HVWKUCLUFCTNBC-ROUUACIJSA-N 1 1 321.468 4.119 20 30 DIEDMO C=CC[N@H+](Cc1cc(C(=O)OC)cs1)CC1CCCCC1 ZINC001167392623 1037107466 /nfs/dbraw/zinc/10/74/66/1037107466.db2.gz VJYQJNJTKUCCMI-UHFFFAOYSA-N 1 1 307.459 4.103 20 30 DIEDMO CO[C@H](C)C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)C ZINC000580502404 1037171673 /nfs/dbraw/zinc/17/16/73/1037171673.db2.gz UBULGFZSLHKHSZ-QGZVFWFLSA-N 1 1 322.452 4.471 20 30 DIEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000610447702 1037207345 /nfs/dbraw/zinc/20/73/45/1037207345.db2.gz APBJTWYXVXAXJE-MOPGFXCFSA-N 1 1 314.473 4.416 20 30 DIEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnc2ccsc2c1 ZINC000177860248 1037374224 /nfs/dbraw/zinc/37/42/24/1037374224.db2.gz QUIJBIQCMZDTTC-NSHDSACASA-N 1 1 311.385 4.158 20 30 DIEDMO CC(C)(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000580960166 1037386396 /nfs/dbraw/zinc/38/63/96/1037386396.db2.gz GFCULGDJHKETLP-KRWDZBQOSA-N 1 1 315.367 4.108 20 30 DIEDMO Cc1cc(Br)ccc1C[N@@H+](C)CCC(C)(C)C#N ZINC000558119011 1037455036 /nfs/dbraw/zinc/45/50/36/1037455036.db2.gz WFQYEBRZFNUJGC-UHFFFAOYSA-N 1 1 309.251 4.129 20 30 DIEDMO CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001167452414 1037505048 /nfs/dbraw/zinc/50/50/48/1037505048.db2.gz CDUIKUNBGFNUQD-QGZVFWFLSA-N 1 1 315.417 4.257 20 30 DIEDMO C/C(=C\c1ccccc1OC(F)F)C[N@@H+](CCC#N)C(C)C ZINC000581341900 1037543777 /nfs/dbraw/zinc/54/37/77/1037543777.db2.gz OACOSUFZVOVRPP-SDNWHVSQSA-N 1 1 308.372 4.315 20 30 DIEDMO C/C(=C\c1ccccc1OC(F)F)C[N@H+](CCC#N)C(C)C ZINC000581341900 1037543794 /nfs/dbraw/zinc/54/37/94/1037543794.db2.gz OACOSUFZVOVRPP-SDNWHVSQSA-N 1 1 308.372 4.315 20 30 DIEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000581443738 1037642112 /nfs/dbraw/zinc/64/21/12/1037642112.db2.gz LJWJTFULPWMNBE-GOSISDBHSA-N 1 1 302.487 4.121 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC001167464035 1037649882 /nfs/dbraw/zinc/64/98/82/1037649882.db2.gz DSKXJEASPNCFMD-ZCNNSNEGSA-N 1 1 324.468 4.250 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCC2(CCC2)O1 ZINC001167464035 1037649893 /nfs/dbraw/zinc/64/98/93/1037649893.db2.gz DSKXJEASPNCFMD-ZCNNSNEGSA-N 1 1 324.468 4.250 20 30 DIEDMO COc1cccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C ZINC001167464376 1037657110 /nfs/dbraw/zinc/65/71/10/1037657110.db2.gz KUPBRWNRUIGPQB-VQTJNVASSA-N 1 1 320.436 4.275 20 30 DIEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001167465180 1037671742 /nfs/dbraw/zinc/67/17/42/1037671742.db2.gz VUMXUPKRRWDXFW-MJGOQNOKSA-N 1 1 307.412 4.364 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051133725 1037819158 /nfs/dbraw/zinc/81/91/58/1037819158.db2.gz BBHXJLUVVOMZNL-LEWJYISDSA-N 1 1 320.436 4.158 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1F)Cc1cc(C)cc(OC)c1O ZINC000754728264 1037835601 /nfs/dbraw/zinc/83/56/01/1037835601.db2.gz ZUZWJKZBIFPBBF-UHFFFAOYSA-N 1 1 315.388 4.037 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1F)Cc1cc(C)cc(OC)c1O ZINC000754728264 1037835628 /nfs/dbraw/zinc/83/56/28/1037835628.db2.gz ZUZWJKZBIFPBBF-UHFFFAOYSA-N 1 1 315.388 4.037 20 30 DIEDMO CCCCCCCCC/C=C/C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001625871311 1037933740 /nfs/dbraw/zinc/93/37/40/1037933740.db2.gz KGKYUVUQXUDVRU-BUHFOSPRSA-N 1 1 308.510 4.236 20 30 DIEDMO C=CC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000597983730 1037995023 /nfs/dbraw/zinc/99/50/23/1037995023.db2.gz FPWJMFMRIGWBHS-UHFFFAOYSA-N 1 1 301.409 4.046 20 30 DIEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1cc2ccccc2o1 ZINC000602447255 1038009651 /nfs/dbraw/zinc/00/96/51/1038009651.db2.gz CGKGDWXSWOFSEY-CQSZACIVSA-N 1 1 305.381 4.283 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(Cl)cc1F ZINC000602595526 1038043296 /nfs/dbraw/zinc/04/32/96/1038043296.db2.gz CGQPQCAAHUVOHT-QGZVFWFLSA-N 1 1 317.795 4.233 20 30 DIEDMO CC(C)c1nc([C@@H]2CCCCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000602597328 1038043888 /nfs/dbraw/zinc/04/38/88/1038043888.db2.gz AWUSMRZQJBWQGL-CABCVRRESA-N 1 1 304.438 4.050 20 30 DIEDMO CC(C)c1nc([C@@H]2CCCCC[N@@H+]2C[C@H](C)CCC#N)no1 ZINC000602597328 1038043904 /nfs/dbraw/zinc/04/39/04/1038043904.db2.gz AWUSMRZQJBWQGL-CABCVRRESA-N 1 1 304.438 4.050 20 30 DIEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000602654459 1038061424 /nfs/dbraw/zinc/06/14/24/1038061424.db2.gz UOXHFQQVKANESL-IAGOWNOFSA-N 1 1 315.461 4.056 20 30 DIEDMO C[C@H](CCC#N)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000602657946 1038062819 /nfs/dbraw/zinc/06/28/19/1038062819.db2.gz VCHLHTZNCFYLSD-GOSISDBHSA-N 1 1 307.441 4.066 20 30 DIEDMO CCCC[N@@H+](C[C@@H](C)CCC#N)[C@@H]1CCc2ncsc2C1 ZINC000602701119 1038072220 /nfs/dbraw/zinc/07/22/20/1038072220.db2.gz ASESAWSCYIDTPK-LSDHHAIUSA-N 1 1 305.491 4.042 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598594708 1038130023 /nfs/dbraw/zinc/13/00/23/1038130023.db2.gz IFGMPFFEELHRGL-GRDNDAEWSA-N 1 1 322.880 4.065 20 30 DIEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598596849 1038129437 /nfs/dbraw/zinc/12/94/37/1038129437.db2.gz UMCNKZAMQRJMFM-PKOBYXMFSA-N 1 1 314.473 4.131 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598594467 1038129788 /nfs/dbraw/zinc/12/97/88/1038129788.db2.gz KKSIBAHMVDHBNC-CXAGYDPISA-N 1 1 320.864 4.166 20 30 DIEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000598613610 1038132178 /nfs/dbraw/zinc/13/21/78/1038132178.db2.gz KNYMHOJJURSHNG-SJORKVTESA-N 1 1 320.864 4.168 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1C ZINC000061001594 1038157544 /nfs/dbraw/zinc/15/75/44/1038157544.db2.gz CITIIUZWOPPGAH-UHFFFAOYSA-N 1 1 323.396 4.187 20 30 DIEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nsc2ccccc12 ZINC000603427809 1038206232 /nfs/dbraw/zinc/20/62/32/1038206232.db2.gz FSPAIPVTKHJCHB-KRWDZBQOSA-N 1 1 319.433 4.335 20 30 DIEDMO COCCCC[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891811163 1038210075 /nfs/dbraw/zinc/21/00/75/1038210075.db2.gz YWLBGYONNRRFRX-UHFFFAOYSA-N 1 1 314.454 4.049 20 30 DIEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1C ZINC000603629562 1038255488 /nfs/dbraw/zinc/25/54/88/1038255488.db2.gz KSFQIONILHFQAR-UHFFFAOYSA-N 1 1 303.409 4.142 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000093439460 1038299957 /nfs/dbraw/zinc/29/99/57/1038299957.db2.gz GMKYRNNVICJFNB-PXNSSMCTSA-N 1 1 310.441 4.300 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c(F)c1 ZINC000603855789 1038301744 /nfs/dbraw/zinc/30/17/44/1038301744.db2.gz QPWKJAALVDGRGZ-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2cc(C#N)ccc2F)C(C)C)s1 ZINC000065161930 1038377249 /nfs/dbraw/zinc/37/72/49/1038377249.db2.gz QJOXIIMORHEVPH-UHFFFAOYSA-N 1 1 302.418 4.478 20 30 DIEDMO C[C@]1(F)CC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000535840043 1038391830 /nfs/dbraw/zinc/39/18/30/1038391830.db2.gz SZUCJXZOFOWEBQ-FQEVSTJZSA-N 1 1 324.399 4.071 20 30 DIEDMO N#Cc1cc(C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)ccn1 ZINC000610956665 1038407842 /nfs/dbraw/zinc/40/78/42/1038407842.db2.gz MEBONSMWYGULGL-SFHVURJKSA-N 1 1 323.396 4.033 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000926317898 1038409710 /nfs/dbraw/zinc/40/97/10/1038409710.db2.gz RYPCTOAGWFNZNJ-DTWKUNHWSA-N 1 1 305.369 4.141 20 30 DIEDMO CCC[N@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000604493306 1038419946 /nfs/dbraw/zinc/41/99/46/1038419946.db2.gz IKTLOKCAKCNLFX-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1F)Cc1ccc(C#N)cc1F ZINC000604493306 1038419950 /nfs/dbraw/zinc/41/99/50/1038419950.db2.gz IKTLOKCAKCNLFX-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO COc1cccc(C[N@H+](Cc2cccc(C#N)c2)CC(C)C)c1 ZINC000604494714 1038420935 /nfs/dbraw/zinc/42/09/35/1038420935.db2.gz YEFJGAWNYUQDEV-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)ccn1 ZINC000610994670 1038425653 /nfs/dbraw/zinc/42/56/53/1038425653.db2.gz MJQONWHLZYMDCX-KUFMOJEASA-N 1 1 317.436 4.411 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994433 1038425733 /nfs/dbraw/zinc/42/57/33/1038425733.db2.gz ZNQXXGNXBWIZJY-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2ccnc(C#N)c2)o1 ZINC000610994433 1038425738 /nfs/dbraw/zinc/42/57/38/1038425738.db2.gz ZNQXXGNXBWIZJY-KSSFIOAISA-N 1 1 309.413 4.082 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nccn1C)c1ccc(C(F)(F)F)cc1 ZINC000342205527 1038475570 /nfs/dbraw/zinc/47/55/70/1038475570.db2.gz MTAFXMPMPPKRLB-HNNXBMFYSA-N 1 1 323.362 4.236 20 30 DIEDMO C=CCCC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000605150867 1038494230 /nfs/dbraw/zinc/49/42/30/1038494230.db2.gz SUIYURJJHOTWSI-UHFFFAOYSA-N 1 1 301.409 4.046 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2csc(C#N)c2)s1 ZINC000892101710 1038514423 /nfs/dbraw/zinc/51/44/23/1038514423.db2.gz BLWRSFBNILTKNE-LLVKDONJSA-N 1 1 305.472 4.140 20 30 DIEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2csc(C#N)c2)s1 ZINC000892101710 1038514434 /nfs/dbraw/zinc/51/44/34/1038514434.db2.gz BLWRSFBNILTKNE-LLVKDONJSA-N 1 1 305.472 4.140 20 30 DIEDMO CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000157612255 1038541128 /nfs/dbraw/zinc/54/11/28/1038541128.db2.gz NYKZPXMAXFYRAH-SFHVURJKSA-N 1 1 313.445 4.448 20 30 DIEDMO CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000157612255 1038541135 /nfs/dbraw/zinc/54/11/35/1038541135.db2.gz NYKZPXMAXFYRAH-SFHVURJKSA-N 1 1 313.445 4.448 20 30 DIEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001167516324 1038542937 /nfs/dbraw/zinc/54/29/37/1038542937.db2.gz DRGFFEPEDCLOQO-OAQYLSRUSA-N 1 1 309.428 4.439 20 30 DIEDMO C=CCCC[N@H+](C)CC(=O)N(CC)c1cccc2ccccc21 ZINC000605740688 1038550354 /nfs/dbraw/zinc/55/03/54/1038550354.db2.gz NJXRMQNQDHOLNZ-UHFFFAOYSA-N 1 1 310.441 4.091 20 30 DIEDMO C=CCCC[N@@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000605742821 1038550640 /nfs/dbraw/zinc/55/06/40/1038550640.db2.gz CBPRMKQUOWKRBS-UHFFFAOYSA-N 1 1 316.470 4.429 20 30 DIEDMO C=CCCC[N@H+](C)Cc1csc(COc2ccc(C)cc2)n1 ZINC000605742821 1038550651 /nfs/dbraw/zinc/55/06/51/1038550651.db2.gz CBPRMKQUOWKRBS-UHFFFAOYSA-N 1 1 316.470 4.429 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001167550537 1038590701 /nfs/dbraw/zinc/59/07/01/1038590701.db2.gz WEKQVUMQJPEKBE-IBGZPJMESA-N 1 1 312.457 4.233 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC001167550537 1038590706 /nfs/dbraw/zinc/59/07/06/1038590706.db2.gz WEKQVUMQJPEKBE-IBGZPJMESA-N 1 1 312.457 4.233 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)nc1 ZINC000593976721 1038600295 /nfs/dbraw/zinc/60/02/95/1038600295.db2.gz YJROPERSXLDGJC-HBMCJLEFSA-N 1 1 317.436 4.111 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)nc1 ZINC000593977755 1038600683 /nfs/dbraw/zinc/60/06/83/1038600683.db2.gz VCXBCLSAWLNXBU-HJCTWCACSA-N 1 1 323.465 4.473 20 30 DIEDMO CCCc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594033282 1038623605 /nfs/dbraw/zinc/62/36/05/1038623605.db2.gz YOVQTKONSJEIIE-UHFFFAOYSA-N 1 1 311.454 4.136 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1ccc(C#N)cc1F ZINC000611586163 1038631581 /nfs/dbraw/zinc/63/15/81/1038631581.db2.gz HBDPPJLNKUZMCW-GHMZBOCLSA-N 1 1 304.315 4.387 20 30 DIEDMO C=CCCCCCN(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000606932482 1038637612 /nfs/dbraw/zinc/63/76/12/1038637612.db2.gz BGJCHTGUCZOXJO-QGZVFWFLSA-N 1 1 322.880 4.148 20 30 DIEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3ccc(C(C)C)cc32)nn1 ZINC000657421315 1038658631 /nfs/dbraw/zinc/65/86/31/1038658631.db2.gz LBTNGOZLDWSCLH-HXUWFJFHSA-N 1 1 324.472 4.145 20 30 DIEDMO FC(F)(F)CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607151064 1038659293 /nfs/dbraw/zinc/65/92/93/1038659293.db2.gz OGOKMUXRVFYJSP-KNVOCYPGSA-N 1 1 317.195 4.002 20 30 DIEDMO FC(F)(F)CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000607151064 1038659296 /nfs/dbraw/zinc/65/92/96/1038659296.db2.gz OGOKMUXRVFYJSP-KNVOCYPGSA-N 1 1 317.195 4.002 20 30 DIEDMO CC[N@@H+](Cc1cccc2c[nH]nc21)[C@H](C)c1ccc(C#N)cc1 ZINC000119860137 1038681253 /nfs/dbraw/zinc/68/12/53/1038681253.db2.gz UTQXAVXFGTVYMW-CQSZACIVSA-N 1 1 304.397 4.018 20 30 DIEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)c1F ZINC001167619450 1038938948 /nfs/dbraw/zinc/93/89/48/1038938948.db2.gz LRNNDLIIDDJPRR-DOTOQJQBSA-N 1 1 308.400 4.150 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC001167640426 1039039656 /nfs/dbraw/zinc/03/96/56/1039039656.db2.gz ASHRQTVZFAVFRJ-GOSISDBHSA-N 1 1 316.489 4.099 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000154839237 1039218469 /nfs/dbraw/zinc/21/84/69/1039218469.db2.gz NTXJSBKDAAQHIY-UHFFFAOYSA-N 1 1 320.440 4.200 20 30 DIEDMO Cc1ccc(C[N@@H+](CCc2ccccc2)CC2(C#N)CC2)s1 ZINC000539461715 1039266320 /nfs/dbraw/zinc/26/63/20/1039266320.db2.gz SKMTUTWNRYWSIY-UHFFFAOYSA-N 1 1 310.466 4.405 20 30 DIEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000150882687 1039266765 /nfs/dbraw/zinc/26/67/65/1039266765.db2.gz BMKBXHVSXAHUMN-KRWDZBQOSA-N 1 1 302.462 4.309 20 30 DIEDMO Cc1c(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1Br ZINC001233222326 1039335723 /nfs/dbraw/zinc/33/57/23/1039335723.db2.gz OWUMMNNTWSEFOI-CQSZACIVSA-N 1 1 321.262 4.192 20 30 DIEDMO CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000539825752 1039344680 /nfs/dbraw/zinc/34/46/80/1039344680.db2.gz TYQAYYICUSMOMS-RTWAWAEBSA-N 1 1 320.436 4.357 20 30 DIEDMO CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000539825752 1039344698 /nfs/dbraw/zinc/34/46/98/1039344698.db2.gz TYQAYYICUSMOMS-RTWAWAEBSA-N 1 1 320.436 4.357 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](C[C@H](C)c1cccc(Br)c1)C1CC1 ZINC000539825467 1039345834 /nfs/dbraw/zinc/34/58/34/1039345834.db2.gz TZZLYFJATVEELZ-STQMWFEESA-N 1 1 321.262 4.177 20 30 DIEDMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000539826063 1039351607 /nfs/dbraw/zinc/35/16/07/1039351607.db2.gz HCDBYAGXILYVPX-WOJBJXKFSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000539826063 1039351617 /nfs/dbraw/zinc/35/16/17/1039351617.db2.gz HCDBYAGXILYVPX-WOJBJXKFSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000539826060 1039352517 /nfs/dbraw/zinc/35/25/17/1039352517.db2.gz HCDBYAGXILYVPX-PMACEKPBSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000539826060 1039352527 /nfs/dbraw/zinc/35/25/27/1039352527.db2.gz HCDBYAGXILYVPX-PMACEKPBSA-N 1 1 308.400 4.406 20 30 DIEDMO C[C@@H](CCc1ccccc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583528635 1039362897 /nfs/dbraw/zinc/36/28/97/1039362897.db2.gz DYVADBTUNWPDJK-SFHVURJKSA-N 1 1 322.452 4.028 20 30 DIEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(C)c1OC(F)F ZINC000539862383 1039374135 /nfs/dbraw/zinc/37/41/35/1039374135.db2.gz IDYYAHXHNDEWTH-LLVKDONJSA-N 1 1 308.372 4.029 20 30 DIEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(C)c1OC(F)F ZINC000539862383 1039374147 /nfs/dbraw/zinc/37/41/47/1039374147.db2.gz IDYYAHXHNDEWTH-LLVKDONJSA-N 1 1 308.372 4.029 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000539861958 1039374829 /nfs/dbraw/zinc/37/48/29/1039374829.db2.gz CDOKDWIPJLTXSK-INIZCTEOSA-N 1 1 320.436 4.486 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000539861958 1039374845 /nfs/dbraw/zinc/37/48/45/1039374845.db2.gz CDOKDWIPJLTXSK-INIZCTEOSA-N 1 1 320.436 4.486 20 30 DIEDMO CCCOc1ccc2c(c1)CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000539912175 1039391588 /nfs/dbraw/zinc/39/15/88/1039391588.db2.gz MPHSWNRCKSXPKB-UHFFFAOYSA-N 1 1 300.446 4.163 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 ZINC000566624237 1039402921 /nfs/dbraw/zinc/40/29/21/1039402921.db2.gz PNLOWVJCETUCBY-XJKSGUPXSA-N 1 1 308.347 4.342 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)c2cccs2)cc1 ZINC000157818327 1039475502 /nfs/dbraw/zinc/47/55/02/1039475502.db2.gz NCIHMRMGPWLZEX-KGLIPLIRSA-N 1 1 300.427 4.232 20 30 DIEDMO Fc1ccc(C#CC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1 ZINC000540375900 1039484353 /nfs/dbraw/zinc/48/43/53/1039484353.db2.gz LNSHZYVRSOTNAN-KRWDZBQOSA-N 1 1 321.317 4.461 20 30 DIEDMO Cc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)co2)cc1 ZINC000540593843 1039524082 /nfs/dbraw/zinc/52/40/82/1039524082.db2.gz SXAADMCFMWUKDQ-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000540663880 1039540780 /nfs/dbraw/zinc/54/07/80/1039540780.db2.gz PEXQXVLCCKSPBP-ZDUSSCGKSA-N 1 1 315.392 4.086 20 30 DIEDMO CCN(CCC(C)(C)C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000540667675 1039541086 /nfs/dbraw/zinc/54/10/86/1039541086.db2.gz HCGZRCOLDDKVDP-MJGOQNOKSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000540667675 1039541096 /nfs/dbraw/zinc/54/10/96/1039541096.db2.gz HCGZRCOLDDKVDP-MJGOQNOKSA-N 1 1 313.489 4.084 20 30 DIEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000540667675 1039541116 /nfs/dbraw/zinc/54/11/16/1039541116.db2.gz HCGZRCOLDDKVDP-MJGOQNOKSA-N 1 1 313.489 4.084 20 30 DIEDMO N#CCC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000540994183 1039602746 /nfs/dbraw/zinc/60/27/46/1039602746.db2.gz VXTHSADDRUMGCY-UHFFFAOYSA-N 1 1 314.763 4.067 20 30 DIEDMO CC[C@H]([NH2+]C1(c2nc(C)cs2)CCC1)c1ccc(C#N)cc1 ZINC000278693761 1039652031 /nfs/dbraw/zinc/65/20/31/1039652031.db2.gz KOYAAYYEAJUZJY-INIZCTEOSA-N 1 1 311.454 4.443 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000541271702 1039654509 /nfs/dbraw/zinc/65/45/09/1039654509.db2.gz AYBZLPMWLNXXOJ-UHFFFAOYSA-N 1 1 317.436 4.283 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1 ZINC000541282729 1039658633 /nfs/dbraw/zinc/65/86/33/1039658633.db2.gz RSTSTQQKEZJQNX-NRFANRHFSA-N 1 1 304.437 4.350 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000541320517 1039666134 /nfs/dbraw/zinc/66/61/34/1039666134.db2.gz YHNURPORSYBZAD-MGPUTAFESA-N 1 1 306.409 4.150 20 30 DIEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc1C ZINC000541555305 1039702755 /nfs/dbraw/zinc/70/27/55/1039702755.db2.gz WCYMYOPROYZAHG-UHFFFAOYSA-N 1 1 306.409 4.040 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(-c2ccccc2)no1 ZINC000491331729 1039777296 /nfs/dbraw/zinc/77/72/96/1039777296.db2.gz 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CCc1ccc(C[N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)cc1 ZINC001140754967 1040668170 /nfs/dbraw/zinc/66/81/70/1040668170.db2.gz QMWJGEJICCJAJY-UHFFFAOYSA-N 1 1 300.352 4.031 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000661379020 1040775485 /nfs/dbraw/zinc/77/54/85/1040775485.db2.gz QRORRJZFBMMAHL-QWHCGFSZSA-N 1 1 303.431 4.147 20 30 DIEDMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222599 1040846239 /nfs/dbraw/zinc/84/62/39/1040846239.db2.gz FHFMITFXJGYNMQ-LLVKDONJSA-N 1 1 308.303 4.363 20 30 DIEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222599 1040846253 /nfs/dbraw/zinc/84/62/53/1040846253.db2.gz FHFMITFXJGYNMQ-LLVKDONJSA-N 1 1 308.303 4.363 20 30 DIEDMO CC[N@@H+](CCCc1cnccc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000582267786 1040914170 /nfs/dbraw/zinc/91/41/70/1040914170.db2.gz KNHJXDZTUKAWPA-QGZVFWFLSA-N 1 1 307.441 4.277 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(C)nc1C)c1ccc(F)c(F)c1 ZINC000187790624 1040929853 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C#CCCOc1ccc(C[N@H+](CC)[C@H](C)c2cccnc2)cc1 ZINC000809766111 1041249408 /nfs/dbraw/zinc/24/94/08/1041249408.db2.gz VCRPONVEYDXRPK-QGZVFWFLSA-N 1 1 308.425 4.067 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290268203 1041404560 /nfs/dbraw/zinc/40/45/60/1041404560.db2.gz XOZZMPZRSBXWPY-PHIMTYICSA-N 1 1 302.365 4.173 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000728711926 1041479436 /nfs/dbraw/zinc/47/94/36/1041479436.db2.gz OPIXKFKCKKXCQX-LBPRGKRZSA-N 1 1 318.779 4.060 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnc(Cl)c1Cl ZINC000811488141 1041522752 /nfs/dbraw/zinc/52/27/52/1041522752.db2.gz LWXVIZPVDLYBAI-UHFFFAOYSA-N 1 1 311.212 4.212 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(Cl)c1Cl ZINC000811488141 1041522758 /nfs/dbraw/zinc/52/27/58/1041522758.db2.gz LWXVIZPVDLYBAI-UHFFFAOYSA-N 1 1 311.212 4.212 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cnc2ccccc2c1)c1ccc(Cl)cc1 ZINC000811516599 1041530068 /nfs/dbraw/zinc/53/00/68/1041530068.db2.gz 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C=CC[C@@H](C(=O)OC)[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC001170980394 1042276277 /nfs/dbraw/zinc/27/62/77/1042276277.db2.gz HODMQCKUSGBMDS-ZWKOTPCHSA-N 1 1 313.441 4.112 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822659120 1042296557 /nfs/dbraw/zinc/29/65/57/1042296557.db2.gz LQIVPYWYXAAHQD-BZUAXINKSA-N 1 1 323.267 4.342 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC000822659120 1042296562 /nfs/dbraw/zinc/29/65/62/1042296562.db2.gz LQIVPYWYXAAHQD-BZUAXINKSA-N 1 1 323.267 4.342 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000728901592 1042301406 /nfs/dbraw/zinc/30/14/06/1042301406.db2.gz NUVMZKCPHIAWBT-UHFFFAOYSA-N 1 1 318.461 4.157 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000728901592 1042301407 /nfs/dbraw/zinc/30/14/07/1042301407.db2.gz NUVMZKCPHIAWBT-UHFFFAOYSA-N 1 1 318.461 4.157 20 30 DIEDMO N#CCCC[C@H]([NH3+])c1nc(C2CCC(c3ccccc3)CC2)no1 ZINC000823259638 1042318003 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Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171535 1042421672 /nfs/dbraw/zinc/42/16/72/1042421672.db2.gz OQOSCTBBOUYHON-UHFFFAOYSA-N 1 1 315.848 4.112 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178421 1042422151 /nfs/dbraw/zinc/42/21/51/1042422151.db2.gz BSSKYGAIKWJBSP-GOSISDBHSA-N 1 1 322.456 4.165 20 30 DIEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614175842 1042422242 /nfs/dbraw/zinc/42/22/42/1042422242.db2.gz BAYUFDKXBWCWME-OAHLLOKOSA-N 1 1 304.503 4.451 20 30 DIEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)Cc1cccs1 ZINC000411128475 1042426959 /nfs/dbraw/zinc/42/69/59/1042426959.db2.gz AFNAQNKUOOIEIZ-UHFFFAOYSA-N 1 1 306.475 4.061 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235807 1042442696 /nfs/dbraw/zinc/44/26/96/1042442696.db2.gz IAGUITZUWWNYFB-QGZVFWFLSA-N 1 1 324.472 4.078 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411979415 1042464563 /nfs/dbraw/zinc/46/45/63/1042464563.db2.gz FGAZMUHIPZEVRB-SFHVURJKSA-N 1 1 300.446 4.250 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419329031 1042471353 /nfs/dbraw/zinc/47/13/53/1042471353.db2.gz GEOLRZVIZQELLX-IRXDYDNUSA-N 1 1 306.494 4.234 20 30 DIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614396679 1042490079 /nfs/dbraw/zinc/49/00/79/1042490079.db2.gz DSJHYJHBKMMLKN-HXUWFJFHSA-N 1 1 320.436 4.082 20 30 DIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614396678 1042490160 /nfs/dbraw/zinc/49/01/60/1042490160.db2.gz DSJHYJHBKMMLKN-FQEVSTJZSA-N 1 1 320.436 4.082 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000614397733 1042490299 /nfs/dbraw/zinc/49/02/99/1042490299.db2.gz ZAXHVQLGNUIYTJ-CYBMUJFWSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000614397733 1042490303 /nfs/dbraw/zinc/49/03/03/1042490303.db2.gz ZAXHVQLGNUIYTJ-CYBMUJFWSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000614397710 1042491068 /nfs/dbraw/zinc/49/10/68/1042491068.db2.gz UBNDOCFQXJKEJP-NRFANRHFSA-N 1 1 320.436 4.048 20 30 DIEDMO C[C@H](Nc1cc[nH+]c2ccc(Cl)cc12)c1ccc(C#N)cc1 ZINC000513644421 1042557548 /nfs/dbraw/zinc/55/75/48/1042557548.db2.gz BISACLHDLJPRMW-LBPRGKRZSA-N 1 1 307.784 4.355 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000513724348 1042608531 /nfs/dbraw/zinc/60/85/31/1042608531.db2.gz FHAIRFHAVXYUHM-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(Br)cc1 ZINC000513724348 1042608535 /nfs/dbraw/zinc/60/85/35/1042608535.db2.gz FHAIRFHAVXYUHM-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(C2CC2)c1 ZINC000421350663 1042631729 /nfs/dbraw/zinc/63/17/29/1042631729.db2.gz BAHQAPFKYAYTQK-UHFFFAOYSA-N 1 1 311.425 4.228 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000421339199 1042632485 /nfs/dbraw/zinc/63/24/85/1042632485.db2.gz GBRDUXYMDMOTFY-SFHVURJKSA-N 1 1 322.456 4.447 20 30 DIEDMO CC(C)c1ccc([C@@H]([NH3+])CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247981 1042703532 /nfs/dbraw/zinc/70/35/32/1042703532.db2.gz RAVFWYZYAKRRAX-YWZLYKJASA-N 1 1 307.441 4.032 20 30 DIEDMO N#CCCCOc1cccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424193851 1042729008 /nfs/dbraw/zinc/72/90/08/1042729008.db2.gz KYFCTAXGAVYJHG-UXHICEINSA-N 1 1 324.399 4.096 20 30 DIEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C3CCCCC3)cc2)nn1 ZINC000424300380 1042732313 /nfs/dbraw/zinc/73/23/13/1042732313.db2.gz XKHQHXLDXFXRSZ-INIZCTEOSA-N 1 1 324.472 4.363 20 30 DIEDMO CO[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000513969872 1042765836 /nfs/dbraw/zinc/76/58/36/1042765836.db2.gz FPNWROPYCINTQG-GOSISDBHSA-N 1 1 314.816 4.031 20 30 DIEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000514184309 1042771571 /nfs/dbraw/zinc/77/15/71/1042771571.db2.gz SNPXZZTWMAFLBY-HXUWFJFHSA-N 1 1 308.400 4.213 20 30 DIEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000514191275 1042774158 /nfs/dbraw/zinc/77/41/58/1042774158.db2.gz XKCZIATUFIYSSE-LJQANCHMSA-N 1 1 308.400 4.213 20 30 DIEDMO Cc1cc(S[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C#N)cn1 ZINC000425276164 1042786951 /nfs/dbraw/zinc/78/69/51/1042786951.db2.gz DBCXKACALUONLN-GOSISDBHSA-N 1 1 323.465 4.018 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000425368410 1042798680 /nfs/dbraw/zinc/79/86/80/1042798680.db2.gz WRDCUTAWKIZITR-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000425368410 1042798685 /nfs/dbraw/zinc/79/86/85/1042798685.db2.gz WRDCUTAWKIZITR-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)c1OC ZINC000425366206 1042798710 /nfs/dbraw/zinc/79/87/10/1042798710.db2.gz ORSVMMBIXZFZCY-HNNXBMFYSA-N 1 1 324.424 4.077 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000425368411 1042798908 /nfs/dbraw/zinc/79/89/08/1042798908.db2.gz WRDCUTAWKIZITR-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000425368411 1042798914 /nfs/dbraw/zinc/79/89/14/1042798914.db2.gz WRDCUTAWKIZITR-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO C=CC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](CC)CCCC ZINC001269960651 1042801695 /nfs/dbraw/zinc/80/16/95/1042801695.db2.gz QFKNZTXFPTUBKU-HCXYKTFWSA-N 1 1 320.521 4.090 20 30 DIEDMO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000514974451 1042803385 /nfs/dbraw/zinc/80/33/85/1042803385.db2.gz MAPUVPIQXKXCDE-INIZCTEOSA-N 1 1 317.477 4.047 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000515075781 1042807822 /nfs/dbraw/zinc/80/78/22/1042807822.db2.gz UCIRBGZEYWRXLN-HNNXBMFYSA-N 1 1 320.399 4.138 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000515075781 1042807824 /nfs/dbraw/zinc/80/78/24/1042807824.db2.gz UCIRBGZEYWRXLN-HNNXBMFYSA-N 1 1 320.399 4.138 20 30 DIEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000515511858 1042823520 /nfs/dbraw/zinc/82/35/20/1042823520.db2.gz XZKCSQLMKBDVDU-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCC1CCOCC1 ZINC000425533851 1042837303 /nfs/dbraw/zinc/83/73/03/1042837303.db2.gz LMFZZTNLNIYAIC-MRXNPFEDSA-N 1 1 300.446 4.148 20 30 DIEDMO Cc1nc2ccccc2nc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533924 1042837624 /nfs/dbraw/zinc/83/76/24/1042837624.db2.gz FQWMMHKIPWPRBP-HNNXBMFYSA-N 1 1 316.408 4.003 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCC(=O)c1ccccc1 ZINC000425539756 1042839110 /nfs/dbraw/zinc/83/91/10/1042839110.db2.gz UMNZWDQGGQOSAH-INIZCTEOSA-N 1 1 306.409 4.214 20 30 DIEDMO Cc1ccncc1CCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000517057179 1042864336 /nfs/dbraw/zinc/86/43/36/1042864336.db2.gz JVJWWICXWYCMCO-SFTDATJTSA-N 1 1 319.452 4.094 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000517667321 1042892264 /nfs/dbraw/zinc/89/22/64/1042892264.db2.gz AXBMUKSKZXLRIW-UHFFFAOYSA-N 1 1 317.436 4.172 20 30 DIEDMO CC(C)(C)c1csc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000519037645 1042930651 /nfs/dbraw/zinc/93/06/51/1042930651.db2.gz INNQIFSDDCXPGZ-OAHLLOKOSA-N 1 1 311.454 4.089 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000426553701 1042937349 /nfs/dbraw/zinc/93/73/49/1042937349.db2.gz DXWDFCPMOKWGDM-LJQANCHMSA-N 1 1 308.425 4.298 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CCC(OC)CC1 ZINC000894416826 1042955993 /nfs/dbraw/zinc/95/59/93/1042955993.db2.gz FZKKLBNIMOZAGD-UHFFFAOYSA-N 1 1 319.493 4.047 20 30 DIEDMO N#Cc1ccnc(C[N@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC001167984496 1042981388 /nfs/dbraw/zinc/98/13/88/1042981388.db2.gz SPMPRUIYICOCCX-UHFFFAOYSA-N 1 1 309.388 4.037 20 30 DIEDMO CCc1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141209538 1043018935 /nfs/dbraw/zinc/01/89/35/1043018935.db2.gz OEHDFMNXNYXMTQ-UHFFFAOYSA-N 1 1 303.409 4.005 20 30 DIEDMO CCc1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)cc1 ZINC000141209538 1043018941 /nfs/dbraw/zinc/01/89/41/1043018941.db2.gz OEHDFMNXNYXMTQ-UHFFFAOYSA-N 1 1 303.409 4.005 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322016 1043036493 /nfs/dbraw/zinc/03/64/93/1043036493.db2.gz FJZPLSVLAHGCIV-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000441322016 1043036495 /nfs/dbraw/zinc/03/64/95/1043036495.db2.gz FJZPLSVLAHGCIV-DJJJIMSYSA-N 1 1 312.363 4.420 20 30 DIEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000441389427 1043043074 /nfs/dbraw/zinc/04/30/74/1043043074.db2.gz VKTDGESMJHKISD-OXQOHEQNSA-N 1 1 320.436 4.225 20 30 DIEDMO CCCC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000350683348 1043094454 /nfs/dbraw/zinc/09/44/54/1043094454.db2.gz FEIDADDZWVUAHV-UHFFFAOYSA-N 1 1 323.440 4.002 20 30 DIEDMO C=CC[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccncc1 ZINC000865464871 1043101641 /nfs/dbraw/zinc/10/16/41/1043101641.db2.gz QJXHOIUKUABBCS-AWEZNQCLSA-N 1 1 301.459 4.243 20 30 DIEDMO C=C[C@@](C)(CC)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000188954194 1043132182 /nfs/dbraw/zinc/13/21/82/1043132182.db2.gz LGOMWIVDUZCMJM-IBGZPJMESA-N 1 1 300.446 4.199 20 30 DIEDMO CC[N@@H+](Cc1ccc2c[nH]nc2c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463295 1043146112 /nfs/dbraw/zinc/14/61/12/1043146112.db2.gz JYVPVHSFGUHWKN-AWEZNQCLSA-N 1 1 304.397 4.018 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)C ZINC000866267276 1043167747 /nfs/dbraw/zinc/16/77/47/1043167747.db2.gz AOETUPJICXJQFF-YOEHRIQHSA-N 1 1 309.413 4.015 20 30 DIEDMO C[C@@H]([NH2+]C1(c2ccc(Cl)cc2)CC1)c1cccc(C#N)c1O ZINC000866320886 1043179476 /nfs/dbraw/zinc/17/94/76/1043179476.db2.gz SSLAIRIJZFOKRD-GFCCVEGCSA-N 1 1 312.800 4.257 20 30 DIEDMO N#CCCC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1ccccc1 ZINC000866363461 1043189122 /nfs/dbraw/zinc/18/91/22/1043189122.db2.gz LPNDGOCGRJJDOJ-WSTZPKSXSA-N 1 1 324.399 4.483 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1ccc(Br)cn1)c1ccco1 ZINC000866569072 1043226387 /nfs/dbraw/zinc/22/63/87/1043226387.db2.gz KXBZQGADJLNXAP-CQSZACIVSA-N 1 1 321.218 4.234 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccc(Br)cn1)c1ccco1 ZINC000866569071 1043227138 /nfs/dbraw/zinc/22/71/38/1043227138.db2.gz KXBZQGADJLNXAP-AWEZNQCLSA-N 1 1 321.218 4.234 20 30 DIEDMO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000574766620 1043241702 /nfs/dbraw/zinc/24/17/02/1043241702.db2.gz UMVCBNVRVLENIE-FUEDEBDSSA-N 1 1 317.845 4.155 20 30 DIEDMO CC(=[NH+]OCCC(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000777460540 1043258205 /nfs/dbraw/zinc/25/82/05/1043258205.db2.gz QCIFHIKVJGEJLM-UHFFFAOYSA-N 1 1 314.351 4.370 20 30 DIEDMO CN(CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N)c1ccccc1 ZINC000487400159 1043284406 /nfs/dbraw/zinc/28/44/06/1043284406.db2.gz SPMPNWRQOLHRAO-UHFFFAOYSA-N 1 1 321.468 4.056 20 30 DIEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCSCC#N ZINC000266755692 1043302525 /nfs/dbraw/zinc/30/25/25/1043302525.db2.gz ROPPQAKTWQNFGF-GFCCVEGCSA-N 1 1 316.392 4.345 20 30 DIEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000266931744 1043303496 /nfs/dbraw/zinc/30/34/96/1043303496.db2.gz SWDKZQBAKVTIOV-KRWDZBQOSA-N 1 1 300.446 4.032 20 30 DIEDMO CC(C)(C#N)CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000266889405 1043304348 /nfs/dbraw/zinc/30/43/48/1043304348.db2.gz DCYKPGRASFXHCF-GOSISDBHSA-N 1 1 318.436 4.137 20 30 DIEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)c1ccc(C#N)cc1F ZINC000427885635 1043313288 /nfs/dbraw/zinc/31/32/88/1043313288.db2.gz MYGNYTXWSOSTKM-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)CCOCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000521196418 1043374649 /nfs/dbraw/zinc/37/46/49/1043374649.db2.gz FWZKOSYADPQFRP-UHFFFAOYSA-N 1 1 302.462 4.079 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000123650405 1043378092 /nfs/dbraw/zinc/37/80/92/1043378092.db2.gz NWSBZCNOUUVJEJ-OXQOHEQNSA-N 1 1 306.409 4.315 20 30 DIEDMO N#CC1CC[NH+](Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000123744760 1043388251 /nfs/dbraw/zinc/38/82/51/1043388251.db2.gz FRRMDMKYXNVBAP-UHFFFAOYSA-N 1 1 300.349 4.034 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000442777802 1043416716 /nfs/dbraw/zinc/41/67/16/1043416716.db2.gz JCBDYBGSLZIEBC-QBIMZIAESA-N 1 1 311.816 4.106 20 30 DIEDMO CC[N@H+](CCC(C)(C)C#N)Cc1ccccc1Br ZINC000557966134 1043417328 /nfs/dbraw/zinc/41/73/28/1043417328.db2.gz KMNZMJPYIMOBKX-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1Br ZINC000557966134 1043417335 /nfs/dbraw/zinc/41/73/35/1043417335.db2.gz KMNZMJPYIMOBKX-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C=C(C)COCC[NH2+][C@H](c1cc2ccccc2o1)c1ccccn1 ZINC000925531539 1043426512 /nfs/dbraw/zinc/42/65/12/1043426512.db2.gz LJTCNLNVAHDFOI-FQEVSTJZSA-N 1 1 322.408 4.100 20 30 DIEDMO COc1cc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000442800408 1043426854 /nfs/dbraw/zinc/42/68/54/1043426854.db2.gz JVLHVUVJAHEXQM-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000442800408 1043426859 /nfs/dbraw/zinc/42/68/59/1043426859.db2.gz JVLHVUVJAHEXQM-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC000442808835 1043428909 /nfs/dbraw/zinc/42/89/09/1043428909.db2.gz IRZVSKUIKOLIQD-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cccc2c1OCO2 ZINC000925601402 1043436279 /nfs/dbraw/zinc/43/62/79/1043436279.db2.gz LBSGSJRYFOIAIV-PBHICJAKSA-N 1 1 308.381 4.111 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cccc2c1OCO2 ZINC000925601409 1043436667 /nfs/dbraw/zinc/43/66/67/1043436667.db2.gz LBSGSJRYFOIAIV-WMLDXEAASA-N 1 1 308.381 4.111 20 30 DIEDMO CC(C)c1[nH+]ccn1Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442863501 1043439405 /nfs/dbraw/zinc/43/94/05/1043439405.db2.gz RJRKALOUUATPQG-YJBOKZPZSA-N 1 1 308.429 4.159 20 30 DIEDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)ccc1C#N ZINC000442883369 1043447904 /nfs/dbraw/zinc/44/79/04/1043447904.db2.gz VAUPOSUBAMYBGQ-PBHICJAKSA-N 1 1 310.397 4.133 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000442889687 1043450618 /nfs/dbraw/zinc/45/06/18/1043450618.db2.gz FVFWWEKTVWSBHW-IIBYNOLFSA-N 1 1 318.420 4.141 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000442900939 1043454558 /nfs/dbraw/zinc/45/45/58/1043454558.db2.gz SPWGVUQVRPDLLD-FUHWJXTLSA-N 1 1 306.409 4.020 20 30 DIEDMO C=CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)Cc1cccc(C#N)c1 ZINC000521714820 1043459629 /nfs/dbraw/zinc/45/96/29/1043459629.db2.gz BXBXLGCTEBXKHW-YLJYHZDGSA-N 1 1 312.457 4.142 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000348935952 1043483602 /nfs/dbraw/zinc/48/36/02/1043483602.db2.gz RFNLSSOPCUPHRJ-FQEVSTJZSA-N 1 1 321.424 4.101 20 30 DIEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](c2ccccc2C)C(C)C)no1 ZINC000872180687 1043485232 /nfs/dbraw/zinc/48/52/32/1043485232.db2.gz ABLZDKRHRZDQSC-GJZGRUSLSA-N 1 1 319.836 4.308 20 30 DIEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(O[C@H](C)CC)cc2)no1 ZINC000872174117 1043485553 /nfs/dbraw/zinc/48/55/53/1043485553.db2.gz DQHOPWLPNUKCNU-BXUZGUMPSA-N 1 1 321.808 4.056 20 30 DIEDMO C=C(C)C[N@@H+](C/C(C)=C\c1ccccc1)Cc1ccc(CO)o1 ZINC000558409279 1043504249 /nfs/dbraw/zinc/50/42/49/1043504249.db2.gz QUEPQMKEAVRNFO-BOPFTXTBSA-N 1 1 311.425 4.254 20 30 DIEDMO C[N@@H+](Cc1cccc(Br)c1)CC(C)(C)CCC#N ZINC000349676117 1043517339 /nfs/dbraw/zinc/51/73/39/1043517339.db2.gz CNCVUGXGSTWUNE-UHFFFAOYSA-N 1 1 309.251 4.211 20 30 DIEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707772 1043518944 /nfs/dbraw/zinc/51/89/44/1043518944.db2.gz QAQSPYWOWVWQGQ-AEFFLSMTSA-N 1 1 300.446 4.380 20 30 DIEDMO CCC(CC)([NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000558485912 1043519688 /nfs/dbraw/zinc/51/96/88/1043519688.db2.gz MCAZKFNABOWYPT-UHFFFAOYSA-N 1 1 319.861 4.473 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000522069972 1043530796 /nfs/dbraw/zinc/53/07/96/1043530796.db2.gz XRYRSMFOBXWXGC-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001275119449 1043577494 /nfs/dbraw/zinc/57/74/94/1043577494.db2.gz SLOPBWCDLICALT-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO N#Cc1ccc(CNc2cc(C3CC3)cc[nH+]2)c(C(F)(F)F)c1 ZINC000353159529 1043588217 /nfs/dbraw/zinc/58/82/17/1043588217.db2.gz ZABQRFGIHCIDIG-UHFFFAOYSA-N 1 1 317.314 4.462 20 30 DIEDMO COc1ccc([C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c2ccco2)cc1 ZINC000926549985 1043599298 /nfs/dbraw/zinc/59/92/98/1043599298.db2.gz IEEFFYQZHNWZCL-KBXCAEBGSA-N 1 1 312.413 4.296 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000926570487 1043600662 /nfs/dbraw/zinc/60/06/62/1043600662.db2.gz WGEIRKYSPYOGMI-QGZVFWFLSA-N 1 1 313.832 4.354 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ncc(C(F)(F)F)cc1Cl ZINC000926569644 1043600750 /nfs/dbraw/zinc/60/07/50/1043600750.db2.gz RSAYCLBRRGYJSU-SECBINFHSA-N 1 1 319.758 4.344 20 30 DIEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000353414333 1043606096 /nfs/dbraw/zinc/60/60/96/1043606096.db2.gz AOILCELMQUOJAK-UHFFFAOYSA-N 1 1 310.445 4.147 20 30 DIEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](CCC#N)CCC(C)C)c1 ZINC000353414333 1043606103 /nfs/dbraw/zinc/60/61/03/1043606103.db2.gz AOILCELMQUOJAK-UHFFFAOYSA-N 1 1 310.445 4.147 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cc3ccccc3o2)c2ccccn2)C1 ZINC000926617080 1043607945 /nfs/dbraw/zinc/60/79/45/1043607945.db2.gz WLGCKQVGQHJFBS-IIMJZQEZSA-N 1 1 317.392 4.199 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccsc1C ZINC000353467328 1043609025 /nfs/dbraw/zinc/60/90/25/1043609025.db2.gz BEBQKSNRIBDRPY-UHFFFAOYSA-N 1 1 303.475 4.412 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccsc1C ZINC000353467328 1043609033 /nfs/dbraw/zinc/60/90/33/1043609033.db2.gz BEBQKSNRIBDRPY-UHFFFAOYSA-N 1 1 303.475 4.412 20 30 DIEDMO C[C@@H]1CCCCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000353513044 1043611699 /nfs/dbraw/zinc/61/16/99/1043611699.db2.gz VVGSOJSFZVHSSG-QGZVFWFLSA-N 1 1 322.456 4.228 20 30 DIEDMO CC(C)(C)[N@@H+](CCCC#N)Cc1ccccc1Br ZINC000353489193 1043611760 /nfs/dbraw/zinc/61/17/60/1043611760.db2.gz OOXMXQMXMAKVTG-UHFFFAOYSA-N 1 1 309.251 4.353 20 30 DIEDMO CO[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000558853032 1043618861 /nfs/dbraw/zinc/61/88/61/1043618861.db2.gz OWNHBPBETGHZEH-NRFANRHFSA-N 1 1 318.420 4.035 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558864563 1043620343 /nfs/dbraw/zinc/62/03/43/1043620343.db2.gz WVGFJXOJBGMIQS-LIRRHRJNSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558864563 1043620353 /nfs/dbraw/zinc/62/03/53/1043620353.db2.gz WVGFJXOJBGMIQS-LIRRHRJNSA-N 1 1 312.363 4.329 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccncc1OCC(F)F)c1ccco1 ZINC000353590108 1043620305 /nfs/dbraw/zinc/62/03/05/1043620305.db2.gz SOJNHAQPUUZFLL-AWEZNQCLSA-N 1 1 322.355 4.116 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cccn1 ZINC001137099202 1043655474 /nfs/dbraw/zinc/65/54/74/1043655474.db2.gz CFKDNBBODGOVJM-UHFFFAOYSA-N 1 1 317.436 4.451 20 30 DIEDMO CCC[N@@H+](CCCc1ccc(C)nc1)Cc1ccc(C#N)cc1 ZINC000474150174 1043664818 /nfs/dbraw/zinc/66/48/18/1043664818.db2.gz MYGFSEAOMHWEAC-UHFFFAOYSA-N 1 1 307.441 4.107 20 30 DIEDMO N#CCC[C@H](C#N)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288176 1043685407 /nfs/dbraw/zinc/68/54/07/1043685407.db2.gz SASNIMYYWOTLSW-UTKZUKDTSA-N 1 1 315.420 4.078 20 30 DIEDMO N#CCC[C@H](C#N)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288176 1043685415 /nfs/dbraw/zinc/68/54/15/1043685415.db2.gz SASNIMYYWOTLSW-UTKZUKDTSA-N 1 1 315.420 4.078 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(CC(C)C)C2=O)CC1 ZINC001275328902 1043700255 /nfs/dbraw/zinc/70/02/55/1043700255.db2.gz GJETULRWAXNHLM-FQEVSTJZSA-N 1 1 320.521 4.093 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(CC(=C)C)C2=O)CC1 ZINC001275329331 1043700679 /nfs/dbraw/zinc/70/06/79/1043700679.db2.gz SKTKBGVNTSRFGR-FQEVSTJZSA-N 1 1 318.505 4.014 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(CC(C)C)C2=O)CC1 ZINC001275328903 1043701087 /nfs/dbraw/zinc/70/10/87/1043701087.db2.gz GJETULRWAXNHLM-HXUWFJFHSA-N 1 1 320.521 4.093 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1 ZINC000559130438 1043702065 /nfs/dbraw/zinc/70/20/65/1043702065.db2.gz RUWHMSKHALNUNF-ILXRZTDVSA-N 1 1 311.454 4.168 20 30 DIEDMO C#CCCCCCC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000876794964 1043710397 /nfs/dbraw/zinc/71/03/97/1043710397.db2.gz HZHZTLXPSOIRER-HRAATJIYSA-N 1 1 305.487 4.001 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1cc2nc(Cl)ccc2s1)C1CC1 ZINC000876792481 1043711197 /nfs/dbraw/zinc/71/11/97/1043711197.db2.gz WHWPVNAOOQPWGI-JTQLQIEISA-N 1 1 305.834 4.074 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2nc(Cl)ccc2s1)C1CC1 ZINC000876792481 1043711209 /nfs/dbraw/zinc/71/12/09/1043711209.db2.gz WHWPVNAOOQPWGI-JTQLQIEISA-N 1 1 305.834 4.074 20 30 DIEDMO Cc1ccc(CCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000474278134 1043724645 /nfs/dbraw/zinc/72/46/45/1043724645.db2.gz VQOLCRSSJCZIIN-SFTDATJTSA-N 1 1 319.452 4.094 20 30 DIEDMO C[C@@H](CC[N@@H+](CCC#N)CC(C)(C)C)OCc1ccccc1 ZINC000354917511 1043728465 /nfs/dbraw/zinc/72/84/65/1043728465.db2.gz MMNWYQZADBWUGD-KRWDZBQOSA-N 1 1 302.462 4.244 20 30 DIEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000355273264 1043755967 /nfs/dbraw/zinc/75/59/67/1043755967.db2.gz XFNAUSAFPUELGZ-SFHVURJKSA-N 1 1 322.452 4.319 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000355273264 1043755978 /nfs/dbraw/zinc/75/59/78/1043755978.db2.gz XFNAUSAFPUELGZ-SFHVURJKSA-N 1 1 322.452 4.319 20 30 DIEDMO CC(F)(F)c1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877550486 1043775512 /nfs/dbraw/zinc/77/55/12/1043775512.db2.gz XYPMSQJCGBKRIM-UHFFFAOYSA-N 1 1 321.758 4.008 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccccc1F ZINC000877625023 1043781389 /nfs/dbraw/zinc/78/13/89/1043781389.db2.gz GOCYVLAEMFRBAB-MRXNPFEDSA-N 1 1 317.795 4.233 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877622429 1043782209 /nfs/dbraw/zinc/78/22/09/1043782209.db2.gz NIFLMTNBHYJVCU-LLVKDONJSA-N 1 1 305.834 4.075 20 30 DIEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000126634078 1043783976 /nfs/dbraw/zinc/78/39/76/1043783976.db2.gz LYTRTVZSBNWQNL-GFCCVEGCSA-N 1 1 322.861 4.434 20 30 DIEDMO C[N@H+](Cc1cscc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000356050521 1043803881 /nfs/dbraw/zinc/80/38/81/1043803881.db2.gz FGJMDHVHGHTADO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO C[N@@H+](Cc1cscc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000356050521 1043803907 /nfs/dbraw/zinc/80/39/07/1043803907.db2.gz FGJMDHVHGHTADO-UHFFFAOYSA-N 1 1 310.344 4.271 20 30 DIEDMO COCC[N@@H+](CC1CCC(C#N)CC1)[C@@H](C)c1ccccc1 ZINC000929391220 1043812757 /nfs/dbraw/zinc/81/27/57/1043812757.db2.gz DLXDMVVBMQMNTN-AOCRQIFASA-N 1 1 300.446 4.026 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133445 1043814801 /nfs/dbraw/zinc/81/48/01/1043814801.db2.gz XOWBZEASWMOGEM-CQSZACIVSA-N 1 1 311.454 4.378 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1nc(C#N)cs1)CC1CCC1 ZINC000356133445 1043814823 /nfs/dbraw/zinc/81/48/23/1043814823.db2.gz XOWBZEASWMOGEM-CQSZACIVSA-N 1 1 311.454 4.378 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356291028 1043829499 /nfs/dbraw/zinc/82/94/99/1043829499.db2.gz ZUXXYFGLAFEFJE-IBGZPJMESA-N 1 1 310.441 4.134 20 30 DIEDMO N#CC1CCC(C[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000929656713 1043831540 /nfs/dbraw/zinc/83/15/40/1043831540.db2.gz QJVFKVCRHLTLIK-HTWSVDAQSA-N 1 1 300.471 4.106 20 30 DIEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C1CC1)C1CCCCC1)c1ccccc1 ZINC000877965383 1043834418 /nfs/dbraw/zinc/83/44/18/1043834418.db2.gz VNHZLNYSYNSWFR-NRFANRHFSA-N 1 1 324.468 4.224 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000929709751 1043836763 /nfs/dbraw/zinc/83/67/63/1043836763.db2.gz VBVRPBKBXHQPHE-LJQANCHMSA-N 1 1 312.457 4.233 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929757573 1043839675 /nfs/dbraw/zinc/83/96/75/1043839675.db2.gz TVMNJVBKGILUCD-TZJYRCSTSA-N 1 1 307.441 4.088 20 30 DIEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356414696 1043840476 /nfs/dbraw/zinc/84/04/76/1043840476.db2.gz OBYZMHYPYVHWMG-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO CC[C@@H]1CCCCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878123534 1043851115 /nfs/dbraw/zinc/85/11/15/1043851115.db2.gz BBWJJMSGEBIWKF-WOJBJXKFSA-N 1 1 312.457 4.082 20 30 DIEDMO C=CCOc1cccc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000116373859 1043866034 /nfs/dbraw/zinc/86/60/34/1043866034.db2.gz UVMOFUOSYPWDQI-UHFFFAOYSA-N 1 1 314.454 4.267 20 30 DIEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930126200 1043883007 /nfs/dbraw/zinc/88/30/07/1043883007.db2.gz MAXZGWLRLXLZNT-MRXNPFEDSA-N 1 1 300.450 4.028 20 30 DIEDMO C#CCCCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000878427701 1043893718 /nfs/dbraw/zinc/89/37/18/1043893718.db2.gz NQYMWYGCUBGPIQ-RBUKOAKNSA-N 1 1 303.421 4.171 20 30 DIEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC[C@@H]1C1CCC1)c1ccccc1 ZINC000878771568 1043918186 /nfs/dbraw/zinc/91/81/86/1043918186.db2.gz OYPJGCSWIWRNEV-NHCUHLMSSA-N 1 1 324.468 4.082 20 30 DIEDMO CC(C)([NH2+]Cc1noc2c1CC(C)(C)CC2)c1cccc(C#N)c1 ZINC000878888676 1043926671 /nfs/dbraw/zinc/92/66/71/1043926671.db2.gz SDYBHXBAGBDWDY-UHFFFAOYSA-N 1 1 323.440 4.086 20 30 DIEDMO N#Cc1ccc(Br)cc1C[N@@H+]1CCC12CCCCC2 ZINC001141897281 1043931355 /nfs/dbraw/zinc/93/13/55/1043931355.db2.gz MFIBTIUGSYSMCX-UHFFFAOYSA-N 1 1 319.246 4.229 20 30 DIEDMO N#Cc1ccc(Br)cc1C[N@H+]1CCC12CCCCC2 ZINC001141897281 1043931362 /nfs/dbraw/zinc/93/13/62/1043931362.db2.gz MFIBTIUGSYSMCX-UHFFFAOYSA-N 1 1 319.246 4.229 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878992267 1043934003 /nfs/dbraw/zinc/93/40/03/1043934003.db2.gz WSFUORIOPHSPRU-SOUVJXGZSA-N 1 1 318.848 4.158 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878992267 1043934011 /nfs/dbraw/zinc/93/40/11/1043934011.db2.gz WSFUORIOPHSPRU-SOUVJXGZSA-N 1 1 318.848 4.158 20 30 DIEDMO N#Cc1cncc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000930686329 1043953606 /nfs/dbraw/zinc/95/36/06/1043953606.db2.gz FVQWAOUHZQGPDK-LJQANCHMSA-N 1 1 303.409 4.071 20 30 DIEDMO N#Cc1cncc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000930686329 1043953608 /nfs/dbraw/zinc/95/36/08/1043953608.db2.gz FVQWAOUHZQGPDK-LJQANCHMSA-N 1 1 303.409 4.071 20 30 DIEDMO N#Cc1ccc(Br)cc1C[NH+]1CCCCCCC1 ZINC001141903058 1043957415 /nfs/dbraw/zinc/95/74/15/1043957415.db2.gz OQPLNLHJQHJFRI-UHFFFAOYSA-N 1 1 307.235 4.087 20 30 DIEDMO C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433940 1043965773 /nfs/dbraw/zinc/96/57/73/1043965773.db2.gz KUAMCCHPVBCOOD-AWEZNQCLSA-N 1 1 311.429 4.079 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561796429 1044007663 /nfs/dbraw/zinc/00/76/63/1044007663.db2.gz BQCPQUVYGQQYFY-OKILXGFUSA-N 1 1 314.326 4.250 20 30 DIEDMO CCC1([NH+]2CCCCC2)CCN(CCCCC(C)(C)C#N)CC1 ZINC000880255510 1044024706 /nfs/dbraw/zinc/02/47/06/1044024706.db2.gz NBYSTHUOPSFFLL-UHFFFAOYSA-N 1 1 319.537 4.437 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C)n1CCC)c1ccccc1 ZINC000880390859 1044036390 /nfs/dbraw/zinc/03/63/90/1044036390.db2.gz WPLIUFFBVSEZRQ-SFHVURJKSA-N 1 1 312.461 4.184 20 30 DIEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C(C)(C)C)nn1)c1ccccc1 ZINC000880390991 1044038612 /nfs/dbraw/zinc/03/86/12/1044038612.db2.gz ZVKSFJKLZJNXAJ-GOSISDBHSA-N 1 1 312.461 4.220 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880576895 1044048699 /nfs/dbraw/zinc/04/86/99/1044048699.db2.gz FNFDTJZHNRZEJC-SFHVURJKSA-N 1 1 306.494 4.235 20 30 DIEDMO COCC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)c1ccc(C)o1 ZINC000358457467 1044072693 /nfs/dbraw/zinc/07/26/93/1044072693.db2.gz ZBSGQOIPMYQQDM-DYVFJYSZSA-N 1 1 316.376 4.027 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931797262 1044073778 /nfs/dbraw/zinc/07/37/78/1044073778.db2.gz ULPORMJEXBGENY-LJQANCHMSA-N 1 1 322.456 4.077 20 30 DIEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cc(F)ccc1F ZINC000341995620 1044076479 /nfs/dbraw/zinc/07/64/79/1044076479.db2.gz PQCLXRHSKUZLTD-INIZCTEOSA-N 1 1 304.315 4.216 20 30 DIEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1c(C)noc1C ZINC000358597749 1044086354 /nfs/dbraw/zinc/08/63/54/1044086354.db2.gz XGCAXZWLCGCBOR-QFYYESIMSA-N 1 1 301.365 4.104 20 30 DIEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](Cc3nccs3)C2)CCC1 ZINC000932194140 1044107538 /nfs/dbraw/zinc/10/75/38/1044107538.db2.gz MKXYKPBIRVJUHR-INIZCTEOSA-N 1 1 317.502 4.262 20 30 DIEDMO COCC[N@@H+](CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000346778400 1044141254 /nfs/dbraw/zinc/14/12/54/1044141254.db2.gz INCRNXMWNZNUBW-ZDUSSCGKSA-N 1 1 314.351 4.019 20 30 DIEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000359295141 1044152355 /nfs/dbraw/zinc/15/23/55/1044152355.db2.gz OIOHBLHMDXRJLI-XLIONFOSSA-N 1 1 312.457 4.381 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)CC1CCCCC1 ZINC000444087303 1044187691 /nfs/dbraw/zinc/18/76/91/1044187691.db2.gz ZKFUMYIQGFHFAB-UHFFFAOYSA-N 1 1 314.473 4.392 20 30 DIEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166901 1044205107 /nfs/dbraw/zinc/20/51/07/1044205107.db2.gz MGADUJGCTQPXIF-SCLBCKFNSA-N 1 1 311.816 4.190 20 30 DIEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000347166901 1044205117 /nfs/dbraw/zinc/20/51/17/1044205117.db2.gz MGADUJGCTQPXIF-SCLBCKFNSA-N 1 1 311.816 4.190 20 30 DIEDMO C=CCC1(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CCC1 ZINC000359943548 1044218726 /nfs/dbraw/zinc/21/87/26/1044218726.db2.gz QFPHJUCFOMKMNF-UHFFFAOYSA-N 1 1 312.457 4.008 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(Br)c1 ZINC000778221242 1044223491 /nfs/dbraw/zinc/22/34/91/1044223491.db2.gz QRFYCRSBAQSLEL-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](CCC#N)CCC(C)C)cc2)n1 ZINC000444232714 1044243635 /nfs/dbraw/zinc/24/36/35/1044243635.db2.gz RWFGXDNLGDCPED-UHFFFAOYSA-N 1 1 324.472 4.251 20 30 DIEDMO Cc1cc(C)n(-c2ccc(C[N@H+](CCC#N)CCC(C)C)cc2)n1 ZINC000444232714 1044243649 /nfs/dbraw/zinc/24/36/49/1044243649.db2.gz RWFGXDNLGDCPED-UHFFFAOYSA-N 1 1 324.472 4.251 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000186174029 1044300884 /nfs/dbraw/zinc/30/08/84/1044300884.db2.gz SGFZXSILLKLPCA-MRXNPFEDSA-N 1 1 303.409 4.321 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000523009248 1044307781 /nfs/dbraw/zinc/30/77/81/1044307781.db2.gz TYBVQGYXIIUNQE-SFHVURJKSA-N 1 1 310.397 4.147 20 30 DIEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cc1C)CCC2 ZINC000186293110 1044341025 /nfs/dbraw/zinc/34/10/25/1044341025.db2.gz XWMQSWSKSAIQRW-QGZVFWFLSA-N 1 1 311.454 4.141 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000935623679 1044352957 /nfs/dbraw/zinc/35/29/57/1044352957.db2.gz GEUDWVDSDICFJF-LJQANCHMSA-N 1 1 316.489 4.128 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000361221353 1044374721 /nfs/dbraw/zinc/37/47/21/1044374721.db2.gz RQDMVSIHJOQQLU-QGZVFWFLSA-N 1 1 322.880 4.040 20 30 DIEDMO C=CC[NH+]1CCC(N[C@@H](CC)c2cc(Cl)ccc2OC)CC1 ZINC000361221352 1044375120 /nfs/dbraw/zinc/37/51/20/1044375120.db2.gz RQDMVSIHJOQQLU-KRWDZBQOSA-N 1 1 322.880 4.040 20 30 DIEDMO N#Cc1csc(C[NH2+]C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000564407688 1044376358 /nfs/dbraw/zinc/37/63/58/1044376358.db2.gz KTSJJIITNAIRPJ-UHFFFAOYSA-N 1 1 317.845 4.227 20 30 DIEDMO Cc1ccc(-c2cccc(C[NH2+]C[C@H](C#N)CCC#N)c2)cc1 ZINC000564508247 1044386741 /nfs/dbraw/zinc/38/67/41/1044386741.db2.gz BEXQPWVWCNYORJ-SFHVURJKSA-N 1 1 303.409 4.195 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000186376340 1044404125 /nfs/dbraw/zinc/40/41/25/1044404125.db2.gz OWRNEAVYOGDWJC-KRWDZBQOSA-N 1 1 319.452 4.351 20 30 DIEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000565665651 1044448888 /nfs/dbraw/zinc/44/88/88/1044448888.db2.gz MPGXDDZXHWZIMA-CRAIPNDOSA-N 1 1 321.424 4.282 20 30 DIEDMO CC(C)(CC#N)CS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000565844949 1044459460 /nfs/dbraw/zinc/45/94/60/1044459460.db2.gz GDLKILBIESAPNF-KRWDZBQOSA-N 1 1 302.487 4.324 20 30 DIEDMO CC(=O)c1cccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000294779489 1044459823 /nfs/dbraw/zinc/45/98/23/1044459823.db2.gz AKYGTUSGOKPSFJ-UHFFFAOYSA-N 1 1 306.409 4.171 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc(C)c1O ZINC000565860205 1044460891 /nfs/dbraw/zinc/46/08/91/1044460891.db2.gz LYLCWVGZXHUIIO-PMACEKPBSA-N 1 1 320.436 4.281 20 30 DIEDMO CC#CCC[N@H+]1CCc2nc(-c3ccccc3Cl)sc2C1 ZINC000566642379 1044504052 /nfs/dbraw/zinc/50/40/52/1044504052.db2.gz FMNGDVSHJDLCKP-UHFFFAOYSA-N 1 1 316.857 4.235 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(Cl)c1 ZINC000566646443 1044505607 /nfs/dbraw/zinc/50/56/07/1044505607.db2.gz MCHJCXVZRBEXSR-UHFFFAOYSA-N 1 1 319.832 4.312 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)c(Cl)c1 ZINC000566646443 1044505621 /nfs/dbraw/zinc/50/56/21/1044505621.db2.gz MCHJCXVZRBEXSR-UHFFFAOYSA-N 1 1 319.832 4.312 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000186608726 1044511143 /nfs/dbraw/zinc/51/11/43/1044511143.db2.gz RKDWOXKMDMYYBP-OAHLLOKOSA-N 1 1 304.393 4.114 20 30 DIEDMO Cc1cc2ccc(Cl)cc2nc1N=NC1CCC[N@H+](C)CC1 ZINC000778551965 1044514319 /nfs/dbraw/zinc/51/43/19/1044514319.db2.gz OVWZBUGMPPDANM-UHFFFAOYSA-N 1 1 316.836 4.080 20 30 DIEDMO CSc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000348330731 1044546509 /nfs/dbraw/zinc/54/65/09/1044546509.db2.gz PIHVTYILUVHESP-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000348330731 1044546521 /nfs/dbraw/zinc/54/65/21/1044546521.db2.gz PIHVTYILUVHESP-UHFFFAOYSA-N 1 1 300.402 4.051 20 30 DIEDMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1Cl ZINC000116380137 1044560210 /nfs/dbraw/zinc/56/02/10/1044560210.db2.gz YWTAYPSFTFZEEK-UHFFFAOYSA-N 1 1 322.861 4.386 20 30 DIEDMO C=CC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(OC)cc1 ZINC000444595109 1044572261 /nfs/dbraw/zinc/57/22/61/1044572261.db2.gz KZZPTZJRDWLQBA-UHFFFAOYSA-N 1 1 300.446 4.403 20 30 DIEDMO CCS[C@H](C)c1noc(C[N@H+](C)CCCCC(C)(C)C#N)n1 ZINC000444647270 1044584253 /nfs/dbraw/zinc/58/42/53/1044584253.db2.gz KSOXXQHDZAPVED-CYBMUJFWSA-N 1 1 324.494 4.036 20 30 DIEDMO CCS[C@H](C)c1noc(C[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000444647270 1044584266 /nfs/dbraw/zinc/58/42/66/1044584266.db2.gz KSOXXQHDZAPVED-CYBMUJFWSA-N 1 1 324.494 4.036 20 30 DIEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000296057913 1044586080 /nfs/dbraw/zinc/58/60/80/1044586080.db2.gz BGKLUBZFMSKBRW-IBGZPJMESA-N 1 1 324.428 4.009 20 30 DIEDMO CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000444641039 1044588899 /nfs/dbraw/zinc/58/88/99/1044588899.db2.gz ONRSITZOLATMFZ-GVDBMIGSSA-N 1 1 306.494 4.232 20 30 DIEDMO CC(C)(C#N)CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000444658420 1044589186 /nfs/dbraw/zinc/58/91/86/1044589186.db2.gz FYMFULPPDDWYRR-UHFFFAOYSA-N 1 1 315.417 4.279 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2nc(C3CCCC3)no2)CCCC1(C)C ZINC000444781254 1044620460 /nfs/dbraw/zinc/62/04/60/1044620460.db2.gz HCYKRKIFKIYNKK-HNNXBMFYSA-N 1 1 303.450 4.294 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2noc(-c3ccsc3)n2)CCCC1(C)C ZINC000444777882 1044628320 /nfs/dbraw/zinc/62/83/20/1044628320.db2.gz HHEOGYQVORTUKK-AWEZNQCLSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2noc(-c3ccsc3)n2)CCCC1(C)C ZINC000444777882 1044628327 /nfs/dbraw/zinc/62/83/27/1044628327.db2.gz HHEOGYQVORTUKK-AWEZNQCLSA-N 1 1 317.458 4.365 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2csc([C@@H](C)OC)n2)CCCC1(C)C ZINC000444786991 1044630599 /nfs/dbraw/zinc/63/05/99/1044630599.db2.gz PPBCWQVAOPRVHM-HIFRSBDPSA-N 1 1 308.491 4.417 20 30 DIEDMO N#CCCC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000568505852 1044631286 /nfs/dbraw/zinc/63/12/86/1044631286.db2.gz FHBMJCVQPDZDHD-UHFFFAOYSA-N 1 1 317.483 4.387 20 30 DIEDMO Cc1cccc(C([NH2+]C[C@@H](C#N)CCC#N)c2cccc(C)c2)c1 ZINC000568750989 1044645732 /nfs/dbraw/zinc/64/57/32/1044645732.db2.gz SUCGFABYPONPOP-GOSISDBHSA-N 1 1 317.436 4.426 20 30 DIEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H](C)CC(C)(C)C ZINC001275889381 1044661538 /nfs/dbraw/zinc/66/15/38/1044661538.db2.gz OQDYMXGGIJSJNW-RCCFBDPRSA-N 1 1 320.521 4.090 20 30 DIEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000075717315 1044691547 /nfs/dbraw/zinc/69/15/47/1044691547.db2.gz ZMXUGMOQZABCNH-KBPBESRZSA-N 1 1 324.428 4.007 20 30 DIEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076145464 1044691655 /nfs/dbraw/zinc/69/16/55/1044691655.db2.gz SDIVSAYDYMRVCG-IBGZPJMESA-N 1 1 324.428 4.010 20 30 DIEDMO N#CCCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123809410 1044787689 /nfs/dbraw/zinc/78/76/89/1044787689.db2.gz XLLKYOSHUWKFMW-MOPGFXCFSA-N 1 1 300.446 4.049 20 30 DIEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC12CCCCC2 ZINC000369198876 1044800391 /nfs/dbraw/zinc/80/03/91/1044800391.db2.gz QOVLFDQJOVOUDN-SFHVURJKSA-N 1 1 318.505 4.379 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC12CCCCC2 ZINC000369198875 1044801551 /nfs/dbraw/zinc/80/15/51/1044801551.db2.gz QOVLFDQJOVOUDN-GOSISDBHSA-N 1 1 318.505 4.379 20 30 DIEDMO CC[N@H+](CCC#N)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000127599644 1044826948 /nfs/dbraw/zinc/82/69/48/1044826948.db2.gz BBOGIXUYXAIPAC-UHFFFAOYSA-N 1 1 323.440 4.013 20 30 DIEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000127599644 1044826971 /nfs/dbraw/zinc/82/69/71/1044826971.db2.gz BBOGIXUYXAIPAC-UHFFFAOYSA-N 1 1 323.440 4.013 20 30 DIEDMO C=CCOc1cccc(C[NH2+]C2(c3nc(C)cs3)CCC2)c1 ZINC000263904513 1044835218 /nfs/dbraw/zinc/83/52/18/1044835218.db2.gz YSAQRZDMRVNAIC-UHFFFAOYSA-N 1 1 314.454 4.185 20 30 DIEDMO CC1CCC([N@@H+](CCCC2(C#N)CCOCC2)C2CC2)CC1 ZINC000337139371 1044867193 /nfs/dbraw/zinc/86/71/93/1044867193.db2.gz PYGYZBOPCNGYMO-UHFFFAOYSA-N 1 1 304.478 4.130 20 30 DIEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1ccc(C#N)cc1F ZINC000011095775 1044876729 /nfs/dbraw/zinc/87/67/29/1044876729.db2.gz RUILJOPSPKMHNT-UHFFFAOYSA-N 1 1 309.388 4.218 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264585664 1044899141 /nfs/dbraw/zinc/89/91/41/1044899141.db2.gz XBHJOYBQHZNWIA-CYBMUJFWSA-N 1 1 316.351 4.060 20 30 DIEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264585664 1044899158 /nfs/dbraw/zinc/89/91/58/1044899158.db2.gz XBHJOYBQHZNWIA-CYBMUJFWSA-N 1 1 316.351 4.060 20 30 DIEDMO CC1CCC([N@H+](Cc2cccc(C#N)c2)C[C@H]2CCCO2)CC1 ZINC000524757099 1044918147 /nfs/dbraw/zinc/91/81/47/1044918147.db2.gz CNPKKLJSPDRIMP-RRWXTXHCSA-N 1 1 312.457 4.118 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000573695369 1044918319 /nfs/dbraw/zinc/91/83/19/1044918319.db2.gz LWGKDNHTVGXKSN-PMACEKPBSA-N 1 1 305.425 4.111 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000573750797 1044919573 /nfs/dbraw/zinc/91/95/73/1044919573.db2.gz VVVCVPNXXPGKOI-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO C=CCCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000574485689 1044954323 /nfs/dbraw/zinc/95/43/23/1044954323.db2.gz AMLPMGMWVSUILU-OAHLLOKOSA-N 1 1 313.445 4.292 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3F)cs2)cc1 ZINC000373336298 1044965916 /nfs/dbraw/zinc/96/59/16/1044965916.db2.gz FJKGUCYBYXSTHX-UHFFFAOYSA-N 1 1 323.396 4.111 20 30 DIEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135208416 1044974550 /nfs/dbraw/zinc/97/45/50/1044974550.db2.gz BNJGQKJZTRZIPT-GOSISDBHSA-N 1 1 314.473 4.269 20 30 DIEDMO CC[C@](C)([NH2+]Cc1ccccc1C(C)(C)C#N)c1nccs1 ZINC000135246219 1044976430 /nfs/dbraw/zinc/97/64/30/1044976430.db2.gz RINIHPUKKBHHPD-SFHVURJKSA-N 1 1 313.470 4.359 20 30 DIEDMO N#CC1(CC[N@H+](Cc2ccco2)C[C@@H]2CCCO2)CCCCC1 ZINC000411182664 1044982220 /nfs/dbraw/zinc/98/22/20/1044982220.db2.gz HMFGCNKBAMACDY-SFHVURJKSA-N 1 1 316.445 4.125 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC000338264156 1044988650 /nfs/dbraw/zinc/98/86/50/1044988650.db2.gz OQLPZYSRARDYQT-QGZVFWFLSA-N 1 1 308.425 4.042 20 30 DIEDMO COc1ccccc1C[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC000338264156 1044988668 /nfs/dbraw/zinc/98/86/68/1044988668.db2.gz OQLPZYSRARDYQT-QGZVFWFLSA-N 1 1 308.425 4.042 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000373574223 1044988698 /nfs/dbraw/zinc/98/86/98/1044988698.db2.gz HQRDFHIBOPMQHS-UHFFFAOYSA-N 1 1 319.493 4.496 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccc(CC)cn1)c1ccc(F)c(F)c1 ZINC000411555568 1045018690 /nfs/dbraw/zinc/01/86/90/1045018690.db2.gz NKSDKLOHYLJZEV-GOSISDBHSA-N 1 1 302.368 4.329 20 30 DIEDMO N#CC1(CCC[N@H+]2CCC[C@H]2C2CCCCC2)CCOCC1 ZINC000374157149 1045033979 /nfs/dbraw/zinc/03/39/79/1045033979.db2.gz FKKPEMAWLCBORN-SFHVURJKSA-N 1 1 304.478 4.132 20 30 DIEDMO C=CCC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000525329040 1045038943 /nfs/dbraw/zinc/03/89/43/1045038943.db2.gz WQVJPYKDTQHBHK-UHFFFAOYSA-N 1 1 301.352 4.252 20 30 DIEDMO C[N@@H+](CCCCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152602563 1045044234 /nfs/dbraw/zinc/04/42/34/1045044234.db2.gz UVLGREIEDVNCJQ-UHFFFAOYSA-N 1 1 321.262 4.106 20 30 DIEDMO COc1ccccc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000446842705 1045055856 /nfs/dbraw/zinc/05/58/56/1045055856.db2.gz HKNOEHKUQLUBQI-LJQANCHMSA-N 1 1 309.384 4.023 20 30 DIEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000576790517 1045079927 /nfs/dbraw/zinc/07/99/27/1045079927.db2.gz XVVPVAOUKPCVRS-RDTXWAMCSA-N 1 1 310.397 4.133 20 30 DIEDMO CCCCCCC[C@@H](C)[NH2+][C@H](CCSC)C(=O)OCC ZINC001258039471 1045118417 /nfs/dbraw/zinc/11/84/17/1045118417.db2.gz RAXTWMZNFQLWHG-HUUCEWRRSA-N 1 1 303.512 4.010 20 30 DIEDMO CCCCC[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000577406043 1045122056 /nfs/dbraw/zinc/12/20/56/1045122056.db2.gz UOTHZYLPERMENE-UHFFFAOYSA-N 1 1 322.452 4.210 20 30 DIEDMO N#Cc1csc(C[N@@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000577432363 1045123532 /nfs/dbraw/zinc/12/35/32/1045123532.db2.gz KVGWBURAPUOXIO-UHFFFAOYSA-N 1 1 311.454 4.002 20 30 DIEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1 ZINC000600779216 1045137414 /nfs/dbraw/zinc/13/74/14/1045137414.db2.gz QFTAOBKZKMCOMD-AWEZNQCLSA-N 1 1 316.408 4.086 20 30 DIEDMO Cc1[nH+]cn(-c2ccc(NCc3cccc(F)c3C#N)cc2)c1C ZINC000600854296 1045150346 /nfs/dbraw/zinc/15/03/46/1045150346.db2.gz QPQWCMDJBCHJSN-UHFFFAOYSA-N 1 1 320.371 4.112 20 30 DIEDMO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1C ZINC000447731167 1045167382 /nfs/dbraw/zinc/16/73/82/1045167382.db2.gz UBHUTRQCABZZJW-PMACEKPBSA-N 1 1 320.436 4.275 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)ccc1C ZINC000447731167 1045167389 /nfs/dbraw/zinc/16/73/89/1045167389.db2.gz UBHUTRQCABZZJW-PMACEKPBSA-N 1 1 320.436 4.275 20 30 DIEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000577789152 1045170686 /nfs/dbraw/zinc/17/06/86/1045170686.db2.gz HZKYDQOWUMTIRG-SJORKVTESA-N 1 1 311.454 4.173 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1ccc(C(F)F)nc1)c1ccccc1 ZINC000601114556 1045190278 /nfs/dbraw/zinc/19/02/78/1045190278.db2.gz RUPQVLSFGOHUPJ-OAHLLOKOSA-N 1 1 301.340 4.154 20 30 DIEDMO N#CC1(c2ccc(C[NH2+][C@@H](CF)c3ccc(F)cc3)cc2)CC1 ZINC000601165908 1045195707 /nfs/dbraw/zinc/19/57/07/1045195707.db2.gz BWENDLSITXDKIR-SFHVURJKSA-N 1 1 312.363 4.181 20 30 DIEDMO C=CCCCCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001271935521 1045198072 /nfs/dbraw/zinc/19/80/72/1045198072.db2.gz NMKHAJOABOUGCE-QGZVFWFLSA-N 1 1 322.880 4.195 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)CC2(F)CC2)cc1 ZINC000527219328 1045204977 /nfs/dbraw/zinc/20/49/77/1045204977.db2.gz JXTPSKGDTPOVLU-UHFFFAOYSA-N 1 1 312.363 4.202 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)CC2(F)CC2)cc1 ZINC000527219328 1045204982 /nfs/dbraw/zinc/20/49/82/1045204982.db2.gz JXTPSKGDTPOVLU-UHFFFAOYSA-N 1 1 312.363 4.202 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000578170140 1045218051 /nfs/dbraw/zinc/21/80/51/1045218051.db2.gz RNRGUVGDQSSQCV-IWGBCORSSA-N 1 1 302.421 4.430 20 30 DIEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)cc1 ZINC000578170139 1045218311 /nfs/dbraw/zinc/21/83/11/1045218311.db2.gz RNRGUVGDQSSQCV-BIGNBACZSA-N 1 1 302.421 4.430 20 30 DIEDMO C=CC[C@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1ccncc1 ZINC000925073861 1045224361 /nfs/dbraw/zinc/22/43/61/1045224361.db2.gz FMSIERLMQGOUKU-IRXDYDNUSA-N 1 1 314.816 4.213 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000216167969 1045301986 /nfs/dbraw/zinc/30/19/86/1045301986.db2.gz UYDKNGFSFGKIOY-LLVKDONJSA-N 1 1 315.244 4.218 20 30 DIEDMO Cc1cccc(Oc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000579390377 1045311357 /nfs/dbraw/zinc/31/13/57/1045311357.db2.gz DEGAJFJGWOMMPL-QGZVFWFLSA-N 1 1 319.408 4.320 20 30 DIEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000579418183 1045313618 /nfs/dbraw/zinc/31/36/18/1045313618.db2.gz ZVUBWBOAKSIMFI-UHFFFAOYSA-N 1 1 318.342 4.252 20 30 DIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536041 1045321263 /nfs/dbraw/zinc/32/12/63/1045321263.db2.gz UVOJGWVMBCLSKJ-KDOFPFPSSA-N 1 1 311.454 4.296 20 30 DIEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536041 1045321268 /nfs/dbraw/zinc/32/12/68/1045321268.db2.gz UVOJGWVMBCLSKJ-KDOFPFPSSA-N 1 1 311.454 4.296 20 30 DIEDMO COc1ccc(C[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC000579539367 1045322295 /nfs/dbraw/zinc/32/22/95/1045322295.db2.gz KGGMYSDEWXVEKR-SFHVURJKSA-N 1 1 320.436 4.022 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1ccnc2c(Br)cccc12 ZINC000449225584 1045364002 /nfs/dbraw/zinc/36/40/02/1045364002.db2.gz KVCGOVAGJXROJV-UHFFFAOYSA-N 1 1 305.219 4.005 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000129868717 1045376824 /nfs/dbraw/zinc/37/68/24/1045376824.db2.gz IYXWEQQRGPQABL-UHFFFAOYSA-N 1 1 320.314 4.335 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)o1 ZINC000129868717 1045376828 /nfs/dbraw/zinc/37/68/28/1045376828.db2.gz IYXWEQQRGPQABL-UHFFFAOYSA-N 1 1 320.314 4.335 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc2ccoc21 ZINC000449318079 1045376856 /nfs/dbraw/zinc/37/68/56/1045376856.db2.gz CPIOXADGJLECGF-UHFFFAOYSA-N 1 1 311.381 4.096 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000449364457 1045382543 /nfs/dbraw/zinc/38/25/43/1045382543.db2.gz QPCDFNMYHSHHJK-MISXGVKJSA-N 1 1 314.326 4.249 20 30 DIEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000475658145 1045426405 /nfs/dbraw/zinc/42/64/05/1045426405.db2.gz CXHKHSILVZMTDS-MJGOQNOKSA-N 1 1 314.473 4.027 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(CC#N)c2)C1 ZINC000449692615 1045427067 /nfs/dbraw/zinc/42/70/67/1045427067.db2.gz BPTPKVMJAWERLG-OXJNMPFZSA-N 1 1 305.425 4.000 20 30 DIEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3ccc(C#N)cc3F)C2)c1 ZINC000449757017 1045434839 /nfs/dbraw/zinc/43/48/39/1045434839.db2.gz QTCCJNJIBDAGDI-IYARVYRRSA-N 1 1 324.399 4.084 20 30 DIEDMO C#CCCCCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC001168115525 1045471927 /nfs/dbraw/zinc/47/19/27/1045471927.db2.gz SQWJZFBTCRFTSE-UHFFFAOYSA-N 1 1 318.436 4.058 20 30 DIEDMO C=CC[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000302945804 1045513691 /nfs/dbraw/zinc/51/36/91/1045513691.db2.gz LDGUBTJIQISJGI-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO C=CC[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000302945804 1045513692 /nfs/dbraw/zinc/51/36/92/1045513692.db2.gz LDGUBTJIQISJGI-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO C#Cc1cccc(NC(=O)c2ccc(C[N@H+](CC)CCC)cc2)c1 ZINC000750831373 1045560389 /nfs/dbraw/zinc/56/03/89/1045560389.db2.gz JSJJXKSEZXJDMS-UHFFFAOYSA-N 1 1 320.436 4.152 20 30 DIEDMO C=CC[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccncc2)C1 ZINC000628405944 1045577933 /nfs/dbraw/zinc/57/79/33/1045577933.db2.gz YGBLAKSPQIECHM-KRWDZBQOSA-N 1 1 308.425 4.059 20 30 DIEDMO CC(=NNc1ccc(F)cc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751516165 1045609163 /nfs/dbraw/zinc/60/91/63/1045609163.db2.gz GLUYMOWTWVMRCI-UHFFFAOYSA-N 1 1 308.360 4.156 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccccc1Cl ZINC000800347952 1045609898 /nfs/dbraw/zinc/60/98/98/1045609898.db2.gz ZJQZOABNCPNLFV-KRWDZBQOSA-N 1 1 308.853 4.025 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1Cl ZINC000800347952 1045609902 /nfs/dbraw/zinc/60/99/02/1045609902.db2.gz ZJQZOABNCPNLFV-KRWDZBQOSA-N 1 1 308.853 4.025 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccc(C)c2)cc1 ZINC000751518611 1045610646 /nfs/dbraw/zinc/61/06/46/1045610646.db2.gz WLXRXTVUHISEEF-WDZFZDKYSA-N 1 1 302.377 4.385 20 30 DIEDMO Cc1ccsc1/C=C\C(=O)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751517600 1045610885 /nfs/dbraw/zinc/61/08/85/1045610885.db2.gz MUNQGZZUZDAMNG-FPLPWBNLSA-N 1 1 308.406 4.447 20 30 DIEDMO CC(C)c1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000451065911 1045622212 /nfs/dbraw/zinc/62/22/12/1045622212.db2.gz SJOUDDNEXNTLRE-OAHLLOKOSA-N 1 1 314.458 4.186 20 30 DIEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1F ZINC000451150947 1045635591 /nfs/dbraw/zinc/63/55/91/1045635591.db2.gz YENDRUWPYLOMME-LOWVWBTDSA-N 1 1 314.326 4.249 20 30 DIEDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1C ZINC000751932602 1045641771 /nfs/dbraw/zinc/64/17/71/1045641771.db2.gz PQFAKRXXSGQZIM-PMACEKPBSA-N 1 1 320.436 4.281 20 30 DIEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000451203113 1045646255 /nfs/dbraw/zinc/64/62/55/1045646255.db2.gz QZNLGDCFMNVFEI-NRFANRHFSA-N 1 1 320.436 4.084 20 30 DIEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000752094313 1045658240 /nfs/dbraw/zinc/65/82/40/1045658240.db2.gz VNEIZWQIZPIQRZ-UHFFFAOYSA-N 1 1 312.363 4.216 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530419367 1045663114 /nfs/dbraw/zinc/66/31/14/1045663114.db2.gz LSPGYORYWPPMNO-IBGZPJMESA-N 1 1 312.457 4.262 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCCC(C)(C)C#N)c1 ZINC000530626101 1045702408 /nfs/dbraw/zinc/70/24/08/1045702408.db2.gz GHQRGIMAUJMIGC-QGZVFWFLSA-N 1 1 300.446 4.032 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)CC[C@H]1C(F)(F)F ZINC000191663813 1045744836 /nfs/dbraw/zinc/74/48/36/1045744836.db2.gz QJUOFUPMHKTDBY-GFCCVEGCSA-N 1 1 302.365 4.030 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CC[C@H]1C(F)(F)F ZINC000191663813 1045744850 /nfs/dbraw/zinc/74/48/50/1045744850.db2.gz QJUOFUPMHKTDBY-GFCCVEGCSA-N 1 1 302.365 4.030 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC000801596699 1045749139 /nfs/dbraw/zinc/74/91/39/1045749139.db2.gz LACIXVGSMBHTLW-UHFFFAOYSA-N 1 1 324.424 4.097 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC000801597092 1045753516 /nfs/dbraw/zinc/75/35/16/1045753516.db2.gz ARCGQOMVYNSDDW-UHFFFAOYSA-N 1 1 312.388 4.205 20 30 DIEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000191988225 1045771314 /nfs/dbraw/zinc/77/13/14/1045771314.db2.gz UFFIIEKJKUNTCX-SFHVURJKSA-N 1 1 310.372 4.043 20 30 DIEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913165 1045836683 /nfs/dbraw/zinc/83/66/83/1045836683.db2.gz QZCSQGYMSAIIMY-XHDPSFHLSA-N 1 1 313.228 4.059 20 30 DIEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000801913165 1045836711 /nfs/dbraw/zinc/83/67/11/1045836711.db2.gz QZCSQGYMSAIIMY-XHDPSFHLSA-N 1 1 313.228 4.059 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801913978 1045837286 /nfs/dbraw/zinc/83/72/86/1045837286.db2.gz PZWKXSMPSMJSEF-ZWKOTPCHSA-N 1 1 308.425 4.178 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCCC[N@H+]2CCO[C@H](C)C#N)cc1 ZINC000801935509 1045852886 /nfs/dbraw/zinc/85/28/86/1045852886.db2.gz GJXFLYKGWFQTMW-APWZRJJASA-N 1 1 300.446 4.266 20 30 DIEDMO CC(C)=CC[N@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801953895 1045860501 /nfs/dbraw/zinc/86/05/01/1045860501.db2.gz YILJMUGBTRWJRK-HNNXBMFYSA-N 1 1 306.837 4.037 20 30 DIEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1N1CCCCC1 ZINC000828488811 1045910113 /nfs/dbraw/zinc/91/01/13/1045910113.db2.gz PGIUETUKTRSZPO-MRXNPFEDSA-N 1 1 311.473 4.109 20 30 DIEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1N1CCCCC1 ZINC000828488811 1045910121 /nfs/dbraw/zinc/91/01/21/1045910121.db2.gz PGIUETUKTRSZPO-MRXNPFEDSA-N 1 1 311.473 4.109 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Br)[C@H](C)CC ZINC001137632829 1045913775 /nfs/dbraw/zinc/91/37/75/1045913775.db2.gz LSGACRGSDRWDMM-GFCCVEGCSA-N 1 1 309.251 4.331 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc3ccccc3s1)C2 ZINC001137681456 1045932979 /nfs/dbraw/zinc/93/29/79/1045932979.db2.gz XSENACDCWIZDLJ-UHFFFAOYSA-N 1 1 304.418 4.331 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1C#N ZINC001137703933 1045939740 /nfs/dbraw/zinc/93/97/40/1045939740.db2.gz ZLSMWGNBXIWLQK-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)c(C#N)c1 ZINC001137703069 1045939983 /nfs/dbraw/zinc/93/99/83/1045939983.db2.gz BYFVHLUGQAWOHT-FQEVSTJZSA-N 1 1 306.409 4.212 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1 ZINC001137704764 1045940528 /nfs/dbraw/zinc/94/05/28/1045940528.db2.gz USIREBXQONLHTM-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(Cl)cc2)c(C#N)c1 ZINC001137704764 1045940533 /nfs/dbraw/zinc/94/05/33/1045940533.db2.gz USIREBXQONLHTM-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137706263 1045941488 /nfs/dbraw/zinc/94/14/88/1045941488.db2.gz UURFNONXYYBGPP-HXUWFJFHSA-N 1 1 306.409 4.076 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OC)cc1C#N ZINC001137706263 1045941507 /nfs/dbraw/zinc/94/15/07/1045941507.db2.gz UURFNONXYYBGPP-HXUWFJFHSA-N 1 1 306.409 4.076 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2ccc(Cl)cc12)Cc1cccc(C#N)c1 ZINC001137715799 1045943888 /nfs/dbraw/zinc/94/38/88/1045943888.db2.gz HBMZMFDGBYDXTB-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO CCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000755079451 1045950360 /nfs/dbraw/zinc/95/03/60/1045950360.db2.gz UJHHENKYPWRXNK-MSOLQXFVSA-N 1 1 323.525 4.004 20 30 DIEDMO CCCCCCC[N@H+](C)Cc1nc(Br)cs1 ZINC001137780217 1045962822 /nfs/dbraw/zinc/96/28/22/1045962822.db2.gz YDPCPTLOOQNBMI-UHFFFAOYSA-N 1 1 305.285 4.308 20 30 DIEDMO CCCCCCC[N@@H+](C)Cc1nc(Br)cs1 ZINC001137780217 1045962839 /nfs/dbraw/zinc/96/28/39/1045962839.db2.gz YDPCPTLOOQNBMI-UHFFFAOYSA-N 1 1 305.285 4.308 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(-c2cncnc2)c1 ZINC001137770344 1045963065 /nfs/dbraw/zinc/96/30/65/1045963065.db2.gz HWPLPMGIXLSHJB-UHFFFAOYSA-N 1 1 315.420 4.332 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cc(F)cc(F)c2)cc1 ZINC000755600093 1046000065 /nfs/dbraw/zinc/00/00/65/1046000065.db2.gz XSOLCKFIJNURSN-FARCUNLSSA-N 1 1 324.330 4.355 20 30 DIEDMO CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001137904333 1046004408 /nfs/dbraw/zinc/00/44/08/1046004408.db2.gz ZABOYTCVLDDBEA-GHTZIAJQSA-N 1 1 317.436 4.310 20 30 DIEDMO CCCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1O ZINC000802657726 1046029370 /nfs/dbraw/zinc/02/93/70/1046029370.db2.gz PBBCZKFDMPMXHN-UHFFFAOYSA-N 1 1 300.427 4.128 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(F)cc1Cl ZINC000902808299 1046074826 /nfs/dbraw/zinc/07/48/26/1046074826.db2.gz IAZGGJHSLGYDDD-MNOVXSKESA-N 1 1 303.768 4.158 20 30 DIEDMO CC[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1 ZINC000902833409 1046081658 /nfs/dbraw/zinc/08/16/58/1046081658.db2.gz ZCJNQOKLNFVVAY-FQEVSTJZSA-N 1 1 311.473 4.006 20 30 DIEDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(OC(C)(C)C)c1 ZINC000902838181 1046082179 /nfs/dbraw/zinc/08/21/79/1046082179.db2.gz CURNCCDHPVVGFU-HNNXBMFYSA-N 1 1 323.440 4.290 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cccc(OCc2ccccc2)c1 ZINC001138079404 1046084668 /nfs/dbraw/zinc/08/46/68/1046084668.db2.gz HIAKLHPMVRAXOU-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cccc(OCc2ccccc2)c1 ZINC001138079404 1046084682 /nfs/dbraw/zinc/08/46/82/1046084682.db2.gz HIAKLHPMVRAXOU-UHFFFAOYSA-N 1 1 308.425 4.391 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001138085509 1046087787 /nfs/dbraw/zinc/08/77/87/1046087787.db2.gz JRSSAKKKKLXOSJ-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001138085509 1046087805 /nfs/dbraw/zinc/08/78/05/1046087805.db2.gz JRSSAKKKKLXOSJ-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO Fc1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001138092701 1046091083 /nfs/dbraw/zinc/09/10/83/1046091083.db2.gz UHFXYOLQGPSILF-SECBINFHSA-N 1 1 315.232 4.229 20 30 DIEDMO Fc1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001138092701 1046091095 /nfs/dbraw/zinc/09/10/95/1046091095.db2.gz UHFXYOLQGPSILF-SECBINFHSA-N 1 1 315.232 4.229 20 30 DIEDMO Cn1cc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)cc1C#N ZINC000453624655 1046095706 /nfs/dbraw/zinc/09/57/06/1046095706.db2.gz YRWQWHJRHIYECA-IBGZPJMESA-N 1 1 305.425 4.014 20 30 DIEDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cc(F)ccc1F ZINC000902870356 1046096672 /nfs/dbraw/zinc/09/66/72/1046096672.db2.gz CKABLSNBZLJBRE-MEDUHNTESA-N 1 1 301.340 4.033 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CCCCC1 ZINC001138158817 1046111760 /nfs/dbraw/zinc/11/17/60/1046111760.db2.gz CEXSESBPNZBEHL-UHFFFAOYSA-N 1 1 301.459 4.459 20 30 DIEDMO CC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc(C#N)c1 ZINC000902949698 1046124834 /nfs/dbraw/zinc/12/48/34/1046124834.db2.gz AYBMEDOINANCKB-HZPDHXFCSA-N 1 1 314.335 4.011 20 30 DIEDMO C#CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000756776509 1046132255 /nfs/dbraw/zinc/13/22/55/1046132255.db2.gz PUTJSDRZKUGFBA-PXAZEXFGSA-N 1 1 301.336 4.086 20 30 DIEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000756899453 1046149449 /nfs/dbraw/zinc/14/94/49/1046149449.db2.gz HAWUFXKJSQQVAO-GOSISDBHSA-N 1 1 301.455 4.250 20 30 DIEDMO CCc1cccc2c(C[N@H+]3CCc4cc(C#N)ccc4C3)c[nH]c21 ZINC001138359567 1046154691 /nfs/dbraw/zinc/15/46/91/1046154691.db2.gz FPWWAIYZLLBORY-UHFFFAOYSA-N 1 1 315.420 4.160 20 30 DIEDMO CCc1cccc2c(C[N@@H+](C)Cc3cccc(C#N)c3)c[nH]c21 ZINC001138363091 1046156558 /nfs/dbraw/zinc/15/65/58/1046156558.db2.gz FCJBKUQDXQVGHF-UHFFFAOYSA-N 1 1 303.409 4.234 20 30 DIEDMO COc1cc([C@H](C)[NH2+]CC(C)(C)C#N)ccc1SC(F)F ZINC000903100766 1046163455 /nfs/dbraw/zinc/16/34/55/1046163455.db2.gz XEZZHCKQGJNEMR-JTQLQIEISA-N 1 1 314.401 4.210 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCCCC2)c(F)c1 ZINC000903100337 1046163751 /nfs/dbraw/zinc/16/37/51/1046163751.db2.gz OENHCHAFEJFZPT-CQSZACIVSA-N 1 1 303.425 4.016 20 30 DIEDMO Cc1nc(-c2cc([C@@H](C)[NH2+]CC(C)(C)C#N)cs2)cs1 ZINC000903100601 1046163964 /nfs/dbraw/zinc/16/39/64/1046163964.db2.gz ULQYYZASJRYMBI-SNVBAGLBSA-N 1 1 305.472 4.380 20 30 DIEDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903108876 1046164742 /nfs/dbraw/zinc/16/47/42/1046164742.db2.gz INYNGPYRHKAKFN-GFCCVEGCSA-N 1 1 319.430 4.051 20 30 DIEDMO CCOc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001138443428 1046182850 /nfs/dbraw/zinc/18/28/50/1046182850.db2.gz DEXPWQRVUGUMRK-MRXNPFEDSA-N 1 1 308.425 4.364 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc(Cl)c1 ZINC000903177912 1046185666 /nfs/dbraw/zinc/18/56/66/1046185666.db2.gz RNBDKWVBEXEQLB-HNNXBMFYSA-N 1 1 318.852 4.379 20 30 DIEDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc2)cc1 ZINC001138516476 1046209029 /nfs/dbraw/zinc/20/90/29/1046209029.db2.gz MHOSKEOICXVGMT-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(Cl)c1 ZINC000903262235 1046210592 /nfs/dbraw/zinc/21/05/92/1046210592.db2.gz BPNYTXDKNFCWEG-OAHLLOKOSA-N 1 1 317.845 4.465 20 30 DIEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC(C)(C)C)cc1 ZINC000903263896 1046212318 /nfs/dbraw/zinc/21/23/18/1046212318.db2.gz OWGJRHVXARQRBA-GFCCVEGCSA-N 1 1 315.442 4.043 20 30 DIEDMO CC(C)C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000903262887 1046213065 /nfs/dbraw/zinc/21/30/65/1046213065.db2.gz IMLHAMVKWKKKSQ-HNNXBMFYSA-N 1 1 303.406 4.031 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)c2ccccc2F)cc1 ZINC000245501069 1046237690 /nfs/dbraw/zinc/23/76/90/1046237690.db2.gz BUFVOSNBQIQXPK-HUUCEWRRSA-N 1 1 312.388 4.310 20 30 DIEDMO Cc1ccc([C@@H](C)[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245503102 1046238096 /nfs/dbraw/zinc/23/80/96/1046238096.db2.gz HNBNDBPPUZELIE-IAGOWNOFSA-N 1 1 308.425 4.479 20 30 DIEDMO Cc1ccc([C@H](C)[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cc1 ZINC000245503103 1046238387 /nfs/dbraw/zinc/23/83/87/1046238387.db2.gz HNBNDBPPUZELIE-SJORKVTESA-N 1 1 308.425 4.479 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903329208 1046240670 /nfs/dbraw/zinc/24/06/70/1046240670.db2.gz QFYHILQPVGVLQH-KBXCAEBGSA-N 1 1 308.429 4.095 20 30 DIEDMO Cc1cccnc1[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)C(C)(C)C ZINC000903329635 1046240844 /nfs/dbraw/zinc/24/08/44/1046240844.db2.gz SPDLJUPMSVRFFU-IFXJQAMLSA-N 1 1 323.440 4.405 20 30 DIEDMO Cc1cccnc1[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)C ZINC000903329210 1046241654 /nfs/dbraw/zinc/24/16/54/1046241654.db2.gz QFYHILQPVGVLQH-KSSFIOAISA-N 1 1 308.429 4.095 20 30 DIEDMO C=CCc1cccc(C[N@@H+](CC)Cc2ccc(OC)cc2)c1O ZINC001138629504 1046246144 /nfs/dbraw/zinc/24/61/44/1046246144.db2.gz BDMPAKWYWJRVPI-UHFFFAOYSA-N 1 1 311.425 4.151 20 30 DIEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)c1O ZINC001138629665 1046250840 /nfs/dbraw/zinc/25/08/40/1046250840.db2.gz DZNAXOXSNVPDRZ-GOSISDBHSA-N 1 1 323.436 4.119 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC001138665881 1046260237 /nfs/dbraw/zinc/26/02/37/1046260237.db2.gz ZKFHIESNRWOBOD-UHFFFAOYSA-N 1 1 316.832 4.322 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001138665881 1046260249 /nfs/dbraw/zinc/26/02/49/1046260249.db2.gz ZKFHIESNRWOBOD-UHFFFAOYSA-N 1 1 316.832 4.322 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001138661562 1046260961 /nfs/dbraw/zinc/26/09/61/1046260961.db2.gz CLCWBGBESWWNNF-ZBFHGGJFSA-N 1 1 307.384 4.119 20 30 DIEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC001138662873 1046261268 /nfs/dbraw/zinc/26/12/68/1046261268.db2.gz FUBHLXPDDNAMPF-LJQANCHMSA-N 1 1 308.425 4.374 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)cc1 ZINC000245714001 1046262580 /nfs/dbraw/zinc/26/25/80/1046262580.db2.gz GNNRQJIUXNJJEI-JXXFODFXSA-N 1 1 306.409 4.170 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000245713910 1046263035 /nfs/dbraw/zinc/26/30/35/1046263035.db2.gz GMKYRNNVICJFNB-FXAWDEMLSA-N 1 1 310.441 4.300 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccccc1 ZINC000758415514 1046267590 /nfs/dbraw/zinc/26/75/90/1046267590.db2.gz KMVPXNFNXSGMMN-HNNXBMFYSA-N 1 1 310.397 4.290 20 30 DIEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCCC[C@H]2c2ccccc2)cc1 ZINC000245963559 1046288615 /nfs/dbraw/zinc/28/86/15/1046288615.db2.gz DBWRIYVZAOMCNN-LEWJYISDSA-N 1 1 320.436 4.209 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138779473 1046290536 /nfs/dbraw/zinc/29/05/36/1046290536.db2.gz KOOPDIJXAYGDPX-SFHVURJKSA-N 1 1 307.482 4.375 20 30 DIEDMO Cc1ccc2cc(C[N@@H+]3CCC[C@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862669 1046313060 /nfs/dbraw/zinc/31/30/60/1046313060.db2.gz NXBQJOOEZWLAFY-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2cc(C[N@H+]3CCC[C@H](CC#N)C3)c(Cl)nc2c1 ZINC001138862669 1046313075 /nfs/dbraw/zinc/31/30/75/1046313075.db2.gz NXBQJOOEZWLAFY-CQSZACIVSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2cc(C[N@@H+]3CCC[C@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862984 1046313954 /nfs/dbraw/zinc/31/39/54/1046313954.db2.gz WQFDJPHCJHWZBS-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO Cc1ccc2cc(C[N@H+]3CCC[C@H](C#N)CC3)c(Cl)nc2c1 ZINC001138862984 1046313974 /nfs/dbraw/zinc/31/39/74/1046313974.db2.gz WQFDJPHCJHWZBS-AWEZNQCLSA-N 1 1 313.832 4.322 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC001138906175 1046325442 /nfs/dbraw/zinc/32/54/42/1046325442.db2.gz ISIIKJCGPFRYCH-UHFFFAOYSA-N 1 1 306.203 4.230 20 30 DIEDMO C=CC[N@H+](Cc1ccc(Br)o1)Cc1ccccc1 ZINC001138906175 1046325457 /nfs/dbraw/zinc/32/54/57/1046325457.db2.gz ISIIKJCGPFRYCH-UHFFFAOYSA-N 1 1 306.203 4.230 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](C#N)CC3)ccc21 ZINC001138918552 1046327588 /nfs/dbraw/zinc/32/75/88/1046327588.db2.gz IGWOPJPDCDINAL-INIZCTEOSA-N 1 1 317.436 4.457 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc21 ZINC001138920427 1046328419 /nfs/dbraw/zinc/32/84/19/1046328419.db2.gz PXFFZHRDZQHFLS-HXUWFJFHSA-N 1 1 303.409 4.067 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc21 ZINC001138920427 1046328429 /nfs/dbraw/zinc/32/84/29/1046328429.db2.gz PXFFZHRDZQHFLS-HXUWFJFHSA-N 1 1 303.409 4.067 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC001138920426 1046328745 /nfs/dbraw/zinc/32/87/45/1046328745.db2.gz PXFFZHRDZQHFLS-FQEVSTJZSA-N 1 1 303.409 4.067 20 30 DIEDMO Cn1c2ccccc2c2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc21 ZINC001138920426 1046328755 /nfs/dbraw/zinc/32/87/55/1046328755.db2.gz PXFFZHRDZQHFLS-FQEVSTJZSA-N 1 1 303.409 4.067 20 30 DIEDMO C=CC[N@H+](Cc1cc(Br)cnc1Cl)C(C)(C)C ZINC001138946487 1046334814 /nfs/dbraw/zinc/33/48/14/1046334814.db2.gz MTLDNAFCUJTUMN-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO C=CC[N@@H+](Cc1cc(Br)cnc1Cl)C(C)(C)C ZINC001138946487 1046334822 /nfs/dbraw/zinc/33/48/22/1046334822.db2.gz MTLDNAFCUJTUMN-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000748250770 1046358201 /nfs/dbraw/zinc/35/82/01/1046358201.db2.gz PQQHZYUFHFSBKV-UHFFFAOYSA-N 1 1 323.440 4.391 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC001139030736 1046365335 /nfs/dbraw/zinc/36/53/35/1046365335.db2.gz SOHGMCCHHHIYOK-INIZCTEOSA-N 1 1 311.425 4.453 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)c1ccccc1OC ZINC001139030178 1046365556 /nfs/dbraw/zinc/36/55/56/1046365556.db2.gz HDHZWFPRTMWFFK-MRXNPFEDSA-N 1 1 311.425 4.453 20 30 DIEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)c1ccccc1OC ZINC001139030178 1046365571 /nfs/dbraw/zinc/36/55/71/1046365571.db2.gz HDHZWFPRTMWFFK-MRXNPFEDSA-N 1 1 311.425 4.453 20 30 DIEDMO CC[N@@H+](CCCCCn1cccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000170913078 1046390544 /nfs/dbraw/zinc/39/05/44/1046390544.db2.gz PGIGBTXXCKHRPJ-KRWDZBQOSA-N 1 1 310.445 4.008 20 30 DIEDMO CCCCCCC[N@@H+](CC)Cc1ccc(-n2cncn2)cc1 ZINC001139332263 1046429854 /nfs/dbraw/zinc/42/98/54/1046429854.db2.gz LUZPFPQGCUXWEM-UHFFFAOYSA-N 1 1 300.450 4.060 20 30 DIEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001139362526 1046438518 /nfs/dbraw/zinc/43/85/18/1046438518.db2.gz YKFAXBYZJVMGEM-GOSISDBHSA-N 1 1 308.510 4.260 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC1 ZINC001139406890 1046443652 /nfs/dbraw/zinc/44/36/52/1046443652.db2.gz ITIRRKTUUDBREW-UHFFFAOYSA-N 1 1 305.425 4.241 20 30 DIEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2)c1 ZINC001139405477 1046443807 /nfs/dbraw/zinc/44/38/07/1046443807.db2.gz REYKTXXGAGDQGZ-CTNGQTDRSA-N 1 1 317.436 4.385 20 30 DIEDMO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CCCC1 ZINC001139425473 1046448509 /nfs/dbraw/zinc/44/85/09/1046448509.db2.gz PPNIBCGNKISPMO-UHFFFAOYSA-N 1 1 307.397 4.120 20 30 DIEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427613 1046450143 /nfs/dbraw/zinc/45/01/43/1046450143.db2.gz MUCBGGVKHYBPQH-INIZCTEOSA-N 1 1 321.424 4.368 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139427679 1046450460 /nfs/dbraw/zinc/45/04/60/1046450460.db2.gz NKKZBIZSXXQZIS-UHFFFAOYSA-N 1 1 307.397 4.144 20 30 DIEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428276 1046451220 /nfs/dbraw/zinc/45/12/20/1046451220.db2.gz IEMLHQNGELGKSK-LJQANCHMSA-N 1 1 321.424 4.366 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC001139529402 1046462726 /nfs/dbraw/zinc/46/27/26/1046462726.db2.gz QNIGIQPDFLGVOS-UHFFFAOYSA-N 1 1 302.780 4.373 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139531151 1046465067 /nfs/dbraw/zinc/46/50/67/1046465067.db2.gz OBVKLBUZYSZZPM-LJQANCHMSA-N 1 1 324.399 4.181 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139531151 1046465075 /nfs/dbraw/zinc/46/50/75/1046465075.db2.gz OBVKLBUZYSZZPM-LJQANCHMSA-N 1 1 324.399 4.181 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(SC(F)(F)F)cc2)C1 ZINC000826861263 1046477116 /nfs/dbraw/zinc/47/71/16/1046477116.db2.gz CYMHHIIWWARTSH-GFCCVEGCSA-N 1 1 314.376 4.424 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826862101 1046479448 /nfs/dbraw/zinc/47/94/48/1046479448.db2.gz UPNDMGHNILOJOK-MRXNPFEDSA-N 1 1 306.409 4.185 20 30 DIEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000127872817 1046489239 /nfs/dbraw/zinc/48/92/39/1046489239.db2.gz MMAHNVDOEIUPCR-HNNXBMFYSA-N 1 1 311.429 4.337 20 30 DIEDMO Cc1cccc(OC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)c1 ZINC001139649442 1046494787 /nfs/dbraw/zinc/49/47/87/1046494787.db2.gz HWXHSCXXAZQOAB-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001139694019 1046501196 /nfs/dbraw/zinc/50/11/96/1046501196.db2.gz YYDQCDXPOVGWOQ-AWEZNQCLSA-N 1 1 306.812 4.316 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092261475 1046502116 /nfs/dbraw/zinc/50/21/16/1046502116.db2.gz PVCIDUYMTQLQAO-KRWDZBQOSA-N 1 1 306.409 4.166 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)cc1 ZINC001139704917 1046502302 /nfs/dbraw/zinc/50/23/02/1046502302.db2.gz DKUVPGXERACYSO-CQSZACIVSA-N 1 1 319.408 4.241 20 30 DIEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@H]3c3ccccc3)c[nH]c21 ZINC001139704043 1046502401 /nfs/dbraw/zinc/50/24/01/1046502401.db2.gz ZYOUWYZCSYVVTG-IBGZPJMESA-N 1 1 301.393 4.377 20 30 DIEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000641849522 1046519799 /nfs/dbraw/zinc/51/97/99/1046519799.db2.gz BUOLLARKLNFOSD-QGZVFWFLSA-N 1 1 322.452 4.053 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877352 1046527179 /nfs/dbraw/zinc/52/71/79/1046527179.db2.gz PUKQNFDVLVOCDZ-OXQOHEQNSA-N 1 1 319.452 4.466 20 30 DIEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000359877356 1046527710 /nfs/dbraw/zinc/52/77/10/1046527710.db2.gz PUKQNFDVLVOCDZ-UZLBHIALSA-N 1 1 319.452 4.466 20 30 DIEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(F)cc(C#N)c1 ZINC001139875591 1046539178 /nfs/dbraw/zinc/53/91/78/1046539178.db2.gz VMQUXDQFIBBZTA-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cc(F)cc(C#N)c1 ZINC001139875170 1046539320 /nfs/dbraw/zinc/53/93/20/1046539320.db2.gz JFOWWRXTJJUEMV-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO Cc1ccccc1OC1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873459 1046540218 /nfs/dbraw/zinc/54/02/18/1046540218.db2.gz QLDGMHFGMLWACK-UHFFFAOYSA-N 1 1 324.399 4.049 20 30 DIEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC001139876146 1046540559 /nfs/dbraw/zinc/54/05/59/1046540559.db2.gz MURUUZFFXHONOU-MRXNPFEDSA-N 1 1 314.791 4.340 20 30 DIEDMO CC(=[NH+]NCc1ccc(Cl)cc1)c1ccc(N)cc1Cl ZINC000782906683 1046545868 /nfs/dbraw/zinc/54/58/68/1046545868.db2.gz OBAVVGCIBQRHBL-UHFFFAOYSA-N 1 1 308.212 4.089 20 30 DIEDMO Cn1ncc2cc(C[N@@H+](CCC#N)C3CCCCCCC3)ccc21 ZINC001139951687 1046558356 /nfs/dbraw/zinc/55/83/56/1046558356.db2.gz MMRPTFBJYPHIHP-UHFFFAOYSA-N 1 1 324.472 4.402 20 30 DIEDMO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C#N)cn1 ZINC000783294719 1046574459 /nfs/dbraw/zinc/57/44/59/1046574459.db2.gz URBFJGFCMQECSF-IBGZPJMESA-N 1 1 321.424 4.080 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(O)cc1Cl)[C@@H]1CCc2ccccc21 ZINC001140085297 1046584028 /nfs/dbraw/zinc/58/40/28/1046584028.db2.gz 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ZINC001140137295 1046598786 /nfs/dbraw/zinc/59/87/86/1046598786.db2.gz BCOJTYNSPZURCD-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1cccc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2F)c1 ZINC001140137295 1046598799 /nfs/dbraw/zinc/59/87/99/1046598799.db2.gz BCOJTYNSPZURCD-HXUWFJFHSA-N 1 1 324.399 4.433 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2ccncc2)cc1 ZINC001140171536 1046605906 /nfs/dbraw/zinc/60/59/06/1046605906.db2.gz QJPTYPYYXVBCJG-IRTIRVBGSA-N 1 1 303.409 4.015 20 30 DIEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000678273841 1046607212 /nfs/dbraw/zinc/60/72/12/1046607212.db2.gz ADZYHTIFJTXTBL-UHFFFAOYSA-N 1 1 309.413 4.231 20 30 DIEDMO N#Cc1csc(C[N@H+](Cc2ccccc2O)C2CCCC2)c1 ZINC000093319354 1046621911 /nfs/dbraw/zinc/62/19/11/1046621911.db2.gz MPHNSIWXPSQXPC-UHFFFAOYSA-N 1 1 312.438 4.270 20 30 DIEDMO C=CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000533058903 1046646336 /nfs/dbraw/zinc/64/63/36/1046646336.db2.gz UCDMXTZESIAOBO-MRXNPFEDSA-N 1 1 301.821 4.443 20 30 DIEDMO C[C@]1(C#N)CCC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000784013494 1046651077 /nfs/dbraw/zinc/65/10/77/1046651077.db2.gz JCNZMVRSSJVRLK-HXUWFJFHSA-N 1 1 320.392 4.417 20 30 DIEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000784013494 1046651085 /nfs/dbraw/zinc/65/10/85/1046651085.db2.gz JCNZMVRSSJVRLK-HXUWFJFHSA-N 1 1 320.392 4.417 20 30 DIEDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000784125253 1046662417 /nfs/dbraw/zinc/66/24/17/1046662417.db2.gz OBGMIRUCRWFOCV-UHFFFAOYSA-N 1 1 321.468 4.231 20 30 DIEDMO N#CCC[N@@H+](Cc1ccc(-c2ccccn2)cc1)C1CCCC1 ZINC001140379063 1046678681 /nfs/dbraw/zinc/67/86/81/1046678681.db2.gz JPCBSDNTPBPSIF-UHFFFAOYSA-N 1 1 305.425 4.407 20 30 DIEDMO C[N@@H+](Cc1ccc(-c2ccccn2)cc1)Cc1cccc(C#N)c1 ZINC001140382731 1046681200 /nfs/dbraw/zinc/68/12/00/1046681200.db2.gz ZEPPWSIUYJWWKC-UHFFFAOYSA-N 1 1 313.404 4.252 20 30 DIEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)c1 ZINC000784495074 1046693896 /nfs/dbraw/zinc/69/38/96/1046693896.db2.gz RWPOCXZFFCCDOB-IBGZPJMESA-N 1 1 320.436 4.195 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2ccno2)C(C)(C)C)cc1 ZINC000533483272 1046735080 /nfs/dbraw/zinc/73/50/80/1046735080.db2.gz YXLJYHJNJQBZSC-UHFFFAOYSA-N 1 1 300.402 4.040 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1ccco1 ZINC000796821572 1046740701 /nfs/dbraw/zinc/74/07/01/1046740701.db2.gz ZBDGLYNTSFTYEX-AWEZNQCLSA-N 1 1 313.376 4.103 20 30 DIEDMO C=CCC(C)(C)C(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000796895791 1046755269 /nfs/dbraw/zinc/75/52/69/1046755269.db2.gz AIRGUCVBCJMYKZ-GOSISDBHSA-N 1 1 315.457 4.044 20 30 DIEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000533598044 1046762417 /nfs/dbraw/zinc/76/24/17/1046762417.db2.gz SKYFBQUDKIUBFN-KRWDZBQOSA-N 1 1 320.436 4.390 20 30 DIEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1)C1CC1 ZINC000533598044 1046762433 /nfs/dbraw/zinc/76/24/33/1046762433.db2.gz SKYFBQUDKIUBFN-KRWDZBQOSA-N 1 1 320.436 4.390 20 30 DIEDMO CC[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1ccc(F)cc1O ZINC000796972804 1046766496 /nfs/dbraw/zinc/76/64/96/1046766496.db2.gz SEQIHEXRVFVNFN-ZWKOTPCHSA-N 1 1 310.372 4.131 20 30 DIEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccc(F)cc2O)cc1 ZINC000797007946 1046771373 /nfs/dbraw/zinc/77/13/73/1046771373.db2.gz SBGCWOHIEBTPMR-SFHVURJKSA-N 1 1 315.388 4.337 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)c(Cl)c2)C1 ZINC001140558982 1046781903 /nfs/dbraw/zinc/78/19/03/1046781903.db2.gz LFYAPPLGBUEJLQ-NSHDSACASA-N 1 1 317.738 4.084 20 30 DIEDMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001140592474 1046799761 /nfs/dbraw/zinc/79/97/61/1046799761.db2.gz NIENUCMGFKQMFJ-FQEVSTJZSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccc(F)cc1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001140594848 1046803369 /nfs/dbraw/zinc/80/33/69/1046803369.db2.gz RLOFGWXLOPLQQD-FQEVSTJZSA-N 1 1 324.399 4.049 20 30 DIEDMO CC[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1Cl ZINC001140602765 1046804324 /nfs/dbraw/zinc/80/43/24/1046804324.db2.gz 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1046860423 /nfs/dbraw/zinc/86/04/23/1046860423.db2.gz IFJBWRHNPOQGSE-GXTWGEPZSA-N 1 1 315.766 4.354 20 30 DIEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000679544816 1046860437 /nfs/dbraw/zinc/86/04/37/1046860437.db2.gz IFJBWRHNPOQGSE-GXTWGEPZSA-N 1 1 315.766 4.354 20 30 DIEDMO CCC[N@@H+](CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000076746529 1046867433 /nfs/dbraw/zinc/86/74/33/1046867433.db2.gz PQNRZCNLFSRXSJ-FQEVSTJZSA-N 1 1 313.489 4.057 20 30 DIEDMO Cc1c(O)ccc(C[N@@H+](CCC#N)C2CCCCCCC2)c1O ZINC001140745337 1046882146 /nfs/dbraw/zinc/88/21/46/1046882146.db2.gz GHQDGLZMFWFJFL-UHFFFAOYSA-N 1 1 316.445 4.235 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c(C)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756573 1046888532 /nfs/dbraw/zinc/88/85/32/1046888532.db2.gz NGIDPQRBQXFDCH-UHFFFAOYSA-N 1 1 314.379 4.475 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1Cl ZINC001140812978 1046913475 /nfs/dbraw/zinc/91/34/75/1046913475.db2.gz QSWFQRJRBMCTGA-UHFFFAOYSA-N 1 1 306.812 4.316 20 30 DIEDMO C[C@H](c1ccccc1)[N@H+](Cc1cnco1)Cc1cccc(C#N)c1 ZINC001140934071 1046953824 /nfs/dbraw/zinc/95/38/24/1046953824.db2.gz SDBBOFFXWREUHZ-MRXNPFEDSA-N 1 1 317.392 4.310 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](Cc1cnco1)Cc1cccc(C#N)c1 ZINC001140934071 1046953834 /nfs/dbraw/zinc/95/38/34/1046953834.db2.gz SDBBOFFXWREUHZ-MRXNPFEDSA-N 1 1 317.392 4.310 20 30 DIEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140963719 1046964428 /nfs/dbraw/zinc/96/44/28/1046964428.db2.gz FLBPFNGAYXETAS-CYBMUJFWSA-N 1 1 312.335 4.019 20 30 DIEDMO CCCCCCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001137408536 1046976086 /nfs/dbraw/zinc/97/60/86/1046976086.db2.gz MITLKTSPHQYPHJ-IEBWSBKVSA-N 1 1 316.489 4.126 20 30 DIEDMO CCCCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836939724 1047013466 /nfs/dbraw/zinc/01/34/66/1047013466.db2.gz XWEDKIAWBOWZHK-AYHJJNSGSA-N 1 1 308.510 4.259 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1Cl ZINC001141112963 1047018605 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C=CCCCCC[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000538965791 1047721788 /nfs/dbraw/zinc/72/17/88/1047721788.db2.gz OBZJWQITISXCGG-UHFFFAOYSA-N 1 1 318.490 4.069 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(NCc2ccccc2C#N)nc1 ZINC001156791495 1047723837 /nfs/dbraw/zinc/72/38/37/1047723837.db2.gz UDIQMXRGWMNDRH-LJQANCHMSA-N 1 1 320.440 4.112 20 30 DIEDMO COc1ccc2c(C)cc(NCCc3ccc(C#N)cc3)[nH+]c2c1 ZINC001156837755 1047723928 /nfs/dbraw/zinc/72/39/28/1047723928.db2.gz OTCFGIKGQIYREU-UHFFFAOYSA-N 1 1 317.392 4.078 20 30 DIEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000539223715 1047743172 /nfs/dbraw/zinc/74/31/72/1047743172.db2.gz KNADIAVTQZWDSJ-AWEZNQCLSA-N 1 1 312.388 4.335 20 30 DIEDMO C=CCN(c1ccc([C@@H]2CCCC[N@@H+]2CC)cn1)C(C)(C)C ZINC001157585698 1047746993 /nfs/dbraw/zinc/74/69/93/1047746993.db2.gz PSPJJZMPLBKBNK-KRWDZBQOSA-N 1 1 301.478 4.419 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001158530204 1047788372 /nfs/dbraw/zinc/78/83/72/1047788372.db2.gz 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DIEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C(F)F)c(F)c1 ZINC001183428941 1047928162 /nfs/dbraw/zinc/92/81/62/1047928162.db2.gz NIOAYNABJAIVRC-UHFFFAOYSA-N 1 1 318.342 4.309 20 30 DIEDMO C#CC[N@H+](CCCc1scnc1C)[C@@H]1CCCc2ccccc21 ZINC001198103161 1047928580 /nfs/dbraw/zinc/92/85/80/1047928580.db2.gz DNBKVQVOKCYFQF-LJQANCHMSA-N 1 1 324.493 4.397 20 30 DIEDMO CC(C)COc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC001198195138 1047935823 /nfs/dbraw/zinc/93/58/23/1047935823.db2.gz QKBZFYAPUFTWLL-UHFFFAOYSA-N 1 1 314.454 4.287 20 30 DIEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC001198289700 1047941545 /nfs/dbraw/zinc/94/15/45/1047941545.db2.gz RSXGTSIRBFOTMT-IBGZPJMESA-N 1 1 307.412 4.445 20 30 DIEDMO C=C(C)C[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OCC ZINC001183549833 1047942631 /nfs/dbraw/zinc/94/26/31/1047942631.db2.gz GJZXKMOWMYTNHX-CTWPCTMYSA-N 1 1 315.457 4.200 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1Cl ZINC001198414496 1047953040 /nfs/dbraw/zinc/95/30/40/1047953040.db2.gz 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FC(F)(F)c1ccc(C#CC[N@H+]2CCCC3(CC3)CC2)cc1 ZINC001175044291 1048107535 /nfs/dbraw/zinc/10/75/35/1048107535.db2.gz FDVZHVZLQNCVQA-UHFFFAOYSA-N 1 1 307.359 4.323 20 30 DIEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1ccc(Cl)cn1)C(C)C ZINC000480271254 1048108018 /nfs/dbraw/zinc/10/80/18/1048108018.db2.gz YSBYDAPHYBLRPX-MAUKXSAKSA-N 1 1 321.896 4.084 20 30 DIEDMO Cc1cccc(-c2cccc(C[NH2+]C[C@@H](C#N)CCC#N)c2)c1 ZINC000554487845 1048119167 /nfs/dbraw/zinc/11/91/67/1048119167.db2.gz VEERPJDUUKJFOS-GOSISDBHSA-N 1 1 303.409 4.195 20 30 DIEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC001185037970 1048121705 /nfs/dbraw/zinc/12/17/05/1048121705.db2.gz YTQPKZKMPZJWSA-NVXWUHKLSA-N 1 1 323.415 4.253 20 30 DIEDMO Cc1ccccc1CC(C)(C)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001161451067 1048132513 /nfs/dbraw/zinc/13/25/13/1048132513.db2.gz LKSLRWWNSBOYCG-UHFFFAOYSA-N 1 1 304.397 4.176 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1 ZINC000105498941 1048140256 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DIEDMO Cc1cc(Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)c(C#N)cn1 ZINC001162177680 1048238623 /nfs/dbraw/zinc/23/86/23/1048238623.db2.gz VBZGKOSFGTZRFL-MRXNPFEDSA-N 1 1 320.440 4.380 20 30 DIEDMO CC[C@@H]1C[N@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000555095414 1048271310 /nfs/dbraw/zinc/27/13/10/1048271310.db2.gz YBEMTLDBWIKVBB-RHSMWYFYSA-N 1 1 311.454 4.030 20 30 DIEDMO CC[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CC[C@H]1c1ccccc1 ZINC000555095414 1048271325 /nfs/dbraw/zinc/27/13/25/1048271325.db2.gz YBEMTLDBWIKVBB-RHSMWYFYSA-N 1 1 311.454 4.030 20 30 DIEDMO N#Cc1ccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001201474930 1048293330 /nfs/dbraw/zinc/29/33/30/1048293330.db2.gz NXZCGCFLVXQASV-RTWAWAEBSA-N 1 1 315.420 4.291 20 30 DIEDMO C#Cc1cccc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001201475718 1048296780 /nfs/dbraw/zinc/29/67/80/1048296780.db2.gz YKXSUABWLIGTIE-YADHBBJMSA-N 1 1 314.432 4.401 20 30 DIEDMO C[N@@H+]1CCc2c(C#N)c(Nc3coc4ccccc34)sc2C1 ZINC001203147311 1048305417 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C=C(C)C[N@@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000481290626 1048357180 /nfs/dbraw/zinc/35/71/80/1048357180.db2.gz XADVIZATUJTNGR-HXUWFJFHSA-N 1 1 322.452 4.491 20 30 DIEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000481290626 1048357197 /nfs/dbraw/zinc/35/71/97/1048357197.db2.gz XADVIZATUJTNGR-HXUWFJFHSA-N 1 1 322.452 4.491 20 30 DIEDMO Cc1ccc(SCC[N@H+](C)CCc2cccc(C#N)c2)cc1C ZINC001175533582 1048358886 /nfs/dbraw/zinc/35/88/86/1048358886.db2.gz ZWWWSTQMTMKXFV-UHFFFAOYSA-N 1 1 324.493 4.442 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000481292239 1048360651 /nfs/dbraw/zinc/36/06/51/1048360651.db2.gz YYULGMGUTBUOCU-UHFFFAOYSA-N 1 1 312.200 4.051 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000481292239 1048360662 /nfs/dbraw/zinc/36/06/62/1048360662.db2.gz YYULGMGUTBUOCU-UHFFFAOYSA-N 1 1 312.200 4.051 20 30 DIEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001201814401 1048377106 /nfs/dbraw/zinc/37/71/06/1048377106.db2.gz OUIXWGQHFQCKKU-UXHICEINSA-N 1 1 315.505 4.091 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2Cc2nccs2)C1 ZINC001201776492 1048377749 /nfs/dbraw/zinc/37/77/49/1048377749.db2.gz DQGYZDKZFUNNRK-IAGOWNOFSA-N 1 1 321.534 4.010 20 30 DIEDMO Cc1[nH+]c(N[C@H](C)c2cccc(F)c2Cl)ccc1CC#N ZINC001162894790 1048378835 /nfs/dbraw/zinc/37/88/35/1048378835.db2.gz IIWVGYYYKUNPPG-LLVKDONJSA-N 1 1 303.768 4.422 20 30 DIEDMO CCCCCCCC[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001201826164 1048383473 /nfs/dbraw/zinc/38/34/73/1048383473.db2.gz OTFGQCWIFCTLBE-UHFFFAOYSA-N 1 1 321.509 4.374 20 30 DIEDMO C=CC[C@@H](Nc1ccc(C[N@H+](C)C2CC2)cn1)c1ccccc1 ZINC001162908765 1048385507 /nfs/dbraw/zinc/38/55/07/1048385507.db2.gz FDVRYQDXYDENNY-LJQANCHMSA-N 1 1 307.441 4.405 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201839392 1048387111 /nfs/dbraw/zinc/38/71/11/1048387111.db2.gz MQPDWXRIDFUWBL-LSDHHAIUSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001201846743 1048387490 /nfs/dbraw/zinc/38/74/90/1048387490.db2.gz KTAMUYFUFKPOAR-LJQANCHMSA-N 1 1 308.510 4.214 20 30 DIEDMO CCCCCCCCC[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001201847352 1048389955 /nfs/dbraw/zinc/38/99/55/1048389955.db2.gz VFZREFIDOIBYJI-HXUWFJFHSA-N 1 1 324.553 4.312 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000600213964 1048390447 /nfs/dbraw/zinc/39/04/47/1048390447.db2.gz JIZWJEIIWOMUKX-GOSISDBHSA-N 1 1 320.436 4.183 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCCc2cccnc21 ZINC000481430505 1048401009 /nfs/dbraw/zinc/40/10/09/1048401009.db2.gz AAZNOSYHCFJTJI-IBGZPJMESA-N 1 1 323.415 4.382 20 30 DIEDMO C=C(C)[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(F)c(F)c1 ZINC000481573917 1048432032 /nfs/dbraw/zinc/43/20/32/1048432032.db2.gz UUILOSFRWBWAMB-CRAIPNDOSA-N 1 1 308.416 4.046 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1(C)C ZINC001175871008 1048487393 /nfs/dbraw/zinc/48/73/93/1048487393.db2.gz HOMCWXUNRISANV-SJORKVTESA-N 1 1 307.865 4.235 20 30 DIEDMO CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CC1(C#N)CC1 ZINC000481846959 1048503608 /nfs/dbraw/zinc/50/36/08/1048503608.db2.gz ULTSDHANOYKHEH-AWEZNQCLSA-N 1 1 321.262 4.006 20 30 DIEDMO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775203833 1048559344 /nfs/dbraw/zinc/55/93/44/1048559344.db2.gz IHPLDABZOATOSH-ROUUACIJSA-N 1 1 322.452 4.349 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC(=O)C(C)(C)C)cc1 ZINC001164007682 1048570427 /nfs/dbraw/zinc/57/04/27/1048570427.db2.gz JLBTZHYQEOENRN-KRWDZBQOSA-N 1 1 300.446 4.037 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000042364965 1048592828 /nfs/dbraw/zinc/59/28/28/1048592828.db2.gz MGWIGINDJKSHJQ-UHFFFAOYSA-N 1 1 304.315 4.209 20 30 DIEDMO N#C[C@@H](S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC001189583337 1048643152 /nfs/dbraw/zinc/64/31/52/1048643152.db2.gz OBNLLONXTMOPCM-RTBURBONSA-N 1 1 314.498 4.467 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001176364374 1048660276 /nfs/dbraw/zinc/66/02/76/1048660276.db2.gz CDXAHZWNVZACRD-OXQOHEQNSA-N 1 1 320.436 4.335 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001176364377 1048660478 /nfs/dbraw/zinc/66/04/78/1048660478.db2.gz CDXAHZWNVZACRD-UZLBHIALSA-N 1 1 320.436 4.335 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001176364369 1048660823 /nfs/dbraw/zinc/66/08/23/1048660823.db2.gz CDXAHZWNVZACRD-OXJNMPFZSA-N 1 1 320.436 4.335 20 30 DIEDMO Cc1[nH+]c(N2CCC3(C=Cc4ccccc43)CC2)ccc1CC#N ZINC001165336905 1048684893 /nfs/dbraw/zinc/68/48/93/1048684893.db2.gz FNNDNZJLRMVFRT-UHFFFAOYSA-N 1 1 315.420 4.021 20 30 DIEDMO Cc1ccc(CC#N)c(N2CCC3(C=Cc4ccccc43)CC2)[nH+]1 ZINC001165337488 1048685190 /nfs/dbraw/zinc/68/51/90/1048685190.db2.gz PEWOVJJTSXFUPK-UHFFFAOYSA-N 1 1 315.420 4.021 20 30 DIEDMO C#CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCCc2ccccc21 ZINC001176451875 1048688116 /nfs/dbraw/zinc/68/81/16/1048688116.db2.gz GHOKDGALJHQRMN-OAQYLSRUSA-N 1 1 305.421 4.208 20 30 DIEDMO C#CC[N@H+](C[C@H]1CCC(F)(F)C1)[C@@H]1CCCc2ccccc21 ZINC001176453384 1048688283 /nfs/dbraw/zinc/68/82/83/1048688283.db2.gz SVOOQABZCIGARD-MAUKXSAKSA-N 1 1 303.396 4.435 20 30 DIEDMO Cc1ccccc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000160519898 1048704446 /nfs/dbraw/zinc/70/44/46/1048704446.db2.gz UXZIWUOMQPAKIW-UHFFFAOYSA-N 1 1 308.425 4.310 20 30 DIEDMO CCC(CC)C[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC001190326053 1048718918 /nfs/dbraw/zinc/71/89/18/1048718918.db2.gz YVFCBICZZJYYMP-UHFFFAOYSA-N 1 1 310.388 4.418 20 30 DIEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3Cl)sc2C1 ZINC001176551490 1048724001 /nfs/dbraw/zinc/72/40/01/1048724001.db2.gz RSEOQSMQSGUIBZ-UHFFFAOYSA-N 1 1 303.818 4.005 20 30 DIEDMO CC[C@H](c1ccc(F)cc1F)[N@H+](C)Cc1cc(C#N)cs1 ZINC001176555195 1048725345 /nfs/dbraw/zinc/72/53/45/1048725345.db2.gz IOIAYSDHNXDQOT-MRXNPFEDSA-N 1 1 306.381 4.481 20 30 DIEDMO CC[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1cc(C#N)cs1 ZINC001176555195 1048725356 /nfs/dbraw/zinc/72/53/56/1048725356.db2.gz IOIAYSDHNXDQOT-MRXNPFEDSA-N 1 1 306.381 4.481 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)ccc1F ZINC001190392997 1048726222 /nfs/dbraw/zinc/72/62/22/1048726222.db2.gz WYSBLNPQHBDELW-LJQANCHMSA-N 1 1 308.400 4.295 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CCc2ccccc2)ccc1F ZINC001190392996 1048727516 /nfs/dbraw/zinc/72/75/16/1048727516.db2.gz WYSBLNPQHBDELW-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(Cl)c1 ZINC000483098972 1048734824 /nfs/dbraw/zinc/73/48/24/1048734824.db2.gz DTQVLPFXJLOSAC-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[N@@H+](Cc1c(C)cc(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC001190476136 1048738928 /nfs/dbraw/zinc/73/89/28/1048738928.db2.gz OIASOXXWIVDVPM-QGZVFWFLSA-N 1 1 307.441 4.462 20 30 DIEDMO CC[C@H]1CCCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001190503789 1048746686 /nfs/dbraw/zinc/74/66/86/1048746686.db2.gz XWWKXTYEMAZCRE-HNNXBMFYSA-N 1 1 311.347 4.201 20 30 DIEDMO CCCCCCCCC[N@@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC001190494522 1048750826 /nfs/dbraw/zinc/75/08/26/1048750826.db2.gz ODJIUSMZLSTDII-RCCFBDPRSA-N 1 1 308.510 4.116 20 30 DIEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483279728 1048769500 /nfs/dbraw/zinc/76/95/00/1048769500.db2.gz IFTLTACKAPJGAJ-ZIAGYGMSSA-N 1 1 315.848 4.174 20 30 DIEDMO C#CC[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1ccccc1 ZINC000775403369 1048775734 /nfs/dbraw/zinc/77/57/34/1048775734.db2.gz HCYMDGGRTLXTAK-GOSISDBHSA-N 1 1 308.425 4.113 20 30 DIEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)cc1C#N ZINC000483357185 1048784349 /nfs/dbraw/zinc/78/43/49/1048784349.db2.gz PBXSUUMRZJSJEH-PWRODBHTSA-N 1 1 319.452 4.055 20 30 DIEDMO N#Cc1ccc(CC2CCN(c3cc(C4CC4)cc[nH+]3)CC2)cc1 ZINC001166767258 1048790566 /nfs/dbraw/zinc/79/05/66/1048790566.db2.gz VBCLHCBDDNJYDX-UHFFFAOYSA-N 1 1 317.436 4.290 20 30 DIEDMO C=CCCC[N@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001190855991 1048795297 /nfs/dbraw/zinc/79/52/97/1048795297.db2.gz WYAXNIVESVKCJQ-FQEVSTJZSA-N 1 1 300.490 4.329 20 30 DIEDMO CCS[C@@H]1CCCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001190935631 1048802092 /nfs/dbraw/zinc/80/20/92/1048802092.db2.gz SQVRDRMMOJYENS-MRXNPFEDSA-N 1 1 308.878 4.319 20 30 DIEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001190935631 1048802110 /nfs/dbraw/zinc/80/21/10/1048802110.db2.gz SQVRDRMMOJYENS-MRXNPFEDSA-N 1 1 308.878 4.319 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1F ZINC000483517317 1048811307 /nfs/dbraw/zinc/81/13/07/1048811307.db2.gz SDQJHXODHWTPRT-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1F ZINC000483517317 1048811319 /nfs/dbraw/zinc/81/13/19/1048811319.db2.gz SDQJHXODHWTPRT-UHFFFAOYSA-N 1 1 310.347 4.126 20 30 DIEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CCCCC1 ZINC001190984677 1048813965 /nfs/dbraw/zinc/81/39/65/1048813965.db2.gz KWOMMLZXYNSOPI-PKOBYXMFSA-N 1 1 320.521 4.092 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2c1 ZINC001167024456 1048832711 /nfs/dbraw/zinc/83/27/11/1048832711.db2.gz XVHUPODRRMAYNN-UHFFFAOYSA-N 1 1 303.409 4.452 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(SC(F)(F)F)c2)C1 ZINC000852319904 1048834905 /nfs/dbraw/zinc/83/49/05/1048834905.db2.gz TTXQCZARYBOJMO-LBPRGKRZSA-N 1 1 314.376 4.424 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC/C=C/c2ccccc2)C1 ZINC000852333957 1048837414 /nfs/dbraw/zinc/83/74/14/1048837414.db2.gz ZKRZYFMURJHPGJ-JVNGFTGRSA-N 1 1 317.436 4.042 20 30 DIEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC000852333957 1048837430 /nfs/dbraw/zinc/83/74/30/1048837430.db2.gz ZKRZYFMURJHPGJ-JVNGFTGRSA-N 1 1 317.436 4.042 20 30 DIEDMO Cc1cc(C)c(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852329080 1048838065 /nfs/dbraw/zinc/83/80/65/1048838065.db2.gz SPDVKMUJXDMOPS-NRFANRHFSA-N 1 1 319.452 4.064 20 30 DIEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c(C)c1 ZINC000852329080 1048838089 /nfs/dbraw/zinc/83/80/89/1048838089.db2.gz SPDVKMUJXDMOPS-NRFANRHFSA-N 1 1 319.452 4.064 20 30 DIEDMO N#C[C@]1(c2ccccn2)CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000852329290 1048838147 /nfs/dbraw/zinc/83/81/47/1048838147.db2.gz XRHKRNWTMGXYJL-TZIWHRDSSA-N 1 1 317.436 4.016 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330562 1048838644 /nfs/dbraw/zinc/83/86/44/1048838644.db2.gz RAUMOHTXPCRSLH-FXAWDEMLSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330562 1048838658 /nfs/dbraw/zinc/83/86/58/1048838658.db2.gz RAUMOHTXPCRSLH-FXAWDEMLSA-N 1 1 305.425 4.008 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727223 1048852870 /nfs/dbraw/zinc/85/28/70/1048852870.db2.gz MUOZRGQNUKRCPM-VLIAUNLRSA-N 1 1 324.399 4.289 20 30 DIEDMO Cc1cccc([C@H]2CCCCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001191132284 1048875458 /nfs/dbraw/zinc/87/54/58/1048875458.db2.gz JOAUZQWGTPDNDZ-HXUWFJFHSA-N 1 1 305.425 4.379 20 30 DIEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C#N)c(F)c1 ZINC000483949955 1048887228 /nfs/dbraw/zinc/88/72/28/1048887228.db2.gz UCTNKFQFXDBWCC-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1(C)C ZINC001191214097 1048888362 /nfs/dbraw/zinc/88/83/62/1048888362.db2.gz MLGNEQJJTIHNDF-YLJYHZDGSA-N 1 1 314.473 4.123 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](C)Cc1ccsc1 ZINC000484010477 1048889762 /nfs/dbraw/zinc/88/97/62/1048889762.db2.gz BRKJLUZMWHHHMO-CYBMUJFWSA-N 1 1 302.418 4.212 20 30 DIEDMO C[C@@H]1[C@H](c2ccccc2)c2ccccc2CC[N@H+]1CCCC#N ZINC000484092817 1048899623 /nfs/dbraw/zinc/89/96/23/1048899623.db2.gz LOFDXDATXZKCRX-DYESRHJHSA-N 1 1 304.437 4.369 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@@H]1c1ccccc1 ZINC001191223198 1048902253 /nfs/dbraw/zinc/90/22/53/1048902253.db2.gz MUUWERQHCULFPC-UTKZUKDTSA-N 1 1 304.437 4.378 20 30 DIEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)cc1C#N ZINC001191223462 1048902825 /nfs/dbraw/zinc/90/28/25/1048902825.db2.gz OIDICCHEDWUZCM-DYESRHJHSA-N 1 1 304.437 4.492 20 30 DIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001191231070 1048905370 /nfs/dbraw/zinc/90/53/70/1048905370.db2.gz BSTIWMSUBGVNSQ-UHFFFAOYSA-N 1 1 310.416 4.415 20 30 DIEDMO CCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1O ZINC001191278617 1048913809 /nfs/dbraw/zinc/91/38/09/1048913809.db2.gz SPMLEJGAGHEUJE-UHFFFAOYSA-N 1 1 313.828 4.309 20 30 DIEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000484336219 1048927177 /nfs/dbraw/zinc/92/71/77/1048927177.db2.gz JLIJXVYUAPOPHJ-HNNXBMFYSA-N 1 1 313.338 4.088 20 30 DIEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000484336219 1048927190 /nfs/dbraw/zinc/92/71/90/1048927190.db2.gz JLIJXVYUAPOPHJ-HNNXBMFYSA-N 1 1 313.338 4.088 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000484358238 1048927831 /nfs/dbraw/zinc/92/78/31/1048927831.db2.gz ZMRYWPCIKZPHAP-IERDGZPVSA-N 1 1 320.436 4.255 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccc(C#N)cc3)CCO2)cc1 ZINC000484358238 1048927840 /nfs/dbraw/zinc/92/78/40/1048927840.db2.gz ZMRYWPCIKZPHAP-IERDGZPVSA-N 1 1 320.436 4.255 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355637 1048929021 /nfs/dbraw/zinc/92/90/21/1048929021.db2.gz LLIBEFMFHAGUJK-KKSFZXQISA-N 1 1 320.436 4.255 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+]([C@@H](C)c3cccc(C#N)c3)CCO2)cc1 ZINC000484355637 1048929036 /nfs/dbraw/zinc/92/90/36/1048929036.db2.gz LLIBEFMFHAGUJK-KKSFZXQISA-N 1 1 320.436 4.255 20 30 DIEDMO C=CCC(C)(C)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000484365527 1048930378 /nfs/dbraw/zinc/93/03/78/1048930378.db2.gz VJAIFRDNLZTYGK-UHFFFAOYSA-N 1 1 300.446 4.199 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC001191367615 1048935124 /nfs/dbraw/zinc/93/51/24/1048935124.db2.gz RLMYHTBPLMRBPO-HOTGVXAUSA-N 1 1 306.862 4.072 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC001191367616 1048935594 /nfs/dbraw/zinc/93/55/94/1048935594.db2.gz RLMYHTBPLMRBPO-HZPDHXFCSA-N 1 1 306.862 4.072 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC001191367023 1048935682 /nfs/dbraw/zinc/93/56/82/1048935682.db2.gz KNXLUXDFRGPTTP-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccc(F)cc1Cl ZINC001191367023 1048935690 /nfs/dbraw/zinc/93/56/90/1048935690.db2.gz KNXLUXDFRGPTTP-UHFFFAOYSA-N 1 1 312.816 4.120 20 30 DIEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC001191367614 1048936080 /nfs/dbraw/zinc/93/60/80/1048936080.db2.gz RLMYHTBPLMRBPO-CVEARBPZSA-N 1 1 306.862 4.072 20 30 DIEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001191477586 1048950030 /nfs/dbraw/zinc/95/00/30/1048950030.db2.gz ZBSRKFUWWCYWBR-PXNSSMCTSA-N 1 1 307.412 4.130 20 30 DIEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001191485462 1048951711 /nfs/dbraw/zinc/95/17/11/1048951711.db2.gz HOYXPDYRWBVEQO-KBPBESRZSA-N 1 1 313.832 4.231 20 30 DIEDMO COc1ccc(O)c(C[N@@H+](CCC#N)C2CCCCCCC2)c1 ZINC001203674987 1048959858 /nfs/dbraw/zinc/95/98/58/1048959858.db2.gz 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318.420 4.053 20 30 DIEDMO CCCCCCCCCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000761146829 1050677215 /nfs/dbraw/zinc/67/72/15/1050677215.db2.gz QIMXSBQVBBRQCX-UHFFFAOYSA-N 1 1 308.510 4.214 20 30 DIEDMO Cc1cc(N=NC2CC[N@@H+](C)[C@@H](C)C2)nc2ccc(Cl)cc12 ZINC000741456272 1050687050 /nfs/dbraw/zinc/68/70/50/1050687050.db2.gz QZYVPLZRYJFTSI-LBPRGKRZSA-N 1 1 316.836 4.079 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1O ZINC000788517850 1050697135 /nfs/dbraw/zinc/69/71/35/1050697135.db2.gz FXIZUVWBDCQUGE-NSHDSACASA-N 1 1 320.314 4.133 20 30 DIEDMO C[C@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1ccc(C#N)cc1 ZINC000788563310 1050703411 /nfs/dbraw/zinc/70/34/11/1050703411.db2.gz MSUMFRXAJKXZQO-SJCJKPOMSA-N 1 1 312.800 4.134 20 30 DIEDMO C[C@@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1ccc(C#N)cc1 ZINC000788563307 1050704324 /nfs/dbraw/zinc/70/43/24/1050704324.db2.gz MSUMFRXAJKXZQO-PXAZEXFGSA-N 1 1 312.800 4.134 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220544 1050706051 /nfs/dbraw/zinc/70/60/51/1050706051.db2.gz BVKQHYRDUKIALB-HRAATJIYSA-N 1 1 320.436 4.335 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2[C@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220545 1050707796 /nfs/dbraw/zinc/70/77/96/1050707796.db2.gz BVKQHYRDUKIALB-IERDGZPVSA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001171220704 1050711201 /nfs/dbraw/zinc/71/12/01/1050711201.db2.gz DQRBMRFXAKRSJT-LAUBAEHRSA-N 1 1 320.436 4.033 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001171221214 1050711758 /nfs/dbraw/zinc/71/17/58/1050711758.db2.gz JCXQJOBDGYVKSP-LAUBAEHRSA-N 1 1 304.437 4.054 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cc1 ZINC001171220742 1050712068 /nfs/dbraw/zinc/71/20/68/1050712068.db2.gz BNZFYXNDSYCCFM-JKSUJKDBSA-N 1 1 308.425 4.191 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc2cccnc21 ZINC001171221438 1050712426 /nfs/dbraw/zinc/71/24/26/1050712426.db2.gz NIULGDJQZJFPRQ-MRXNPFEDSA-N 1 1 315.420 4.169 20 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/nfs/dbraw/zinc/72/37/88/1050723788.db2.gz FCVKZXJKZLDGDP-UZLBHIALSA-N 1 1 305.425 4.030 20 30 DIEDMO COc1cccc(CCC[N@@H+](C)[C@@H](C)Cc2cccc(C#N)c2)c1 ZINC001171229433 1050724689 /nfs/dbraw/zinc/72/46/89/1050724689.db2.gz NKAPOEVWUKZJJM-KRWDZBQOSA-N 1 1 322.452 4.062 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001171229375 1050726013 /nfs/dbraw/zinc/72/60/13/1050726013.db2.gz MXOHNTSNUKNLSI-LZQZEXGQSA-N 1 1 302.421 4.076 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccccc1C ZINC000741774730 1050739116 /nfs/dbraw/zinc/73/91/16/1050739116.db2.gz ZYKYZHXHEUMACN-MRXNPFEDSA-N 1 1 321.873 4.432 20 30 DIEDMO N#Cc1c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cccc1C(F)F ZINC000596570013 1050745920 /nfs/dbraw/zinc/74/59/20/1050745920.db2.gz GOBBRZCYMAIRGS-AWEZNQCLSA-N 1 1 319.399 4.030 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(F)c1 ZINC000846772944 1050754125 /nfs/dbraw/zinc/75/41/25/1050754125.db2.gz VMCGVNOZVBQYAF-UHFFFAOYSA-N 1 1 317.795 4.158 20 30 DIEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597088523 1050807188 /nfs/dbraw/zinc/80/71/88/1050807188.db2.gz OZVXAYGDGGJOPY-BBRMVZONSA-N 1 1 322.374 4.405 20 30 DIEDMO CC1(C)C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccnc1 ZINC000597131189 1050812440 /nfs/dbraw/zinc/81/24/40/1050812440.db2.gz XLXJFGRYOULQMP-IBGZPJMESA-N 1 1 317.436 4.220 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1c1cccnc1 ZINC000597131189 1050812448 /nfs/dbraw/zinc/81/24/48/1050812448.db2.gz XLXJFGRYOULQMP-IBGZPJMESA-N 1 1 317.436 4.220 20 30 DIEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(C)ccc3ccccc32)n1 ZINC000789333011 1050817571 /nfs/dbraw/zinc/81/75/71/1050817571.db2.gz ZSXYSDDQEOIYOP-UHFFFAOYSA-N 1 1 317.436 4.000 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](C)c1ccc(C#N)cc1 ZINC000060477358 1050818635 /nfs/dbraw/zinc/81/86/35/1050818635.db2.gz QCZQNGHZTALVBP-AWEZNQCLSA-N 1 1 307.372 4.152 20 30 DIEDMO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1C#N ZINC000742368266 1050821820 /nfs/dbraw/zinc/82/18/20/1050821820.db2.gz BNAVDKVHNKNXRA-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO COc1ccc(-c2ccccc2C)cc1C[NH+]1CC(CC#N)C1 ZINC000597204472 1050826120 /nfs/dbraw/zinc/82/61/20/1050826120.db2.gz WRQTWZTULWRTFU-UHFFFAOYSA-N 1 1 306.409 4.016 20 30 DIEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789554431 1050849702 /nfs/dbraw/zinc/84/97/02/1050849702.db2.gz HWSNVULYPOTECV-GOSISDBHSA-N 1 1 311.404 4.156 20 30 DIEDMO C=CC[N@@H+](Cc1nccn1CC(F)(F)F)CC1CCCCC1 ZINC000601755522 1050851192 /nfs/dbraw/zinc/85/11/92/1050851192.db2.gz NKOQFGQWRTVDKK-UHFFFAOYSA-N 1 1 315.383 4.014 20 30 DIEDMO C=CC[N@H+](Cc1nccn1CC(F)(F)F)CC1CCCCC1 ZINC000601755522 1050851216 /nfs/dbraw/zinc/85/12/16/1050851216.db2.gz NKOQFGQWRTVDKK-UHFFFAOYSA-N 1 1 315.383 4.014 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC001203478870 1050912205 /nfs/dbraw/zinc/91/22/05/1050912205.db2.gz LUTOLYXJVMOOSL-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO Cc1cc(C)n(-c2ccc(C[N@H+](CCC#N)CC(C)(C)C)cc2)n1 ZINC000348124680 1050991998 /nfs/dbraw/zinc/99/19/98/1050991998.db2.gz NJTJMIFCXSEIOX-UHFFFAOYSA-N 1 1 324.472 4.251 20 30 DIEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc2)n1 ZINC000348124680 1050992011 /nfs/dbraw/zinc/99/20/11/1050992011.db2.gz NJTJMIFCXSEIOX-UHFFFAOYSA-N 1 1 324.472 4.251 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(Br)c1 ZINC000348170767 1050997512 /nfs/dbraw/zinc/99/75/12/1050997512.db2.gz SJZVJQVBNRRPEW-UHFFFAOYSA-N 1 1 319.246 4.087 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(Cl)c1 ZINC000743261190 1051008490 /nfs/dbraw/zinc/00/84/90/1051008490.db2.gz KRCWVGHCKNRSIT-SFHVURJKSA-N 1 1 301.817 4.062 20 30 DIEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000773006513 1051016953 /nfs/dbraw/zinc/01/69/53/1051016953.db2.gz ZCROVTVQWBWACT-AWEZNQCLSA-N 1 1 303.837 4.201 20 30 DIEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCOc2ccccc2C#N)C1 ZINC001170147609 1051022237 /nfs/dbraw/zinc/02/22/37/1051022237.db2.gz ABGGWULDPXQWDH-XLIONFOSSA-N 1 1 320.436 4.410 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1cc(C)cn2cc[nH+]c12 ZINC001171373472 1051035686 /nfs/dbraw/zinc/03/56/86/1051035686.db2.gz INEINAYHJHABKL-HNNXBMFYSA-N 1 1 307.397 4.381 20 30 DIEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc(C)cn2cc[nH+]c12 ZINC001171373474 1051035878 /nfs/dbraw/zinc/03/58/78/1051035878.db2.gz INEINAYHJHABKL-OAHLLOKOSA-N 1 1 307.397 4.381 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000743856467 1051078519 /nfs/dbraw/zinc/07/85/19/1051078519.db2.gz CIGOAZXULGBRJG-FQEVSTJZSA-N 1 1 322.452 4.351 20 30 DIEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2ccc(OCC#N)cc2)o1 ZINC000743872201 1051086609 /nfs/dbraw/zinc/08/66/09/1051086609.db2.gz QRSIZXCIHXJROS-BEFAXECRSA-N 1 1 324.424 4.464 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876394 1051087945 /nfs/dbraw/zinc/08/79/45/1051087945.db2.gz ZNCPVVFKAYXWFD-MAUKXSAKSA-N 1 1 310.397 4.155 20 30 DIEDMO CCCC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@H](C)CC 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C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC001171571779 1051170366 /nfs/dbraw/zinc/17/03/66/1051170366.db2.gz BLQKJDFSCOZPAQ-ZDUSSCGKSA-N 1 1 316.857 4.309 20 30 DIEDMO CC[C@@H](NC1CC(C)(C)[NH+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC001171624298 1051180061 /nfs/dbraw/zinc/18/00/61/1051180061.db2.gz OMRIKYNWUDXJKF-GOSISDBHSA-N 1 1 313.489 4.250 20 30 DIEDMO C[C@H]1c2cccn2CC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396083 1051197229 /nfs/dbraw/zinc/19/72/29/1051197229.db2.gz VBCKOQPIHRHGPY-OCDPCBSRSA-N 1 1 319.452 4.269 20 30 DIEDMO C[C@H]1c2cccn2CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170396083 1051197242 /nfs/dbraw/zinc/19/72/42/1051197242.db2.gz VBCKOQPIHRHGPY-OCDPCBSRSA-N 1 1 319.452 4.269 20 30 DIEDMO CCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000744748124 1051197604 /nfs/dbraw/zinc/19/76/04/1051197604.db2.gz CUWZKBFOPOXARX-MSOLQXFVSA-N 1 1 308.510 4.211 20 30 DIEDMO C[C@@]1(F)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1F ZINC001170379167 1051199262 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4.166 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001171847046 1051230634 /nfs/dbraw/zinc/23/06/34/1051230634.db2.gz HKUYURVOHVKFCI-UTKZUKDTSA-N 1 1 309.453 4.031 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC001171841326 1051231475 /nfs/dbraw/zinc/23/14/75/1051231475.db2.gz MVSPNQLVVYGMHY-ZDUSSCGKSA-N 1 1 318.367 4.408 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CCc2ccccc21 ZINC001171905934 1051236650 /nfs/dbraw/zinc/23/66/50/1051236650.db2.gz DKMZLDVGBJZRLC-UHFFFAOYSA-N 1 1 304.437 4.089 20 30 DIEDMO C[C@H](NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(C)(C)C ZINC000793112867 1051247702 /nfs/dbraw/zinc/24/77/02/1051247702.db2.gz XZGFIFYWLWPZMG-UCFFOFKASA-N 1 1 315.505 4.441 20 30 DIEDMO CC(=[NH+]NCc1c(Cl)cccc1Cl)c1ccc(N)cc1 ZINC000793116357 1051250937 /nfs/dbraw/zinc/25/09/37/1051250937.db2.gz BHZSVGVHCFSLFU-UHFFFAOYSA-N 1 1 308.212 4.089 20 30 DIEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001171973633 1051262977 /nfs/dbraw/zinc/26/29/77/1051262977.db2.gz LVGBQFAORDBXIO-ZFWWWQNUSA-N 1 1 310.363 4.262 20 30 DIEDMO CCC(C#N)(CC)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171978733 1051269324 /nfs/dbraw/zinc/26/93/24/1051269324.db2.gz LHTYEBQMUVYBLU-SFHVURJKSA-N 1 1 313.489 4.102 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1 ZINC000793369109 1051290850 /nfs/dbraw/zinc/29/08/50/1051290850.db2.gz CIQKGVQMGKTURL-NVXWUHKLSA-N 1 1 300.446 4.236 20 30 DIEDMO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@H]1C ZINC001172359176 1051373224 /nfs/dbraw/zinc/37/32/24/1051373224.db2.gz JDONXYYKVUKZHO-HLTSFMKQSA-N 1 1 309.269 4.234 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC001172307267 1051333609 /nfs/dbraw/zinc/33/36/09/1051333609.db2.gz NMKVMXLXTVDWOG-MGPUTAFESA-N 1 1 308.400 4.465 20 30 DIEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(Cl)c1Cl ZINC000746196362 1051334721 /nfs/dbraw/zinc/33/47/21/1051334721.db2.gz LLTGHRUFDDDIQY-UHFFFAOYSA-N 1 1 320.219 4.295 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001172311192 1051334973 /nfs/dbraw/zinc/33/49/73/1051334973.db2.gz QPKPCGJGMUCQIO-MRXNPFEDSA-N 1 1 304.437 4.283 20 30 DIEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310736 1051335424 /nfs/dbraw/zinc/33/54/24/1051335424.db2.gz IZVLXGBELGRICH-MRXNPFEDSA-N 1 1 308.425 4.020 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001172311685 1051337876 /nfs/dbraw/zinc/33/78/76/1051337876.db2.gz VXKMJEXHOLEJHX-KRWDZBQOSA-N 1 1 306.453 4.442 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001172319559 1051339426 /nfs/dbraw/zinc/33/94/26/1051339426.db2.gz OQWGMHNYNCFVGA-KXBFYZLASA-N 1 1 308.400 4.118 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001172318793 1051339585 /nfs/dbraw/zinc/33/95/85/1051339585.db2.gz IUHWWACXZODTSQ-KXBFYZLASA-N 1 1 308.400 4.118 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172353909 1051369623 /nfs/dbraw/zinc/36/96/23/1051369623.db2.gz BXNXVCIDTFZWCD-ZWKOTPCHSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCN(c2ncccn2)CC1 ZINC001172353746 1051369813 /nfs/dbraw/zinc/36/98/13/1051369813.db2.gz BCLLGRHKJYDLCC-GOSISDBHSA-N 1 1 318.509 4.128 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](CCOC)C1CCN(C)CC1 ZINC001172356763 1051371785 /nfs/dbraw/zinc/37/17/85/1051371785.db2.gz YBLPPHPMPAZQQZ-GOSISDBHSA-N 1 1 312.542 4.168 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172357651 1051372152 /nfs/dbraw/zinc/37/21/52/1051372152.db2.gz LKDBKRASJWCEJL-QZTJIDSGSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001172357651 1051372159 /nfs/dbraw/zinc/37/21/59/1051372159.db2.gz LKDBKRASJWCEJL-QZTJIDSGSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001172356518 1051372288 /nfs/dbraw/zinc/37/22/88/1051372288.db2.gz WKWUZYKTPWVMLN-IRXDYDNUSA-N 1 1 321.509 4.105 20 30 DIEDMO C[C@@H]1CC[C@H]([NH2+]CC(F)(F)C(F)(F)C(F)(F)F)C[C@@H]1C ZINC001172359187 1051372351 /nfs/dbraw/zinc/37/23/51/1051372351.db2.gz JDONXYYKVUKZHO-VGMNWLOBSA-N 1 1 309.269 4.234 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001172356383 1051372401 /nfs/dbraw/zinc/37/24/01/1051372401.db2.gz WDCGYGQKIIBMNH-XHSDSOJGSA-N 1 1 303.437 4.339 20 30 DIEDMO N#Cc1c(F)cccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000794375475 1051373685 /nfs/dbraw/zinc/37/36/85/1051373685.db2.gz LKRWDBSUIMYSLL-UHFFFAOYSA-N 1 1 324.399 4.348 20 30 DIEDMO CC(C)OCC[C@@H](C)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172458164 1051411991 /nfs/dbraw/zinc/41/19/91/1051411991.db2.gz ZLMQWLWZGZFAGO-OAHLLOKOSA-N 1 1 308.853 4.259 20 30 DIEDMO CC(C)OCC[C@@H](C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001172458164 1051411998 /nfs/dbraw/zinc/41/19/98/1051411998.db2.gz ZLMQWLWZGZFAGO-OAHLLOKOSA-N 1 1 308.853 4.259 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001172495040 1051418631 /nfs/dbraw/zinc/41/86/31/1051418631.db2.gz MCPJZQDVKZFACK-RLLQIKCJSA-N 1 1 312.457 4.107 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2c(Br)cccc2C[C@@H]1C ZINC001172500835 1051420235 /nfs/dbraw/zinc/42/02/35/1051420235.db2.gz AXDZNRDMQHAPTC-STQMWFEESA-N 1 1 321.262 4.278 20 30 DIEDMO CC[N@@H+](Cc1cccc(Br)c1)[C@H](C)CCCC#N ZINC001172499090 1051420380 /nfs/dbraw/zinc/42/03/80/1051420380.db2.gz AOZAIJVKFGFETM-CYBMUJFWSA-N 1 1 309.251 4.353 20 30 DIEDMO CCCCCCCC[C@@H](CC)[NH2+]CC1CCN(C2COC2)CC1 ZINC001172501550 1051420481 /nfs/dbraw/zinc/42/04/81/1051420481.db2.gz DBHTWIGEXBGQME-LJQANCHMSA-N 1 1 324.553 4.216 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2c(Br)cccc2C[C@H]1C ZINC001172500834 1051420619 /nfs/dbraw/zinc/42/06/19/1051420619.db2.gz AXDZNRDMQHAPTC-QWHCGFSZSA-N 1 1 321.262 4.278 20 30 DIEDMO COc1ccc(C[C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)cc1 ZINC001172498679 1051420652 /nfs/dbraw/zinc/42/06/52/1051420652.db2.gz PUINRLUTJUORGW-WMZOPIPTSA-N 1 1 300.446 4.032 20 30 DIEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172501774 1051420824 /nfs/dbraw/zinc/42/08/24/1051420824.db2.gz JZCPYQZRZYQJBD-FHWLQOOXSA-N 1 1 322.537 4.458 20 30 DIEDMO CC[N@@H+](Cc1ccc(Br)cc1)[C@@H](C)CCCC#N ZINC001172501771 1051420886 /nfs/dbraw/zinc/42/08/86/1051420886.db2.gz RPXGWFUPRFHFLM-ZDUSSCGKSA-N 1 1 309.251 4.353 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](OCc2ccc(Cl)cc2)C1 ZINC001172503601 1051423108 /nfs/dbraw/zinc/42/31/08/1051423108.db2.gz AZJCKSFDVQNIOX-YJBOKZPZSA-N 1 1 320.864 4.403 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001172508389 1051424930 /nfs/dbraw/zinc/42/49/30/1051424930.db2.gz CKOAZUGTAJMKIU-MRXNPFEDSA-N 1 1 302.487 4.467 20 30 DIEDMO C[C@@H](CCCC#N)[N@H+]1Cc2ccc(Br)cc2C[C@H]1C ZINC001172506379 1051425377 /nfs/dbraw/zinc/42/53/77/1051425377.db2.gz SGPBFLVJDQVVRJ-QWHCGFSZSA-N 1 1 321.262 4.278 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001172511768 1051428786 /nfs/dbraw/zinc/42/87/86/1051428786.db2.gz WPHWXKGBOHEGEY-IRXDYDNUSA-N 1 1 317.539 4.025 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2NC(C)(C)c1ccc(C)cc1 ZINC001168799554 1051440105 /nfs/dbraw/zinc/44/01/05/1051440105.db2.gz CIHMQMLPTNTRPR-UHFFFAOYSA-N 1 1 306.413 4.273 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001168849384 1051455903 /nfs/dbraw/zinc/45/59/03/1051455903.db2.gz ZJXDFXPERPFJPJ-SFHVURJKSA-N 1 1 305.510 4.425 20 30 DIEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616050 1051461447 /nfs/dbraw/zinc/46/14/47/1051461447.db2.gz KETXKXSDENQDRB-WMZOPIPTSA-N 1 1 320.477 4.047 20 30 DIEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172715306 1051497468 /nfs/dbraw/zinc/49/74/68/1051497468.db2.gz KBIUITIIJLVVKS-IBGZPJMESA-N 1 1 310.828 4.223 20 30 DIEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172715306 1051497474 /nfs/dbraw/zinc/49/74/74/1051497474.db2.gz KBIUITIIJLVVKS-IBGZPJMESA-N 1 1 310.828 4.223 20 30 DIEDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001172763430 1051501326 /nfs/dbraw/zinc/50/13/26/1051501326.db2.gz JDXUBPCAPVETGC-KRWDZBQOSA-N 1 1 322.493 4.435 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790740 1051507457 /nfs/dbraw/zinc/50/74/57/1051507457.db2.gz DOGDCQKDGWRNKV-RBUKOAKNSA-N 1 1 315.457 4.187 20 30 DIEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172866082 1051524848 /nfs/dbraw/zinc/52/48/48/1051524848.db2.gz GCMPZXFSLZQQRF-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172853543 1051539274 /nfs/dbraw/zinc/53/92/74/1051539274.db2.gz MRKUQAOGBNCHOL-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H](Cc1c(F)cccc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172863627 1051549914 /nfs/dbraw/zinc/54/99/14/1051549914.db2.gz YNFJPIKEKCTXFK-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@@H](Cc1c(F)cccc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172863628 1051550210 /nfs/dbraw/zinc/55/02/10/1051550210.db2.gz YNFJPIKEKCTXFK-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172870781 1051555979 /nfs/dbraw/zinc/55/59/79/1051555979.db2.gz FESIDYKZCNRWTE-CYBMUJFWSA-N 1 1 316.807 4.414 20 30 DIEDMO C=CCCCC[N@H+](C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169305959 1051581903 /nfs/dbraw/zinc/58/19/03/1051581903.db2.gz RVRVFBLMMNOADQ-UHFFFAOYSA-N 1 1 315.457 4.443 20 30 DIEDMO C=CCCCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC001170470264 1051587729 /nfs/dbraw/zinc/58/77/29/1051587729.db2.gz YSCFSSQLOZYKEP-UHFFFAOYSA-N 1 1 308.416 4.223 20 30 DIEDMO CCCOC1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001173095345 1051600335 /nfs/dbraw/zinc/60/03/35/1051600335.db2.gz KUCJIBNUHPWKMW-UHFFFAOYSA-N 1 1 300.446 4.140 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001169539474 1051639796 /nfs/dbraw/zinc/63/97/96/1051639796.db2.gz NRILNYAQMTXOOB-INIZCTEOSA-N 1 1 312.457 4.359 20 30 DIEDMO CCCCCCCC[C@@H](CCC)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001173310300 1051681213 /nfs/dbraw/zinc/68/12/13/1051681213.db2.gz SBHVLQSIKYCZPP-OAHLLOKOSA-N 1 1 307.486 4.337 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001173309636 1051682500 /nfs/dbraw/zinc/68/25/00/1051682500.db2.gz IURBBTYJDLIRSA-QGZVFWFLSA-N 1 1 306.498 4.321 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCn2c(C)nnc2C1 ZINC001173309636 1051682507 /nfs/dbraw/zinc/68/25/07/1051682507.db2.gz IURBBTYJDLIRSA-QGZVFWFLSA-N 1 1 306.498 4.321 20 30 DIEDMO N#CC1(CCCC[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CCC1 ZINC001169745548 1051685914 /nfs/dbraw/zinc/68/59/14/1051685914.db2.gz RGGQFKWHRLAJFL-IBGZPJMESA-N 1 1 300.421 4.421 20 30 DIEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000805835771 1051687292 /nfs/dbraw/zinc/68/72/92/1051687292.db2.gz SLVAFWIRDSHEQE-IBGZPJMESA-N 1 1 324.424 4.181 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000805835772 1051687315 /nfs/dbraw/zinc/68/73/15/1051687315.db2.gz SLVAFWIRDSHEQE-LJQANCHMSA-N 1 1 324.424 4.181 20 30 DIEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000805839840 1051689492 /nfs/dbraw/zinc/68/94/92/1051689492.db2.gz UGIOFEJACBSQEK-DOTOQJQBSA-N 1 1 300.446 4.236 20 30 DIEDMO C=CCOC1CCC([N@@H+](CC)Cc2cccc(F)c2F)CC1 ZINC001173323399 1051692944 /nfs/dbraw/zinc/69/29/44/1051692944.db2.gz WYNAONRECJOEKI-UHFFFAOYSA-N 1 1 309.400 4.301 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001173326339 1051693023 /nfs/dbraw/zinc/69/30/23/1051693023.db2.gz YZJFKTMKXFENKX-IOJLRTSASA-N 1 1 317.448 4.346 20 30 DIEDMO C=CCOC1CCC([N@@H+](C)Cc2cccc3cccnc32)CC1 ZINC001173327172 1051694382 /nfs/dbraw/zinc/69/43/82/1051694382.db2.gz IDOIQLWZVMHOIB-UHFFFAOYSA-N 1 1 310.441 4.180 20 30 DIEDMO C=CCOC1CCC([N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC001173328022 1051695864 /nfs/dbraw/zinc/69/58/64/1051695864.db2.gz XVNPMGPSOYLVBP-ACBHZAAOSA-N 1 1 317.498 4.290 20 30 DIEDMO CC[N@@H+]([C@@H](C)Cc1ccc(OC)cc1)C1CCC(CC#N)CC1 ZINC001173330929 1051697673 /nfs/dbraw/zinc/69/76/73/1051697673.db2.gz HWSDVDUDUCIAPC-MUYFXNHWSA-N 1 1 314.473 4.421 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC001173340326 1051698511 /nfs/dbraw/zinc/69/85/11/1051698511.db2.gz VAMOILMOJXPLLN-PPSBMQLTSA-N 1 1 300.421 4.305 20 30 DIEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CCC(CC#N)CC1 ZINC001173339835 1051699137 /nfs/dbraw/zinc/69/91/37/1051699137.db2.gz VMOXGEGOISKMIC-UHFFFAOYSA-N 1 1 311.473 4.191 20 30 DIEDMO Cc1ccccc1O[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173340316 1051699162 /nfs/dbraw/zinc/69/91/62/1051699162.db2.gz ZWCDRDJJFVINTE-CTWPCTMYSA-N 1 1 312.457 4.311 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2c(F)cccc2F)CCCC1(C)C ZINC001169843667 1051711557 /nfs/dbraw/zinc/71/15/57/1051711557.db2.gz HFHUVXRNBIQWQG-JKSUJKDBSA-N 1 1 309.400 4.065 20 30 DIEDMO C=CCOC1CCC([N@H+](CCN)CCCCCCCC)CC1 ZINC001173318121 1051711644 /nfs/dbraw/zinc/71/16/44/1051711644.db2.gz PVDFIZVFHQFEKN-UHFFFAOYSA-N 1 1 310.526 4.121 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1(C)C ZINC001169843267 1051711886 /nfs/dbraw/zinc/71/18/86/1051711886.db2.gz AYQPWUUKMKWNRB-MRXNPFEDSA-N 1 1 324.371 4.440 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CCCC1(C)C ZINC001169843267 1051711900 /nfs/dbraw/zinc/71/19/00/1051711900.db2.gz AYQPWUUKMKWNRB-MRXNPFEDSA-N 1 1 324.371 4.440 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCc2cncs2)cc1 ZINC001169867912 1051721255 /nfs/dbraw/zinc/72/12/55/1051721255.db2.gz HKYYGYJCFDWLAK-GOSISDBHSA-N 1 1 313.470 4.121 20 30 DIEDMO C=CCCCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC001169873828 1051722954 /nfs/dbraw/zinc/72/29/54/1051722954.db2.gz YNEQRRHLJOJGQA-UHFFFAOYSA-N 1 1 317.864 4.432 20 30 DIEDMO N#CCC[N@@H+]([C@@H]1CCCC2(C1)OCCO2)C1CCCCCCC1 ZINC001169949229 1051733330 /nfs/dbraw/zinc/73/33/30/1051733330.db2.gz MIGRDZQEGFMQDG-GOSISDBHSA-N 1 1 320.477 4.001 20 30 DIEDMO C=C(C)C[N@@H+](Cc1csc(C(=O)OC)c1)Cc1ccccc1 ZINC001169952235 1051733642 /nfs/dbraw/zinc/73/36/42/1051733642.db2.gz BMEJJLYEFFXUQD-UHFFFAOYSA-N 1 1 315.438 4.113 20 30 DIEDMO C=C(C)C[N@H+](Cc1csc(C(=O)OC)c1)Cc1ccccc1 ZINC001169952235 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CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769536606 1052077747 /nfs/dbraw/zinc/07/77/47/1052077747.db2.gz BXCXUXSQCHUEQT-FUHWJXTLSA-N 1 1 300.446 4.378 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000769562406 1052083199 /nfs/dbraw/zinc/08/31/99/1052083199.db2.gz NEBXLLPJKQBRFF-UHFFFAOYSA-N 1 1 320.417 4.438 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000769562406 1052083212 /nfs/dbraw/zinc/08/32/12/1052083212.db2.gz NEBXLLPJKQBRFF-UHFFFAOYSA-N 1 1 320.417 4.438 20 30 DIEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccccc1N(C)C ZINC000769576686 1052085059 /nfs/dbraw/zinc/08/50/59/1052085059.db2.gz ZFFBNGRHDBQMII-UHFFFAOYSA-N 1 1 319.355 4.190 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000769729382 1052098491 /nfs/dbraw/zinc/09/84/91/1052098491.db2.gz OSOJCADGDGWEDT-SFHVURJKSA-N 1 1 302.462 4.070 20 30 DIEDMO Cc1csc(C2([NH2+]CC#Cc3ccc(Cl)cc3)CCC2)n1 ZINC000494803318 1052111945 /nfs/dbraw/zinc/11/19/45/1052111945.db2.gz DMORBUDUBRWIRG-UHFFFAOYSA-N 1 1 316.857 4.125 20 30 DIEDMO Cc1cc(C#N)c(NC2=CCC[N@H+](Cc3ccccc3)C2)s1 ZINC001174392706 1052115572 /nfs/dbraw/zinc/11/55/72/1052115572.db2.gz IHQBOIWEQCSOCR-UHFFFAOYSA-N 1 1 309.438 4.130 20 30 DIEDMO Cc1cc(C#N)c(NC2=CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC001174392706 1052115578 /nfs/dbraw/zinc/11/55/78/1052115578.db2.gz IHQBOIWEQCSOCR-UHFFFAOYSA-N 1 1 309.438 4.130 20 30 DIEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)s1 ZINC001174421011 1052151909 /nfs/dbraw/zinc/15/19/09/1052151909.db2.gz LEHNUTOEPOHYKI-UHFFFAOYSA-N 1 1 303.456 4.030 20 30 DIEDMO CCCCCCCCCCC[C@@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217894551 1052165637 /nfs/dbraw/zinc/16/56/37/1052165637.db2.gz GHHRTVVCRHTURB-SJORKVTESA-N 1 1 315.498 4.203 20 30 DIEDMO CCCCCCCCC[C@H](C)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217894888 1052166291 /nfs/dbraw/zinc/16/62/91/1052166291.db2.gz GTZDPBDHSJBPFG-DLBZAZTESA-N 1 1 315.498 4.203 20 30 DIEDMO CCCCCCCC[C@@H](CC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217899016 1052166913 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DIEDMO CCCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000763405393 1052624041 /nfs/dbraw/zinc/62/40/41/1052624041.db2.gz ABNZSCBVYOQFHK-IBGZPJMESA-N 1 1 300.446 4.026 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O[C@@H](C#N)c1ccccc1 ZINC001223709618 1052629077 /nfs/dbraw/zinc/62/90/77/1052629077.db2.gz NTIMXSMPPITSRQ-QMMLZNLJSA-N 1 1 320.436 4.178 20 30 DIEDMO N#C[C@H](O[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC001223711203 1052629248 /nfs/dbraw/zinc/62/92/48/1052629248.db2.gz OKNXLXIMKBBZGZ-QUCCMNQESA-N 1 1 324.399 4.072 20 30 DIEDMO C=CCOc1ccccc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001223785065 1052637740 /nfs/dbraw/zinc/63/77/40/1052637740.db2.gz DBAJUBBJKIGBOL-FQEVSTJZSA-N 1 1 323.436 4.043 20 30 DIEDMO C=CCOc1ccccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001223785066 1052637743 /nfs/dbraw/zinc/63/77/43/1052637743.db2.gz DBAJUBBJKIGBOL-HXUWFJFHSA-N 1 1 323.436 4.043 20 30 DIEDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224376684 1052693101 /nfs/dbraw/zinc/69/31/01/1052693101.db2.gz URAORGSTMTWJRL-ZWKOTPCHSA-N 1 1 315.461 4.098 20 30 DIEDMO C=CCCCCCO[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224427970 1052696420 /nfs/dbraw/zinc/69/64/20/1052696420.db2.gz OBSZZDXPRBCKOO-QUCCMNQESA-N 1 1 317.473 4.039 20 30 DIEDMO C=CCCCCCO[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224427970 1052696422 /nfs/dbraw/zinc/69/64/22/1052696422.db2.gz OBSZZDXPRBCKOO-QUCCMNQESA-N 1 1 317.473 4.039 20 30 DIEDMO CCCCCCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224619114 1052710370 /nfs/dbraw/zinc/71/03/70/1052710370.db2.gz LFOYHRFXXBYJCZ-FQEVSTJZSA-N 1 1 319.489 4.265 20 30 DIEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCCCC#N ZINC001224693044 1052716413 /nfs/dbraw/zinc/71/64/13/1052716413.db2.gz QRDXWEUBWVHYLT-LJQANCHMSA-N 1 1 314.473 4.388 20 30 DIEDMO C#C[C@@H](OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001224825317 1052728923 /nfs/dbraw/zinc/72/89/23/1052728923.db2.gz JAKYKQSBDCTGER-RBBKRZOGSA-N 1 1 319.448 4.290 20 30 DIEDMO C[C@H](CC(C)(C)S)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224823752 1052729168 /nfs/dbraw/zinc/72/91/68/1052729168.db2.gz GVFREMFTDQYDGM-AEFFLSMTSA-N 1 1 321.530 4.402 20 30 DIEDMO C=CC[C@@H](C)OC[C@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152355 1052750216 /nfs/dbraw/zinc/75/02/16/1052750216.db2.gz QHRKGCVPETWNQN-XLIONFOSSA-N 1 1 317.473 4.037 20 30 DIEDMO C=CC[C@@H](C)OC[C@@]1(C)C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001225152356 1052750705 /nfs/dbraw/zinc/75/07/05/1052750705.db2.gz QHRKGCVPETWNQN-YLJYHZDGSA-N 1 1 317.473 4.037 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225263580 1052765927 /nfs/dbraw/zinc/76/59/27/1052765927.db2.gz GQKKAZIPMCAZIE-UTKZUKDTSA-N 1 1 320.436 4.042 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(CC#N)cc1 ZINC001225263581 1052766214 /nfs/dbraw/zinc/76/62/14/1052766214.db2.gz GQKKAZIPMCAZIE-UWJYYQICSA-N 1 1 320.436 4.042 20 30 DIEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335411 1052776148 /nfs/dbraw/zinc/77/61/48/1052776148.db2.gz UXKSEHOWIJYSHF-HXUWFJFHSA-N 1 1 306.409 4.088 20 30 DIEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000919654824 1052879973 /nfs/dbraw/zinc/87/99/73/1052879973.db2.gz OCECDKXIAKHOCZ-MSOLQXFVSA-N 1 1 323.525 4.005 20 30 DIEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000919654721 1052880062 /nfs/dbraw/zinc/88/00/62/1052880062.db2.gz IPWRYVYPAIZEPP-ZWKOTPCHSA-N 1 1 323.525 4.005 20 30 DIEDMO Cc1ccnc([C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000556887411 1052892664 /nfs/dbraw/zinc/89/26/64/1052892664.db2.gz XGJIQILEQBGVNI-CQSZACIVSA-N 1 1 318.342 4.111 20 30 DIEDMO CCC[C@H](C#Cc1ccccc1)Oc1cc(N)[nH+]c2ccccc21 ZINC001226422419 1052895419 /nfs/dbraw/zinc/89/54/19/1052895419.db2.gz MENMJQOILZDNON-QGZVFWFLSA-N 1 1 316.404 4.416 20 30 DIEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC000556901709 1052895602 /nfs/dbraw/zinc/89/56/02/1052895602.db2.gz QKAVJTUXPDIYTB-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c(F)c1 ZINC000556909598 1052896933 /nfs/dbraw/zinc/89/69/33/1052896933.db2.gz HTETZYGYLFFLFD-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)s1 ZINC000556909395 1052897220 /nfs/dbraw/zinc/89/72/20/1052897220.db2.gz BUKBEOHVJQSCDQ-ZDUSSCGKSA-N 1 1 302.830 4.263 20 30 DIEDMO CCCCCCCOC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000920613013 1052945777 /nfs/dbraw/zinc/94/57/77/1052945777.db2.gz DSVJHEWBKKSKJK-UHFFFAOYSA-N 1 1 318.461 4.120 20 30 DIEDMO CCCCCCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000920810014 1052951741 /nfs/dbraw/zinc/95/17/41/1052951741.db2.gz XGFRAQLVWMTEMH-KSZLIROESA-N 1 1 308.510 4.211 20 30 DIEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000763452773 1052976616 /nfs/dbraw/zinc/97/66/16/1052976616.db2.gz KEMJQLBCSHRVMM-NRFANRHFSA-N 1 1 320.436 4.344 20 30 DIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000763452774 1052976703 /nfs/dbraw/zinc/97/67/03/1052976703.db2.gz KEMJQLBCSHRVMM-OAQYLSRUSA-N 1 1 320.436 4.344 20 30 DIEDMO CC[N@H+](Cc1noc2c1CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000609417422 1052978200 /nfs/dbraw/zinc/97/82/00/1052978200.db2.gz JYDNAJQMIRQBDX-CQSZACIVSA-N 1 1 309.413 4.008 20 30 DIEDMO CC[N@@H+](Cc1noc2c1CCCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000609417422 1052978201 /nfs/dbraw/zinc/97/82/01/1052978201.db2.gz JYDNAJQMIRQBDX-CQSZACIVSA-N 1 1 309.413 4.008 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000609744346 1052989935 /nfs/dbraw/zinc/98/99/35/1052989935.db2.gz CZOHMVSGNJEQDN-UHFFFAOYSA-N 1 1 312.363 4.044 20 30 DIEDMO CC[N@H+]1CC[C@@H](Oc2ccccc2C(=O)/C=C/c2ccccc2)C1 ZINC001227435187 1052991382 /nfs/dbraw/zinc/99/13/82/1052991382.db2.gz SOCHFZVMKDDFET-QFQMRYFISA-N 1 1 321.420 4.056 20 30 DIEDMO Cc1cc(C)c(C)c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001227505472 1052996525 /nfs/dbraw/zinc/99/65/25/1052996525.db2.gz FDCNISXCYPIEEM-FQEVSTJZSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000610001811 1053002408 /nfs/dbraw/zinc/00/24/08/1053002408.db2.gz BQMBZWBCXOQPLB-CRAIPNDOSA-N 1 1 308.400 4.384 20 30 DIEDMO COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000610162020 1053009123 /nfs/dbraw/zinc/00/91/23/1053009123.db2.gz AITNUPQOVBONPI-OAHLLOKOSA-N 1 1 320.864 4.297 20 30 DIEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179981638 1053039760 /nfs/dbraw/zinc/03/97/60/1053039760.db2.gz NDRZTSIIKXBDPW-UHFFFAOYSA-N 1 1 316.326 4.145 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(F)cc1C#N)c1ccc(F)c(F)c1 ZINC000180876428 1053099957 /nfs/dbraw/zinc/09/99/57/1053099957.db2.gz KFBCOKIIMMREKX-UHFFFAOYSA-N 1 1 304.315 4.000 20 30 DIEDMO C=CC[C@@H](C=C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545927 1053131285 /nfs/dbraw/zinc/13/12/85/1053131285.db2.gz PUWKPRWVZPVMGD-CYBMUJFWSA-N 1 1 310.235 4.020 20 30 DIEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccccc1C=Nc1ccccc1)C2 ZINC001228565543 1053135502 /nfs/dbraw/zinc/13/55/02/1053135502.db2.gz SKPVPNBUQQCOHK-ACDBMABISA-N 1 1 320.436 4.441 20 30 DIEDMO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)cc1C#N ZINC001351382146 1053172975 /nfs/dbraw/zinc/17/29/75/1053172975.db2.gz RULJRFPLTBIGRW-ZDUSSCGKSA-N 1 1 313.470 4.472 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000090618829 1053238888 /nfs/dbraw/zinc/23/88/88/1053238888.db2.gz IZXIWCGUADFVQZ-INIZCTEOSA-N 1 1 302.462 4.136 20 30 DIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000090618830 1053239744 /nfs/dbraw/zinc/23/97/44/1053239744.db2.gz IZXIWCGUADFVQZ-MRXNPFEDSA-N 1 1 302.462 4.136 20 30 DIEDMO C=C[C@H](CCCCCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229084688 1053242979 /nfs/dbraw/zinc/24/29/79/1053242979.db2.gz WPYKKNAYHIYNOU-CYBMUJFWSA-N 1 1 308.397 4.424 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001360675123 1053260469 /nfs/dbraw/zinc/26/04/69/1053260469.db2.gz WFHDTWJPMOUUJA-KSZLIROESA-N 1 1 310.526 4.314 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1F ZINC000181632906 1053267019 /nfs/dbraw/zinc/26/70/19/1053267019.db2.gz PIGIJMIATTUQCJ-GOSISDBHSA-N 1 1 318.342 4.462 20 30 DIEDMO Cc1cccc(C#N)c1O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001229180665 1053269206 /nfs/dbraw/zinc/26/92/06/1053269206.db2.gz AJVLMOWGNHLVKF-YLJYHZDGSA-N 1 1 320.436 4.156 20 30 DIEDMO C[C@@H](NC(C)(C)C[NH2+][C@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000181749250 1053286889 /nfs/dbraw/zinc/28/68/89/1053286889.db2.gz JELGEGVPEIGGPK-IAGOWNOFSA-N 1 1 321.468 4.338 20 30 DIEDMO C[C@H](NC(C)(C)C[NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1 ZINC000181749198 1053286928 /nfs/dbraw/zinc/28/69/28/1053286928.db2.gz JELGEGVPEIGGPK-IRXDYDNUSA-N 1 1 321.468 4.338 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000618280085 1053292838 /nfs/dbraw/zinc/29/28/38/1053292838.db2.gz UGNHSURUDFBDCM-GOSISDBHSA-N 1 1 300.446 4.170 20 30 DIEDMO C=CCc1ccc(O)c(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001229341040 1053301280 /nfs/dbraw/zinc/30/12/80/1053301280.db2.gz DZVVDLWUWSRPSG-IBGZPJMESA-N 1 1 323.436 4.164 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C1 ZINC001320087228 1053302301 /nfs/dbraw/zinc/30/23/01/1053302301.db2.gz WGGKOQGUOGLBFJ-LJQANCHMSA-N 1 1 323.436 4.139 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)c1ccccc1 ZINC001320081192 1053302377 /nfs/dbraw/zinc/30/23/77/1053302377.db2.gz GBTLKDUFZZLKES-HOCLYGCPSA-N 1 1 310.466 4.122 20 30 DIEDMO CC[C@]1(c2cccc(O[C@H](C)CS)c2)CCCC[N@@H+](C)C1 ZINC001229648460 1053373721 /nfs/dbraw/zinc/37/37/21/1053373721.db2.gz VDLVXUZYYYPZAI-QAPCUYQASA-N 1 1 307.503 4.147 20 30 DIEDMO CC[C@@]1(c2cccc(OC3CC(C#N)C3)c2)CCCC[N@@H+](C)C1 ZINC001229648999 1053375189 /nfs/dbraw/zinc/37/51/89/1053375189.db2.gz ZTDGZDIIUPPWFP-RRWXTXHCSA-N 1 1 312.457 4.131 20 30 DIEDMO CCOc1ccc2c(c1)C[N@H+](CCCCC(C)(C)C#N)CC2 ZINC001321225817 1053401190 /nfs/dbraw/zinc/40/11/90/1053401190.db2.gz XTHIYWAANQVJMO-UHFFFAOYSA-N 1 1 300.446 4.163 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cc1OC ZINC001321217692 1053401232 /nfs/dbraw/zinc/40/12/32/1053401232.db2.gz DWKUHNALLGCAIA-UHFFFAOYSA-N 1 1 318.461 4.246 20 30 DIEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229932549 1053433592 /nfs/dbraw/zinc/43/35/92/1053433592.db2.gz DSGUKKQRAUHAFA-VYVDHXHBSA-N 1 1 324.424 4.004 20 30 DIEDMO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1c(C)noc1C ZINC000182429627 1053433796 /nfs/dbraw/zinc/43/37/96/1053433796.db2.gz DOBISDLHLVMABM-MRXNPFEDSA-N 1 1 302.805 4.037 20 30 DIEDMO CC(C)[N@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229932548 1053434412 /nfs/dbraw/zinc/43/44/12/1053434412.db2.gz DSGUKKQRAUHAFA-RSZPVBOMSA-N 1 1 324.424 4.004 20 30 DIEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321896090 1053439822 /nfs/dbraw/zinc/43/98/22/1053439822.db2.gz RICFROJCJWBZDW-HUUCEWRRSA-N 1 1 318.848 4.254 20 30 DIEDMO CCCCCCCC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001321954919 1053444940 /nfs/dbraw/zinc/44/49/40/1053444940.db2.gz ZHHKVMOGRIOMRG-QGZVFWFLSA-N 1 1 317.477 4.153 20 30 DIEDMO C=C[C@H](C)Oc1c(O)ccc2c1-c1cccc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC001230126648 1053480405 /nfs/dbraw/zinc/48/04/05/1053480405.db2.gz VNHNITANQCKBGV-SUMWQHHRSA-N 1 1 321.420 4.098 20 30 DIEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Oc1ccccc1CC#N ZINC001230276668 1053510917 /nfs/dbraw/zinc/51/09/17/1053510917.db2.gz ZRANCOKVMURGQL-XLIONFOSSA-N 1 1 320.436 4.042 20 30 DIEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C)cc1 ZINC000619620025 1053521574 /nfs/dbraw/zinc/52/15/74/1053521574.db2.gz PINBVVWVPBQTBM-UHFFFAOYSA-N 1 1 314.473 4.308 20 30 DIEDMO C[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000619720351 1053540816 /nfs/dbraw/zinc/54/08/16/1053540816.db2.gz DGTZMHWBLSZTST-BBRMVZONSA-N 1 1 310.363 4.435 20 30 DIEDMO C=CC[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccc(Cl)cc1 ZINC001230517948 1053550976 /nfs/dbraw/zinc/55/09/76/1053550976.db2.gz INLBYDONZSQWMK-MRXNPFEDSA-N 1 1 313.788 4.495 20 30 DIEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000153033221 1053569997 /nfs/dbraw/zinc/56/99/97/1053569997.db2.gz KUWPBSWFRARPEB-CQSZACIVSA-N 1 1 322.880 4.040 20 30 DIEDMO C=CCc1cccc(O[C@H]2CCCN(c3ccc(C)c[nH+]3)C2)c1 ZINC001231010405 1053648774 /nfs/dbraw/zinc/64/87/74/1053648774.db2.gz QSMQHUZDHRACFD-IBGZPJMESA-N 1 1 308.425 4.166 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccn1C1CC1 ZINC001324424288 1053652980 /nfs/dbraw/zinc/65/29/80/1053652980.db2.gz JGGSFVZIJHIMLA-UXHICEINSA-N 1 1 305.425 4.095 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccn1C1CC1 ZINC001324424288 1053652984 /nfs/dbraw/zinc/65/29/84/1053652984.db2.gz JGGSFVZIJHIMLA-UXHICEINSA-N 1 1 305.425 4.095 20 30 DIEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc2ccccc2n1 ZINC000620514580 1053670491 /nfs/dbraw/zinc/67/04/91/1053670491.db2.gz LAGPMVHBIKKFGC-UHFFFAOYSA-N 1 1 304.393 4.089 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001231199763 1053698531 /nfs/dbraw/zinc/69/85/31/1053698531.db2.gz FOTAJKTYOINRSL-SRMPHAGFSA-N 1 1 308.425 4.300 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1ccc(C#N)cc1F ZINC001325108435 1053699497 /nfs/dbraw/zinc/69/94/97/1053699497.db2.gz PDNRLAMJHNHXRN-JTQLQIEISA-N 1 1 306.743 4.341 20 30 DIEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)C1 ZINC001231200998 1053700659 /nfs/dbraw/zinc/70/06/59/1053700659.db2.gz WBGLUBYFWPZHOM-LQOIVRHRSA-N 1 1 308.425 4.299 20 30 DIEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001325302144 1053712364 /nfs/dbraw/zinc/71/23/64/1053712364.db2.gz BDRXUDOLIMWJGK-CYBMUJFWSA-N 1 1 319.754 4.136 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)ccc2Cl)C1 ZINC001325302144 1053712376 /nfs/dbraw/zinc/71/23/76/1053712376.db2.gz BDRXUDOLIMWJGK-CYBMUJFWSA-N 1 1 319.754 4.136 20 30 DIEDMO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC001325619892 1053724208 /nfs/dbraw/zinc/72/42/08/1053724208.db2.gz MLROOWPTCQAFKO-RKDXNWHRSA-N 1 1 308.636 4.498 20 30 DIEDMO Cc1[nH+]ccn1CCCSCc1ccc(Cl)cc1C#N ZINC001325727885 1053726841 /nfs/dbraw/zinc/72/68/41/1053726841.db2.gz BGIWUYUNYXVHTG-UHFFFAOYSA-N 1 1 305.834 4.040 20 30 DIEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1Cl ZINC000183715332 1053742617 /nfs/dbraw/zinc/74/26/17/1053742617.db2.gz GQGZUNZOMPIMKJ-AWEZNQCLSA-N 1 1 316.832 4.493 20 30 DIEDMO CN(C)c1ccc2cc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc2c1 ZINC001231441750 1053755473 /nfs/dbraw/zinc/75/54/73/1053755473.db2.gz DQZIWWHQNGDOHT-MRXNPFEDSA-N 1 1 307.441 4.031 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469115 1053758057 /nfs/dbraw/zinc/75/80/57/1053758057.db2.gz ONPVYONGAZUIDU-UHFFFAOYSA-N 1 1 324.424 4.097 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCc2ccccc2)cc1O ZINC001231469115 1053758069 /nfs/dbraw/zinc/75/80/69/1053758069.db2.gz ONPVYONGAZUIDU-UHFFFAOYSA-N 1 1 324.424 4.097 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)C1CCCC1 ZINC001231523856 1053777829 /nfs/dbraw/zinc/77/78/29/1053777829.db2.gz ACXGEEFSUHWWOF-UHFFFAOYSA-N 1 1 312.335 4.069 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(=O)C(C)C)c(OC)c1 ZINC001231530878 1053781049 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C=CCCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001536600540 1055138065 /nfs/dbraw/zinc/13/80/65/1055138065.db2.gz ZYOAEHYRQOVDRV-RTBURBONSA-N 1 1 314.473 4.073 20 30 DIEDMO Cc1c(Br)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001236606402 1055203254 /nfs/dbraw/zinc/20/32/54/1055203254.db2.gz FVCGXPYZRBKVGB-UHFFFAOYSA-N 1 1 321.262 4.416 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccc(C#N)cc3F)c(C)c2)CC1 ZINC001236524447 1055159371 /nfs/dbraw/zinc/15/93/71/1055159371.db2.gz XVOYPNQQUSOFLP-UHFFFAOYSA-N 1 1 321.399 4.177 20 30 DIEDMO COc1ccc(C#N)cc1-c1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001236538350 1055168611 /nfs/dbraw/zinc/16/86/11/1055168611.db2.gz HDCOROWFXJCTCZ-HNNXBMFYSA-N 1 1 321.424 4.003 20 30 DIEDMO COc1ccc(C#N)cc1-c1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001236538364 1055168951 /nfs/dbraw/zinc/16/89/51/1055168951.db2.gz HDCOROWFXJCTCZ-OAHLLOKOSA-N 1 1 321.424 4.003 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000764465227 1055187470 /nfs/dbraw/zinc/18/74/70/1055187470.db2.gz 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Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237529361 1055469518 /nfs/dbraw/zinc/46/95/18/1055469518.db2.gz ZWWAVXGFBYZGLP-IBGZPJMESA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237529361 1055469525 /nfs/dbraw/zinc/46/95/25/1055469525.db2.gz ZWWAVXGFBYZGLP-IBGZPJMESA-N 1 1 312.363 4.482 20 30 DIEDMO Cc1ccnc2cccc(C[N@@H+](C)Cc3ccc(C#N)cc3)c12 ZINC001237634818 1055490440 /nfs/dbraw/zinc/49/04/40/1055490440.db2.gz XXEUWKYPJXFGOE-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)C1 ZINC001237644867 1055493623 /nfs/dbraw/zinc/49/36/23/1055493623.db2.gz DVTWXBGJCOQOBZ-OAHLLOKOSA-N 1 1 324.399 4.324 20 30 DIEDMO C#CC[N@H+](Cc1cc(OC)ccc1C)[C@@H]1CCc2ccccc21 ZINC001237712956 1055512456 /nfs/dbraw/zinc/51/24/56/1055512456.db2.gz HDPNCBQZDAMNKZ-OAQYLSRUSA-N 1 1 305.421 4.126 20 30 DIEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1OC(C)C ZINC001237712526 1055514089 /nfs/dbraw/zinc/51/40/89/1055514089.db2.gz 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CC(C)Oc1c(F)cccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238323301 1055638797 /nfs/dbraw/zinc/63/87/97/1055638797.db2.gz OSOHSJQTRMKGJZ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO C=CC[N@H+](Cc1ccnc(Br)c1Cl)C(C)(C)C ZINC001238372757 1055648509 /nfs/dbraw/zinc/64/85/09/1055648509.db2.gz BEAKUHBQBHDXIB-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO C=CC[N@@H+](Cc1ccnc(Br)c1Cl)C(C)(C)C ZINC001238372757 1055648512 /nfs/dbraw/zinc/64/85/12/1055648512.db2.gz BEAKUHBQBHDXIB-UHFFFAOYSA-N 1 1 317.658 4.284 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1C#N ZINC001238408028 1055652693 /nfs/dbraw/zinc/65/26/93/1055652693.db2.gz WWYKUTALWHERLA-GOSISDBHSA-N 1 1 320.436 4.022 20 30 DIEDMO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC001238404602 1055653278 /nfs/dbraw/zinc/65/32/78/1055653278.db2.gz GSQDULKJRCHUQC-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(Cl)c1 ZINC001238404602 1055653284 /nfs/dbraw/zinc/65/32/84/1055653284.db2.gz GSQDULKJRCHUQC-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO COc1cc(C[N@H+](Cc2ccccc2)CC(C)C)ccc1C#N ZINC001238410433 1055653731 /nfs/dbraw/zinc/65/37/31/1055653731.db2.gz QEOFSGORLAXUSY-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)CC2)ccc1C#N ZINC001238412252 1055654030 /nfs/dbraw/zinc/65/40/30/1055654030.db2.gz BOJSJFCOFKYTEX-LJQANCHMSA-N 1 1 320.436 4.337 20 30 DIEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001238423948 1055655298 /nfs/dbraw/zinc/65/52/98/1055655298.db2.gz GVUVFKYPJFAXMJ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1F ZINC001238423948 1055655306 /nfs/dbraw/zinc/65/53/06/1055655306.db2.gz GVUVFKYPJFAXMJ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1F ZINC001238429367 1055657602 /nfs/dbraw/zinc/65/76/02/1055657602.db2.gz GXNXPITXDXDLRE-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1F ZINC001238429367 1055657606 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Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001238624639 1055700459 /nfs/dbraw/zinc/70/04/59/1055700459.db2.gz JYQKOHHXRIOJRE-KRWDZBQOSA-N 1 1 305.425 4.183 20 30 DIEDMO Cc1cnc(-c2ccccc2)c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001238626478 1055704718 /nfs/dbraw/zinc/70/47/18/1055704718.db2.gz UELDRYGJBMXYFF-KRWDZBQOSA-N 1 1 305.425 4.183 20 30 DIEDMO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238664141 1055712944 /nfs/dbraw/zinc/71/29/44/1055712944.db2.gz GJGJWYIUZUKDPJ-NNZMDNLPSA-N 1 1 312.457 4.357 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC2(CN(CCCC(F)(F)F)C2)C1 ZINC001278269890 1055730190 /nfs/dbraw/zinc/73/01/90/1055730190.db2.gz VQTVFZRIHUBWOM-UHFFFAOYSA-N 1 1 318.427 4.083 20 30 DIEDMO CCc1cc(C[N@H+]2CCCc3ccc(OC)cc3C2)ccc1C#N ZINC001238773468 1055747425 /nfs/dbraw/zinc/74/74/25/1055747425.db2.gz ZEMXLZYXTPZOSI-UHFFFAOYSA-N 1 1 320.436 4.078 20 30 DIEDMO CCCCCCC[C@H](C)CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001597032260 1055778509 /nfs/dbraw/zinc/77/85/09/1055778509.db2.gz PIKYPXNHSHQZND-FJIDUMEYSA-N 1 1 310.526 4.361 20 30 DIEDMO CCCCCCCC[C@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001569790891 1055872860 /nfs/dbraw/zinc/87/28/60/1055872860.db2.gz SHMUEQDDTNLMFB-MSOLQXFVSA-N 1 1 322.537 4.316 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1ccco1 ZINC000671745734 1055948737 /nfs/dbraw/zinc/94/87/37/1055948737.db2.gz WUNAUQSENNAEIT-INIZCTEOSA-N 1 1 300.402 4.097 20 30 DIEDMO C=CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)c(F)c1 ZINC001620504273 1055959002 /nfs/dbraw/zinc/95/90/02/1055959002.db2.gz NUGSMHIWPIAKLW-QGZVFWFLSA-N 1 1 311.828 4.079 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001620995444 1055965843 /nfs/dbraw/zinc/96/58/43/1055965843.db2.gz NARNVWYFPZAPPT-OTWHNJEPSA-N 1 1 322.537 4.458 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1ccc(OCc2cccnc2)cc1 ZINC001620646855 1055977131 /nfs/dbraw/zinc/97/71/31/1055977131.db2.gz UAKDBRQNEAERPC-UHFFFAOYSA-N 1 1 310.441 4.449 20 30 DIEDMO C=CCC[C@H]([NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)OCC ZINC001621340425 1056047402 /nfs/dbraw/zinc/04/74/02/1056047402.db2.gz LHCTZIMMXUJZIM-JCYILVPMSA-N 1 1 309.494 4.326 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCC(OC)CC2)cc1 ZINC001168610330 1056066871 /nfs/dbraw/zinc/06/68/71/1056066871.db2.gz CBYAQIVDLHOBLX-SOAGJPPSSA-N 1 1 314.473 4.379 20 30 DIEDMO C=C(Br)C[NH2+][C@H](C)c1oc2ccc(OC)cc2c1C ZINC000765777920 1056072327 /nfs/dbraw/zinc/07/23/27/1056072327.db2.gz BFFOHSKSENTHBX-LLVKDONJSA-N 1 1 324.218 4.309 20 30 DIEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001542186177 1056107833 /nfs/dbraw/zinc/10/78/33/1056107833.db2.gz NYZLFLAYVSTROZ-QZTJIDSGSA-N 1 1 310.526 4.220 20 30 DIEDMO C=CCC[C@@H](C(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccccc1 ZINC001583863170 1056187976 /nfs/dbraw/zinc/18/79/76/1056187976.db2.gz LNQHPVTWGARDHB-GOSISDBHSA-N 1 1 319.408 4.331 20 30 DIEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001543592860 1056259584 /nfs/dbraw/zinc/25/95/84/1056259584.db2.gz NKRGAPGTDLADQB-MSOLQXFVSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC001584272269 1056306291 /nfs/dbraw/zinc/30/62/91/1056306291.db2.gz JTPPIODNZWIMQM-GOSISDBHSA-N 1 1 302.462 4.040 20 30 DIEDMO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC001584272269 1056306308 /nfs/dbraw/zinc/30/63/08/1056306308.db2.gz JTPPIODNZWIMQM-GOSISDBHSA-N 1 1 302.462 4.040 20 30 DIEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000301545484 1056333572 /nfs/dbraw/zinc/33/35/72/1056333572.db2.gz OSKFTLOOMHQMRZ-QAPCUYQASA-N 1 1 323.415 4.162 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)cc1F ZINC000361860759 1056452063 /nfs/dbraw/zinc/45/20/63/1056452063.db2.gz PIDXDRNTVXUCEM-INIZCTEOSA-N 1 1 322.305 4.481 20 30 DIEDMO CC[N@@H+](CCOCc1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615229293 1056479924 /nfs/dbraw/zinc/47/99/24/1056479924.db2.gz IEEZCKHMTRPACU-KRWDZBQOSA-N 1 1 308.425 4.158 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC001615223750 1056480767 /nfs/dbraw/zinc/48/07/67/1056480767.db2.gz WQTCOEKAPBRJIX-INIZCTEOSA-N 1 1 306.409 4.316 20 30 DIEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC001615239550 1056481776 /nfs/dbraw/zinc/48/17/76/1056481776.db2.gz FPMFHJVFDVPJAC-GOSISDBHSA-N 1 1 311.510 4.397 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](c2ccccc2)O1 ZINC001615245448 1056482771 /nfs/dbraw/zinc/48/27/71/1056482771.db2.gz IKRFMKVSZZVXMC-IEBWSBKVSA-N 1 1 312.457 4.313 20 30 DIEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(Cl)c(C#N)c2)nc1 ZINC001240401475 1056484094 /nfs/dbraw/zinc/48/40/94/1056484094.db2.gz YNDITQQEVHBAKZ-SFHVURJKSA-N 1 1 311.816 4.430 20 30 DIEDMO C#CC[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CCc2ccccc21 ZINC001615264635 1056484894 /nfs/dbraw/zinc/48/48/94/1056484894.db2.gz CYNXRWHPSLBWNK-QFIPXVFZSA-N 1 1 301.433 4.298 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272436 1056486484 /nfs/dbraw/zinc/48/64/84/1056486484.db2.gz NYVDOUSALUSDAI-ICSRJNTNSA-N 1 1 309.453 4.101 20 30 DIEDMO C#CC[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272435 1056487235 /nfs/dbraw/zinc/48/72/35/1056487235.db2.gz NYVDOUSALUSDAI-AZUAARDMSA-N 1 1 309.453 4.101 20 30 DIEDMO C#CC[N@@H+](C[C@H]1CCCC2(CCC2)O1)[C@H]1CCc2ccccc21 ZINC001615272437 1056487449 /nfs/dbraw/zinc/48/74/49/1056487449.db2.gz NYVDOUSALUSDAI-QUCCMNQESA-N 1 1 309.453 4.101 20 30 DIEDMO C#CC[N@@H+](C[C@H]1CCCC2(CCC2)O1)[C@@H]1CCc2ccccc21 ZINC001615272438 1056487904 /nfs/dbraw/zinc/48/79/04/1056487904.db2.gz NYVDOUSALUSDAI-UYAOXDASSA-N 1 1 309.453 4.101 20 30 DIEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CCC(C#N)CC1 ZINC001615320082 1056491237 /nfs/dbraw/zinc/49/12/37/1056491237.db2.gz YFAGMGGZFPUHNC-UHFFFAOYSA-N 1 1 309.457 4.346 20 30 DIEDMO CCCC[N@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC001615392227 1056503176 /nfs/dbraw/zinc/50/31/76/1056503176.db2.gz JGZWUVGRBZUTDR-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO CCCC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1Cl ZINC001615392227 1056503190 /nfs/dbraw/zinc/50/31/90/1056503190.db2.gz JGZWUVGRBZUTDR-UHFFFAOYSA-N 1 1 313.832 4.409 20 30 DIEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC001615406112 1056505627 /nfs/dbraw/zinc/50/56/27/1056505627.db2.gz RTLPYEHENKGFHE-KRWDZBQOSA-N 1 1 301.430 4.341 20 30 DIEDMO N#CCC1(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC001615417042 1056507598 /nfs/dbraw/zinc/50/75/98/1056507598.db2.gz BRBGMWZJQQOYFL-UHFFFAOYSA-N 1 1 310.441 4.060 20 30 DIEDMO CCCCCCCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001615422904 1056507680 /nfs/dbraw/zinc/50/76/80/1056507680.db2.gz MZKNSOSMOJIPNM-UHFFFAOYSA-N 1 1 312.498 4.290 20 30 DIEDMO C=CCCCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001615523879 1056526880 /nfs/dbraw/zinc/52/68/80/1056526880.db2.gz JQDWGMDZKNVNJF-IYBDPMFKSA-N 1 1 310.482 4.063 20 30 DIEDMO CC[C@@H](C#N)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240478058 1056528291 /nfs/dbraw/zinc/52/82/91/1056528291.db2.gz TUBRABJTUYNZOQ-SFHVURJKSA-N 1 1 320.436 4.203 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001615535652 1056530171 /nfs/dbraw/zinc/53/01/71/1056530171.db2.gz KFQNCLFPMUNVLJ-QGZVFWFLSA-N 1 1 310.526 4.221 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC001615563863 1056537731 /nfs/dbraw/zinc/53/77/31/1056537731.db2.gz YPELFSOHTXZHNO-OAQYLSRUSA-N 1 1 319.452 4.004 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC001615584481 1056544587 /nfs/dbraw/zinc/54/45/87/1056544587.db2.gz SUYGSWZPHHGFAY-GOSISDBHSA-N 1 1 300.446 4.358 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccn3ccnc3c2)cc1 ZINC001240518605 1056549031 /nfs/dbraw/zinc/54/90/31/1056549031.db2.gz RDUSMLLSIAMKHA-IBGZPJMESA-N 1 1 303.409 4.324 20 30 DIEDMO C[C@H]1C[N@@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1C ZINC001615638685 1056549170 /nfs/dbraw/zinc/54/91/70/1056549170.db2.gz AWJSDVVYKIZGEN-KDURUIRLSA-N 1 1 318.464 4.474 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC001615664361 1056558625 /nfs/dbraw/zinc/55/86/25/1056558625.db2.gz AECBMFHJWRIVJV-AUUYWEPGSA-N 1 1 324.399 4.289 20 30 DIEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(CC)CC ZINC001615998028 1056603389 /nfs/dbraw/zinc/60/33/89/1056603389.db2.gz AIEYJBSTAURWKD-OALUTQOASA-N 1 1 314.473 4.168 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(CC)CC ZINC001615998473 1056605838 /nfs/dbraw/zinc/60/58/38/1056605838.db2.gz FZPCEBNTHWDPBE-IAGOWNOFSA-N 1 1 318.436 4.113 20 30 DIEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC001616159980 1056615470 /nfs/dbraw/zinc/61/54/70/1056615470.db2.gz WLXLEBHKLJFOAK-ZWKOTPCHSA-N 1 1 318.436 4.113 20 30 DIEDMO C=CCCCCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309743315 1056620752 /nfs/dbraw/zinc/62/07/52/1056620752.db2.gz WSPRGEJHNJEUQQ-UYAOXDASSA-N 1 1 300.490 4.233 20 30 DIEDMO N#CCC[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1ccccc1 ZINC000921920925 1056625387 /nfs/dbraw/zinc/62/53/87/1056625387.db2.gz CVYRZHIZRJPYLR-LJQANCHMSA-N 1 1 305.425 4.095 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC001616331185 1056635155 /nfs/dbraw/zinc/63/51/55/1056635155.db2.gz HJYVWNHWVNGNOF-CYBMUJFWSA-N 1 1 312.363 4.264 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC001616331185 1056635158 /nfs/dbraw/zinc/63/51/58/1056635158.db2.gz HJYVWNHWVNGNOF-CYBMUJFWSA-N 1 1 312.363 4.264 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001616339062 1056637923 /nfs/dbraw/zinc/63/79/23/1056637923.db2.gz UPAPDHRCGVQKHO-UHFFFAOYSA-N 1 1 324.399 4.261 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001616339062 1056637926 /nfs/dbraw/zinc/63/79/26/1056637926.db2.gz UPAPDHRCGVQKHO-UHFFFAOYSA-N 1 1 324.399 4.261 20 30 DIEDMO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cccc(C#N)c2)cc1 ZINC000112635819 1056643805 /nfs/dbraw/zinc/64/38/05/1056643805.db2.gz FFPKIWNQJVLEHS-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO Cc1cc(C)cc(C2=CC[N@@H+](Cc3cccc(C#N)c3)CC2)c1 ZINC001616396346 1056649064 /nfs/dbraw/zinc/64/90/64/1056649064.db2.gz VONJMBAUQOQTBS-UHFFFAOYSA-N 1 1 302.421 4.464 20 30 DIEDMO CC[N@@H+](Cc1ccc(C(=O)Nc2ccccc2C#N)cc1)C(C)C ZINC000076708904 1056651442 /nfs/dbraw/zinc/65/14/42/1056651442.db2.gz JBQVQYJVJSBIQO-UHFFFAOYSA-N 1 1 321.424 4.041 20 30 DIEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC001616549059 1056676245 /nfs/dbraw/zinc/67/62/45/1056676245.db2.gz NBNNWGMAVQXENI-AWEZNQCLSA-N 1 1 321.262 4.189 20 30 DIEDMO CC[C@H](C)[C@H]([NH2+]CCCCC1(C#N)CCC1)C(=O)OC(C)(C)C ZINC001616635634 1056692101 /nfs/dbraw/zinc/69/21/01/1056692101.db2.gz FLYLKQDTBSYNGB-HOTGVXAUSA-N 1 1 322.493 4.197 20 30 DIEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001616700474 1056702970 /nfs/dbraw/zinc/70/29/70/1056702970.db2.gz UUHOQBWNYXRCEF-CVEARBPZSA-N 1 1 310.482 4.063 20 30 DIEDMO C=CCCCCC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC001616996693 1056757788 /nfs/dbraw/zinc/75/77/88/1056757788.db2.gz ALIFXQYKNPQLFE-RTBURBONSA-N 1 1 314.517 4.479 20 30 DIEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nc2c(s1)CCCC2 ZINC000091731412 1056780030 /nfs/dbraw/zinc/78/00/30/1056780030.db2.gz SHKUYKBSWMEXIY-CHWSQXEVSA-N 1 1 311.454 4.305 20 30 DIEDMO CCCCC[N@@H+](CCCOC)Cc1cc(Cl)cc(C#N)c1 ZINC001617132957 1056780499 /nfs/dbraw/zinc/78/04/99/1056780499.db2.gz QRGAGJHJUIPHPF-UHFFFAOYSA-N 1 1 308.853 4.240 20 30 DIEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC001617175433 1056786486 /nfs/dbraw/zinc/78/64/86/1056786486.db2.gz DDOKAIGLHAQKFB-UHFFFAOYSA-N 1 1 317.376 4.151 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000172836109 1056803983 /nfs/dbraw/zinc/80/39/83/1056803983.db2.gz UDLCOJCNIMGTQE-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000172836109 1056804005 /nfs/dbraw/zinc/80/40/05/1056804005.db2.gz UDLCOJCNIMGTQE-LBPRGKRZSA-N 1 1 317.433 4.218 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c(OC(F)F)c1 ZINC001617291326 1056808886 /nfs/dbraw/zinc/80/88/86/1056808886.db2.gz JGEXAVDIEYZPLA-UHFFFAOYSA-N 1 1 320.383 4.316 20 30 DIEDMO N#Cc1cncc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC001617345912 1056817302 /nfs/dbraw/zinc/81/73/02/1056817302.db2.gz VRDCZMKKGFDORJ-HBMCJLEFSA-N 1 1 317.436 4.111 20 30 DIEDMO CC(C)(C)c1coc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000922145809 1056843505 /nfs/dbraw/zinc/84/35/05/1056843505.db2.gz VYMXHZNWTMVDHU-MRXNPFEDSA-N 1 1 311.429 4.497 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC001617627616 1056859328 /nfs/dbraw/zinc/85/93/28/1056859328.db2.gz IEDFLKWVFHYCSA-VNTMZGSJSA-N 1 1 305.506 4.222 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC001617620370 1056859697 /nfs/dbraw/zinc/85/96/97/1056859697.db2.gz DWXCDHYNAODJCK-QGZVFWFLSA-N 1 1 308.425 4.209 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)c(C)c1 ZINC001617712869 1056872023 /nfs/dbraw/zinc/87/20/23/1056872023.db2.gz ISRXJAQYLNQIBK-QGZVFWFLSA-N 1 1 308.400 4.304 20 30 DIEDMO CCCCCCCC[C@@H](C)CC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001617998036 1056912253 /nfs/dbraw/zinc/91/22/53/1056912253.db2.gz IDROGRIADZONBD-GGPKGHCWSA-N 1 1 322.537 4.173 20 30 DIEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC#Cc1ccc(F)cc1 ZINC001618195962 1056933139 /nfs/dbraw/zinc/93/31/39/1056933139.db2.gz GUENIHVHWGKFJK-LLGFUMIMSA-N 1 1 307.412 4.444 20 30 DIEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2Cc2ccccc2Cl)CC1 ZINC001618208026 1056934536 /nfs/dbraw/zinc/93/45/36/1056934536.db2.gz KPFXAPQPDIJBOL-INIZCTEOSA-N 1 1 302.849 4.431 20 30 DIEDMO C[C@H](C[N@@H+](C)CCOCc1ccc(C#N)cc1)C1CCCCC1 ZINC001618273187 1056943912 /nfs/dbraw/zinc/94/39/12/1056943912.db2.gz HJDGWHPUWFVELF-QGZVFWFLSA-N 1 1 314.473 4.223 20 30 DIEDMO CC(C)Oc1cc(Cl)ccc1C[NH2+]Cc1csc(C#N)c1 ZINC000922333287 1057010050 /nfs/dbraw/zinc/01/00/50/1057010050.db2.gz YDVGEZPJDXEMPD-UHFFFAOYSA-N 1 1 320.845 4.350 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000118391755 1057018131 /nfs/dbraw/zinc/01/81/31/1057018131.db2.gz QXCYUXFEJKGCIZ-HNNXBMFYSA-N 1 1 304.393 4.114 20 30 DIEDMO N#Cc1csc(C[N@@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000555092525 1057025869 /nfs/dbraw/zinc/02/58/69/1057025869.db2.gz IKDILLKXWPCFTL-DOJUMQAQSA-N 1 1 323.465 4.473 20 30 DIEDMO N#Cc1csc(C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000555092525 1057025870 /nfs/dbraw/zinc/02/58/70/1057025870.db2.gz IKDILLKXWPCFTL-DOJUMQAQSA-N 1 1 323.465 4.473 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(N(C)C)nc2)cc1 ZINC001241373445 1057029877 /nfs/dbraw/zinc/02/98/77/1057029877.db2.gz ZEVWZDHMJPOSLE-LJQANCHMSA-N 1 1 307.441 4.138 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2OC)nc1 ZINC001241396602 1057038343 /nfs/dbraw/zinc/03/83/43/1057038343.db2.gz DTGVMTZKZCJMLS-IBGZPJMESA-N 1 1 321.424 4.176 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154959855 1057041377 /nfs/dbraw/zinc/04/13/77/1057041377.db2.gz BOWMKTOZKKBFEP-JXFKEZNVSA-N 1 1 305.425 4.196 20 30 DIEDMO Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc(F)c1C#N ZINC001241504793 1057074568 /nfs/dbraw/zinc/07/45/68/1057074568.db2.gz JWUGEWOEKRIYKQ-UHFFFAOYSA-N 1 1 306.384 4.295 20 30 DIEDMO N#CCc1c(F)cccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241507938 1057079129 /nfs/dbraw/zinc/07/91/29/1057079129.db2.gz VSCNLCGXZVRVHK-UHFFFAOYSA-N 1 1 306.384 4.181 20 30 DIEDMO COc1cc(Cl)c(C[NH2+]Cc2cccc(C#N)c2)cc1Cl ZINC000156776218 1057090837 /nfs/dbraw/zinc/09/08/37/1057090837.db2.gz UOBUNQJDGHNUJJ-UHFFFAOYSA-N 1 1 321.207 4.163 20 30 DIEDMO C=CCn1c(C2CC2)nn(C[N@@H+](CC)C2CCCCC2)c1=S ZINC000058590794 1057174981 /nfs/dbraw/zinc/17/49/81/1057174981.db2.gz VFJPLVNRVDAQGR-UHFFFAOYSA-N 1 1 320.506 4.090 20 30 DIEDMO C=CCn1c(C2CC2)nn(C[N@H+](CC)C2CCCCC2)c1=S ZINC000058590794 1057174983 /nfs/dbraw/zinc/17/49/83/1057174983.db2.gz VFJPLVNRVDAQGR-UHFFFAOYSA-N 1 1 320.506 4.090 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3o2)C1 ZINC000625700028 1057192099 /nfs/dbraw/zinc/19/20/99/1057192099.db2.gz HAAPYWRDDLQFPI-NSHDSACASA-N 1 1 310.319 4.245 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000625701166 1057192662 /nfs/dbraw/zinc/19/26/62/1057192662.db2.gz OWWSGSQCLPYZHF-QGZVFWFLSA-N 1 1 308.425 4.059 20 30 DIEDMO C#Cc1cccc(-c2nccc3c2CC[N@@H+](Cc2ccccc2)C3)c1 ZINC001241916753 1057210672 /nfs/dbraw/zinc/21/06/72/1057210672.db2.gz HXNYDHORDJJQHF-UHFFFAOYSA-N 1 1 324.427 4.288 20 30 DIEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000674250090 1057222096 /nfs/dbraw/zinc/22/20/96/1057222096.db2.gz UUCBWDLBNFBLQC-UHFFFAOYSA-N 1 1 307.315 4.172 20 30 DIEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1ccoc1 ZINC000674250090 1057222098 /nfs/dbraw/zinc/22/20/98/1057222098.db2.gz UUCBWDLBNFBLQC-UHFFFAOYSA-N 1 1 307.315 4.172 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(OC)c(O)c2)cc1 ZINC001242176990 1057287382 /nfs/dbraw/zinc/28/73/82/1057287382.db2.gz RLBZIUSJLRDQAW-GOSISDBHSA-N 1 1 309.409 4.391 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2cnc(C#N)c(C)c2)nc1 ZINC001242354684 1057343397 /nfs/dbraw/zinc/34/33/97/1057343397.db2.gz BWVKRYOUSJTYKS-HXUWFJFHSA-N 1 1 320.440 4.261 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)o1 ZINC000174422830 1057360756 /nfs/dbraw/zinc/36/07/56/1057360756.db2.gz RRLAOCNGXWPTRU-HXUWFJFHSA-N 1 1 320.367 4.364 20 30 DIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cc(CC)no2)cc1 ZINC000766137258 1057374377 /nfs/dbraw/zinc/37/43/77/1057374377.db2.gz VMPXDCMAOXYSCY-ZDUSSCGKSA-N 1 1 320.820 4.219 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246573509 1057377343 /nfs/dbraw/zinc/37/73/43/1057377343.db2.gz FBFWRDSYJHRTJH-STXHMFSFSA-N 1 1 324.399 4.220 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000246573509 1057377350 /nfs/dbraw/zinc/37/73/50/1057377350.db2.gz FBFWRDSYJHRTJH-STXHMFSFSA-N 1 1 324.399 4.220 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3cc(C)cc(C#N)c3)c(C)c2)CC1 ZINC001242476878 1057378121 /nfs/dbraw/zinc/37/81/21/1057378121.db2.gz OATDESJAESRXFD-UHFFFAOYSA-N 1 1 317.436 4.346 20 30 DIEDMO Cc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001242540854 1057398524 /nfs/dbraw/zinc/39/85/24/1057398524.db2.gz GOFKUYLJXNDCTA-INIZCTEOSA-N 1 1 305.425 4.303 20 30 DIEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(O)c(C#N)c2)nc1 ZINC001242563749 1057406839 /nfs/dbraw/zinc/40/68/39/1057406839.db2.gz VBUYFOXAYJATOX-LJQANCHMSA-N 1 1 321.424 4.263 20 30 DIEDMO C=C(CNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000675782636 1057413002 /nfs/dbraw/zinc/41/30/02/1057413002.db2.gz WHDNJTCTXWZBAP-LAUBAEHRSA-N 1 1 312.501 4.333 20 30 DIEDMO CC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C)cc2C#N)nc1 ZINC001242591138 1057416877 /nfs/dbraw/zinc/41/68/77/1057416877.db2.gz JQKUQIQTHOOSIE-FQEVSTJZSA-N 1 1 305.425 4.476 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C)cc2C#N)nc1 ZINC001242591139 1057417204 /nfs/dbraw/zinc/41/72/04/1057417204.db2.gz JQKUQIQTHOOSIE-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1nc(C)sc1C)C(C)C ZINC000676488113 1057478450 /nfs/dbraw/zinc/47/84/50/1057478450.db2.gz BXOKTVFBZVDEQS-YOEHRIQHSA-N 1 1 321.534 4.109 20 30 DIEDMO CC#Cc1cncc(-c2ccc([C@H]3CCCC[N@@H+]3CC)cn2)c1 ZINC001242941318 1057524245 /nfs/dbraw/zinc/52/42/45/1057524245.db2.gz XOKPLYSXRARHCH-HXUWFJFHSA-N 1 1 305.425 4.062 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccnc(OC)c2OC)cc1 ZINC001242963335 1057529570 /nfs/dbraw/zinc/52/95/70/1057529570.db2.gz OELVGULXDOOZDF-SFHVURJKSA-N 1 1 324.424 4.089 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cnn3ccccc23)cc1 ZINC001242966937 1057530249 /nfs/dbraw/zinc/53/02/49/1057530249.db2.gz DYUPTMVBUDYMJD-IBGZPJMESA-N 1 1 303.409 4.324 20 30 DIEDMO Cc1[nH+]c(NCc2cc(C#N)cs2)ccc1-c1ccccc1 ZINC000580982014 1057547378 /nfs/dbraw/zinc/54/73/78/1057547378.db2.gz DLJOAIFODFRTGN-UHFFFAOYSA-N 1 1 305.406 4.602 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000611268973 1057586891 /nfs/dbraw/zinc/58/68/91/1057586891.db2.gz YXPSHLDHIZNVOG-KRWDZBQOSA-N 1 1 312.438 4.356 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000611268973 1057586898 /nfs/dbraw/zinc/58/68/98/1057586898.db2.gz YXPSHLDHIZNVOG-KRWDZBQOSA-N 1 1 312.438 4.356 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000489420728 1057587293 /nfs/dbraw/zinc/58/72/93/1057587293.db2.gz BSFPWUNLXLFBMI-GOSISDBHSA-N 1 1 314.473 4.371 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(CO)ccc2OC)cc1 ZINC001243174787 1057593808 /nfs/dbraw/zinc/59/38/08/1057593808.db2.gz AACFDWXJFXEHCN-HXUWFJFHSA-N 1 1 323.436 4.177 20 30 DIEDMO CCc1ccc([C@@H](COC)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000611393180 1057595543 /nfs/dbraw/zinc/59/55/43/1057595543.db2.gz MVIYKZAHNOFHKS-RTBURBONSA-N 1 1 324.424 4.068 20 30 DIEDMO CCc1nc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000611392923 1057595594 /nfs/dbraw/zinc/59/55/94/1057595594.db2.gz VWOYBTUDGCKFBZ-BLLLJJGKSA-N 1 1 311.454 4.305 20 30 DIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000731211564 1057738156 /nfs/dbraw/zinc/73/81/56/1057738156.db2.gz ODVXNHGWOLEREW-CQSZACIVSA-N 1 1 314.816 4.435 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(C)cc(CO)c2)cc1 ZINC001243704543 1057757702 /nfs/dbraw/zinc/75/77/02/1057757702.db2.gz OAKQESHFNULCNF-NRFANRHFSA-N 1 1 307.437 4.477 20 30 DIEDMO C=C(Br)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613213 1057826918 /nfs/dbraw/zinc/82/69/18/1057826918.db2.gz FDIMYMMOBCGSNP-UHFFFAOYSA-N 1 1 310.235 4.045 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(C3=CC[C@@H](C#N)CC3)c(C)c2)CC1 ZINC001243801484 1057782712 /nfs/dbraw/zinc/78/27/12/1057782712.db2.gz ZMEGUSQHQAEPFC-MRXNPFEDSA-N 1 1 307.441 4.206 20 30 DIEDMO C=CC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)CC1CCCCC1 ZINC000732667217 1057782728 /nfs/dbraw/zinc/78/27/28/1057782728.db2.gz LFRIMGYVQDUUCU-GOSISDBHSA-N 1 1 309.400 4.067 20 30 DIEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)cc1 ZINC000733310229 1057811868 /nfs/dbraw/zinc/81/18/68/1057811868.db2.gz AZBYAKNITDPGLD-FQEVSTJZSA-N 1 1 320.436 4.105 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(O)cc2OC)cc1 ZINC001243985686 1057829363 /nfs/dbraw/zinc/82/93/63/1057829363.db2.gz FDMMJBPGARGUKY-LJQANCHMSA-N 1 1 309.409 4.391 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(C3(C#N)CC3)c2)nc1 ZINC001244074111 1057859326 /nfs/dbraw/zinc/85/93/26/1057859326.db2.gz LNNDMVBWHYBAIQ-HXUWFJFHSA-N 1 1 317.436 4.461 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(C#N)cc2N)cc1 ZINC001244093924 1057866610 /nfs/dbraw/zinc/86/66/10/1057866610.db2.gz TXSHARCFHOIJPX-FQEVSTJZSA-N 1 1 303.409 4.130 20 30 DIEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244112762 1057873514 /nfs/dbraw/zinc/87/35/14/1057873514.db2.gz RMXZZDXICDNOKG-FQEVSTJZSA-N 1 1 320.440 4.139 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(C#N)ccc2F)nc1 ZINC001244552354 1057993522 /nfs/dbraw/zinc/99/35/22/1057993522.db2.gz DLODPEMAOALOND-LJQANCHMSA-N 1 1 309.388 4.306 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3cc(C#N)ccc3F)c(C)c2)CC1 ZINC001244558286 1057995554 /nfs/dbraw/zinc/99/55/54/1057995554.db2.gz NKAQUDFZKDOLQJ-UHFFFAOYSA-N 1 1 321.399 4.177 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cccc(F)c2CO)cc1 ZINC001244563734 1057996141 /nfs/dbraw/zinc/99/61/41/1057996141.db2.gz UYMQFPFXHNSHOX-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069329 1058106782 /nfs/dbraw/zinc/10/67/82/1058106782.db2.gz QAEGJARCSFPWJG-CQSZACIVSA-N 1 1 309.388 4.134 20 30 DIEDMO Cc1ccc(C#N)c(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cn2)c1 ZINC001245601759 1058278977 /nfs/dbraw/zinc/27/89/77/1058278977.db2.gz YKXHPKMWKVMGDE-MRXNPFEDSA-N 1 1 305.425 4.303 20 30 DIEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(-c2cc(C)ccc2C#N)nc1 ZINC001245602467 1058279783 /nfs/dbraw/zinc/27/97/83/1058279783.db2.gz BFWHBGJGGMFBRI-HXUWFJFHSA-N 1 1 305.425 4.476 20 30 DIEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@H]1CNCCC1(F)F ZINC001246086604 1058670778 /nfs/dbraw/zinc/67/07/78/1058670778.db2.gz DSZXKYOODSDDLC-CVEARBPZSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246086607 1058670801 /nfs/dbraw/zinc/67/08/01/1058670801.db2.gz DSZXKYOODSDDLC-JKSUJKDBSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1scnc1C ZINC001278435455 1058739533 /nfs/dbraw/zinc/73/95/33/1058739533.db2.gz PJTSSUJHNREFFT-IRXDYDNUSA-N 1 1 321.534 4.071 20 30 DIEDMO CCCCCCCC[NH2+][C@@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246250681 1058768304 /nfs/dbraw/zinc/76/83/04/1058768304.db2.gz XOHNWLBBLHKGQG-WOJBJXKFSA-N 1 1 302.506 4.300 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553688 1059000447 /nfs/dbraw/zinc/00/04/47/1059000447.db2.gz BVCSBEBJBDGPKQ-CVEARBPZSA-N 1 1 304.469 4.432 20 30 DIEDMO C[C@@]1(CNc2cc(F)ccc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001559180071 1059064381 /nfs/dbraw/zinc/06/43/81/1059064381.db2.gz SQUZGFKWNRYIBG-FQEVSTJZSA-N 1 1 323.415 4.021 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(N(C)C)cc2)C(C)C)cc1C#N ZINC001559492499 1059269343 /nfs/dbraw/zinc/26/93/43/1059269343.db2.gz SIMMGVGSMYLFKN-UHFFFAOYSA-N 1 1 321.468 4.343 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(C)cc(C)nc1C ZINC001559493330 1059270103 /nfs/dbraw/zinc/27/01/03/1059270103.db2.gz YDTNHHJIQYVYKE-UHFFFAOYSA-N 1 1 310.441 4.204 20 30 DIEDMO C#CC[N@H+](CCCOc1ccccc1C)[C@@H]1CCc2ccccc21 ZINC001559499066 1059281382 /nfs/dbraw/zinc/28/13/82/1059281382.db2.gz HMODVLTVECSHNG-OAQYLSRUSA-N 1 1 319.448 4.387 20 30 DIEDMO CC(C)C[N@H+](CC(=O)c1ccccc1F)Cc1ccc(C#N)cc1 ZINC001559505178 1059292045 /nfs/dbraw/zinc/29/20/45/1059292045.db2.gz CPDZMRVFYWPCIA-UHFFFAOYSA-N 1 1 324.399 4.038 20 30 DIEDMO CC(C)C[N@@H+](CC(=O)c1ccccc1F)Cc1ccc(C#N)cc1 ZINC001559505178 1059292059 /nfs/dbraw/zinc/29/20/59/1059292059.db2.gz CPDZMRVFYWPCIA-UHFFFAOYSA-N 1 1 324.399 4.038 20 30 DIEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC001559521983 1059319622 /nfs/dbraw/zinc/31/96/22/1059319622.db2.gz TWEQHSVVMBYHRY-KRWDZBQOSA-N 1 1 307.359 4.321 20 30 DIEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC001559538440 1059338845 /nfs/dbraw/zinc/33/88/45/1059338845.db2.gz YJXVOYAYNZOSTQ-CQSZACIVSA-N 1 1 305.418 4.196 20 30 DIEDMO C=C(CC)C[N@@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC001559537223 1059340594 /nfs/dbraw/zinc/34/05/94/1059340594.db2.gz QBEYKAZIJPDTMV-UHFFFAOYSA-N 1 1 305.462 4.171 20 30 DIEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1C[C@@H](OCC)C1(C)C ZINC001559550792 1059358549 /nfs/dbraw/zinc/35/85/49/1059358549.db2.gz RKZFGFFHFKRVLQ-RBUKOAKNSA-N 1 1 314.473 4.016 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001559557654 1059368915 /nfs/dbraw/zinc/36/89/15/1059368915.db2.gz DWCBDVXDIPFRPD-SFHVURJKSA-N 1 1 315.432 4.304 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001559557653 1059370224 /nfs/dbraw/zinc/37/02/24/1059370224.db2.gz DWCBDVXDIPFRPD-GOSISDBHSA-N 1 1 315.432 4.304 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC001559555897 1059370567 /nfs/dbraw/zinc/37/05/67/1059370567.db2.gz NCLSTUSFZZEKHR-UHFFFAOYSA-N 1 1 312.816 4.096 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001559554279 1059371640 /nfs/dbraw/zinc/37/16/40/1059371640.db2.gz YXBYOEFTCSGQHT-UHFFFAOYSA-N 1 1 322.493 4.150 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC001559558506 1059376170 /nfs/dbraw/zinc/37/61/70/1059376170.db2.gz XRKKVDIFYMZTLF-OAHLLOKOSA-N 1 1 308.400 4.434 20 30 DIEDMO C=CCCCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC001559578947 1059412520 /nfs/dbraw/zinc/41/25/20/1059412520.db2.gz XOBSDSVAOSFCKS-IBGZPJMESA-N 1 1 314.473 4.017 20 30 DIEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1C#N ZINC001559596874 1059432833 /nfs/dbraw/zinc/43/28/33/1059432833.db2.gz SIKVLIKJWYUYOW-OAQYLSRUSA-N 1 1 320.436 4.192 20 30 DIEDMO N#Cc1cnccc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC001559639598 1059466576 /nfs/dbraw/zinc/46/65/76/1059466576.db2.gz SVZHZFNBYWKJLO-OAQYLSRUSA-N 1 1 313.404 4.027 20 30 DIEDMO Cc1ccc(C)c([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)c1 ZINC001559648820 1059475415 /nfs/dbraw/zinc/47/54/15/1059475415.db2.gz QTUFKAQBLHMRQP-FQEVSTJZSA-N 1 1 320.436 4.391 20 30 DIEDMO N#CC1(CC[N@H+]2CCc3ccc(F)c(F)c3C2)CCCCC1 ZINC001559652323 1059482234 /nfs/dbraw/zinc/48/22/34/1059482234.db2.gz JMGDUHSLKMTQII-UHFFFAOYSA-N 1 1 304.384 4.187 20 30 DIEDMO N#CC1(CC[N@@H+]2CCc3ccc(F)c(F)c3C2)CCCCC1 ZINC001559652323 1059482238 /nfs/dbraw/zinc/48/22/38/1059482238.db2.gz JMGDUHSLKMTQII-UHFFFAOYSA-N 1 1 304.384 4.187 20 30 DIEDMO CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC001559673989 1059499096 /nfs/dbraw/zinc/49/90/96/1059499096.db2.gz ANQPICNWEUEKGU-NHCUHLMSSA-N 1 1 305.421 4.249 20 30 DIEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cc(Cl)ccc1F ZINC001559681490 1059509431 /nfs/dbraw/zinc/50/94/31/1059509431.db2.gz IUURHOAYHJDBPZ-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO C#CCC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CCCC[C@H]1C ZINC001559688072 1059517133 /nfs/dbraw/zinc/51/71/33/1059517133.db2.gz GFFJTVCXCRBSJA-AEFFLSMTSA-N 1 1 315.457 4.108 20 30 DIEDMO CCCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001559691942 1059520736 /nfs/dbraw/zinc/52/07/36/1059520736.db2.gz VWFNVALEEJEMMP-JKSUJKDBSA-N 1 1 312.498 4.287 20 30 DIEDMO C=CC[N@@H+](CCSc1cccc(OC)c1)CCc1ccco1 ZINC001559689784 1059521053 /nfs/dbraw/zinc/52/10/53/1059521053.db2.gz XDJIISLGHJRQBS-UHFFFAOYSA-N 1 1 317.454 4.111 20 30 DIEDMO C=CCC[C@@H]([NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC001559695345 1059523553 /nfs/dbraw/zinc/52/35/53/1059523553.db2.gz WWGCQTGHJHZUPU-MRXNPFEDSA-N 1 1 302.443 4.087 20 30 DIEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccc(F)cc1F ZINC001559704253 1059533100 /nfs/dbraw/zinc/53/31/00/1059533100.db2.gz IGQWDJJNNYJXAB-LBPRGKRZSA-N 1 1 305.755 4.321 20 30 DIEDMO Cc1cc(C)cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC001559715243 1059542720 /nfs/dbraw/zinc/54/27/20/1059542720.db2.gz VHXJGBZLBBMEJY-UHFFFAOYSA-N 1 1 302.421 4.464 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC001559718797 1059547594 /nfs/dbraw/zinc/54/75/94/1059547594.db2.gz MSBPVPTXWBWWRT-HXUWFJFHSA-N 1 1 305.425 4.414 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC001559718797 1059547607 /nfs/dbraw/zinc/54/76/07/1059547607.db2.gz MSBPVPTXWBWWRT-HXUWFJFHSA-N 1 1 305.425 4.414 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc([C@H](C)[NH3+])n2)cc1 ZINC001247594743 1059567962 /nfs/dbraw/zinc/56/79/62/1059567962.db2.gz MXLZBGQWAFWLIZ-ZDUSSCGKSA-N 1 1 303.406 4.106 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCc1ccc(C#N)cc1)[C@H]2C ZINC001559739324 1059570612 /nfs/dbraw/zinc/57/06/12/1059570612.db2.gz OAIPLZVEOVWJEN-CVEARBPZSA-N 1 1 320.436 4.117 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001247639219 1059581428 /nfs/dbraw/zinc/58/14/28/1059581428.db2.gz HZSRBRBLVKVGOF-INIZCTEOSA-N 1 1 315.417 4.190 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2C)no1 ZINC001247637675 1059582046 /nfs/dbraw/zinc/58/20/46/1059582046.db2.gz ATTNKPHFSDRXBI-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2OC)no1 ZINC001247640521 1059586137 /nfs/dbraw/zinc/58/61/37/1059586137.db2.gz SWBKCIXDQHRPDU-AWEZNQCLSA-N 1 1 319.380 4.021 20 30 DIEDMO CCCCCCCOc1ccc(-c2noc(C3([NH3+])CC3)n2)cc1 ZINC001247722576 1059602685 /nfs/dbraw/zinc/60/26/85/1059602685.db2.gz QTODVFUKEPYYCL-UHFFFAOYSA-N 1 1 315.417 4.034 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2ccc(-n3ccnc3)cc2)CCCC1(C)C ZINC001559796930 1059631472 /nfs/dbraw/zinc/63/14/72/1059631472.db2.gz BFQNNJUHUNCBSG-LJQANCHMSA-N 1 1 309.457 4.439 20 30 DIEDMO C=CC[C@H]1[N@@H+](C[C@H](O)c2ccc(F)cc2C)CCCC1(C)C ZINC001559797260 1059633510 /nfs/dbraw/zinc/63/35/10/1059633510.db2.gz LNJLSVTZRWJGNB-ZWKOTPCHSA-N 1 1 305.437 4.234 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCCC1(C)C ZINC001559796951 1059633556 /nfs/dbraw/zinc/63/35/56/1059633556.db2.gz BTKMXCCVMGEQPF-IAGOWNOFSA-N 1 1 309.400 4.065 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CCC(=O)Nc2ccccc2C)CCCC1(C)C ZINC001559797073 1059633614 /nfs/dbraw/zinc/63/36/14/1059633614.db2.gz FYZNWEHJEULSTM-SFHVURJKSA-N 1 1 314.473 4.390 20 30 DIEDMO C=C(C)CN(Cc1ccccc1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001559808012 1059644495 /nfs/dbraw/zinc/64/44/95/1059644495.db2.gz YJWARBSCYQMQBY-HXUWFJFHSA-N 1 1 300.490 4.328 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1COC2(CCCCC2)O1 ZINC001559807508 1059644554 /nfs/dbraw/zinc/64/45/54/1059644554.db2.gz GJRLGOTZGVKOTB-IBGZPJMESA-N 1 1 315.457 4.141 20 30 DIEDMO N#Cc1ccc(CC[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC001559816537 1059652389 /nfs/dbraw/zinc/65/23/89/1059652389.db2.gz INSPHHXJKOMMHN-BHDDXSALSA-N 1 1 316.448 4.369 20 30 DIEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(-c3ccc(F)cc3)cc2)no1 ZINC001247962568 1059657585 /nfs/dbraw/zinc/65/75/85/1059657585.db2.gz AYUVNDOLKKJRIF-INIZCTEOSA-N 1 1 309.344 4.119 20 30 DIEDMO Clc1ccccc1C#CC[N@H+]1CCCc2ccccc2CC1 ZINC001559841855 1059670048 /nfs/dbraw/zinc/67/00/48/1059670048.db2.gz WKGKFIYUYRBSQW-UHFFFAOYSA-N 1 1 309.840 4.182 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001559868403 1059689199 /nfs/dbraw/zinc/68/91/99/1059689199.db2.gz QLTCIQBDIANPGY-QINHECLXSA-N 1 1 320.436 4.333 20 30 DIEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1Cc1ccccc1Cl ZINC001559869758 1059689975 /nfs/dbraw/zinc/68/99/75/1059689975.db2.gz DCWZKCIATSUAHV-QGZVFWFLSA-N 1 1 307.865 4.330 20 30 DIEDMO CCCCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC001559873405 1059692350 /nfs/dbraw/zinc/69/23/50/1059692350.db2.gz QLMVUWRPTJXXMN-RBUKOAKNSA-N 1 1 307.453 4.147 20 30 DIEDMO Cc1ccc(CC2CC[NH+](Cc3ccncc3C#N)CC2)cc1C ZINC001559883270 1059702542 /nfs/dbraw/zinc/70/25/42/1059702542.db2.gz KGGZONLCWVOLIU-UHFFFAOYSA-N 1 1 319.452 4.025 20 30 DIEDMO CCCCCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC001559907374 1059722613 /nfs/dbraw/zinc/72/26/13/1059722613.db2.gz FMKRDKONKAMTLZ-GOSISDBHSA-N 1 1 308.510 4.214 20 30 DIEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC001559921853 1059735894 /nfs/dbraw/zinc/73/58/94/1059735894.db2.gz UJYMVXIFZUCZTN-MOPGFXCFSA-N 1 1 314.473 4.474 20 30 DIEDMO C=CCCCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)[C@H](C)[C@H]1C ZINC001559962495 1059768466 /nfs/dbraw/zinc/76/84/66/1059768466.db2.gz QLEYVEVWEYBSIF-IPMKNSEASA-N 1 1 300.490 4.326 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001559983060 1059789190 /nfs/dbraw/zinc/78/91/90/1059789190.db2.gz FPXCQRXIJFNHTN-IRXDYDNUSA-N 1 1 322.452 4.455 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c(OC(F)F)c1 ZINC001560012221 1059819597 /nfs/dbraw/zinc/81/95/97/1059819597.db2.gz SWXBCIXVZXEYOC-OAHLLOKOSA-N 1 1 320.383 4.172 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC001560017374 1059824122 /nfs/dbraw/zinc/82/41/22/1059824122.db2.gz HSEIVFBJEJZJDB-HDICACEKSA-N 1 1 313.832 4.209 20 30 DIEDMO Cc1cccc2[nH]c(Nc3sc4c(c3C#N)CC[N@H+](C)C4)cc21 ZINC001248425147 1059825573 /nfs/dbraw/zinc/82/55/73/1059825573.db2.gz MNZXPCWSCKTBHA-UHFFFAOYSA-N 1 1 322.437 4.141 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)c1cccc(C#N)c1 ZINC001560031297 1059845386 /nfs/dbraw/zinc/84/53/86/1059845386.db2.gz UVVJCSAJWXAUSR-INIZCTEOSA-N 1 1 324.424 4.029 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001560042510 1059856516 /nfs/dbraw/zinc/85/65/16/1059856516.db2.gz QIFYOUHMCSWJEP-KRWDZBQOSA-N 1 1 303.421 4.207 20 30 DIEDMO C[C@@H](C[N@@H+](C)CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001560057754 1059866634 /nfs/dbraw/zinc/86/66/34/1059866634.db2.gz BYZZLYVQMMGQIB-KRWDZBQOSA-N 1 1 314.473 4.475 20 30 DIEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001560054129 1059868589 /nfs/dbraw/zinc/86/85/89/1059868589.db2.gz SSBAGVIPMPCYOE-IYBDPMFKSA-N 1 1 310.482 4.041 20 30 DIEDMO C[C@H](C[N@@H+](C)CCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC001560057755 1059869894 /nfs/dbraw/zinc/86/98/94/1059869894.db2.gz BYZZLYVQMMGQIB-QGZVFWFLSA-N 1 1 314.473 4.475 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1N1CCCCC1 ZINC001560060166 1059873834 /nfs/dbraw/zinc/87/38/34/1059873834.db2.gz GYMFAAUDPBODSR-UYAOXDASSA-N 1 1 311.473 4.109 20 30 DIEDMO CCC[N@H+](Cc1ccc(OC)cc1)CC1CCC(C#N)CC1 ZINC001560066925 1059876385 /nfs/dbraw/zinc/87/63/85/1059876385.db2.gz MFBUYBUJKZYIJW-UHFFFAOYSA-N 1 1 300.446 4.237 20 30 DIEDMO C[N@@H+](Cc1ccccc1OCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001560064012 1059877545 /nfs/dbraw/zinc/87/75/45/1059877545.db2.gz RCSPJDQGQOVWJS-UYAOXDASSA-N 1 1 320.436 4.390 20 30 DIEDMO Cc1ccc2c(C[N@@H+](C)Cc3ccc(C#N)cc3)cccc2n1 ZINC001248565878 1059889359 /nfs/dbraw/zinc/88/93/59/1059889359.db2.gz XDCFADAXIWECJS-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO COc1c(Cl)c(Cl)ccc1C[NH+]1CCC(CC#N)CC1 ZINC001248637631 1059923103 /nfs/dbraw/zinc/92/31/03/1059923103.db2.gz UNIDFSBIHYYNCU-UHFFFAOYSA-N 1 1 313.228 4.128 20 30 DIEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc2cccnc21 ZINC001248751261 1059966244 /nfs/dbraw/zinc/96/62/44/1059966244.db2.gz PRWLRPMPWRSGQK-UHFFFAOYSA-N 1 1 315.420 4.301 20 30 DIEDMO C#CC[N@H+](C[C@H](OC)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC001560171666 1059968653 /nfs/dbraw/zinc/96/86/53/1059968653.db2.gz BGRNFKSAXKZSCM-VXKWHMMOSA-N 1 1 319.448 4.387 20 30 DIEDMO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3CCCc4ccccc43)CCO2)cc1 ZINC001560182001 1059971600 /nfs/dbraw/zinc/97/16/00/1059971600.db2.gz BKDAHDCRQUVYFN-NHCUHLMSSA-N 1 1 318.420 4.009 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001560188199 1059976047 /nfs/dbraw/zinc/97/60/47/1059976047.db2.gz JYONSFAFOWWDFN-XADARROHSA-N 1 1 318.420 4.245 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001560200059 1059982164 /nfs/dbraw/zinc/98/21/64/1059982164.db2.gz LFHCGRYOAPJNKY-HOTGVXAUSA-N 1 1 313.363 4.169 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1CCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001560206262 1059986413 /nfs/dbraw/zinc/98/64/13/1059986413.db2.gz UJRDPUVKVZURGZ-QGZVFWFLSA-N 1 1 322.493 4.064 20 30 DIEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC001560216949 1059993660 /nfs/dbraw/zinc/99/36/60/1059993660.db2.gz DGWKZNNUMAFKGN-RBUKOAKNSA-N 1 1 317.521 4.045 20 30 DIEDMO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC1(C#N)CCCCC1 ZINC001560216949 1059993685 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C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249113849 1060164186 /nfs/dbraw/zinc/16/41/86/1060164186.db2.gz PKMKYSQBJMFCDK-ZDUSSCGKSA-N 1 1 324.815 4.052 20 30 DIEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426275 1060246163 /nfs/dbraw/zinc/24/61/63/1060246163.db2.gz KWLRUFARDLPNLT-CQSZACIVSA-N 1 1 301.393 4.159 20 30 DIEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccc(C)cc1 ZINC001249430431 1060247392 /nfs/dbraw/zinc/24/73/92/1060247392.db2.gz RFIMUNBXCDCFPN-UHFFFAOYSA-N 1 1 303.409 4.370 20 30 DIEDMO CC[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1F ZINC001249429632 1060247933 /nfs/dbraw/zinc/24/79/33/1060247933.db2.gz JYRLRCRDPZGNLF-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1F ZINC001249429632 1060247946 /nfs/dbraw/zinc/24/79/46/1060247946.db2.gz JYRLRCRDPZGNLF-UHFFFAOYSA-N 1 1 307.372 4.201 20 30 DIEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)[nH]c2c1 ZINC001249429108 1060248795 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C[C@H]1C[C@@H](Nc2cccc(CC#N)c2)C[N@@H+](Cc2ccccc2)C1 ZINC001462246017 1061051264 /nfs/dbraw/zinc/05/12/64/1061051264.db2.gz DKFZBWJPZRSJCM-LAUBAEHRSA-N 1 1 319.452 4.075 20 30 DIEDMO C#CC[N@@H+](C/C=C\c1ccc(OCc2ccccc2)cc1)C1CC1 ZINC001462255394 1061057110 /nfs/dbraw/zinc/05/71/10/1061057110.db2.gz NDCJUNYKTBTTBW-TWGQIWQCSA-N 1 1 317.432 4.376 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287607 1061059215 /nfs/dbraw/zinc/05/92/15/1061059215.db2.gz NQCUAGPBGNVNHE-QWHCGFSZSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287607 1061059225 /nfs/dbraw/zinc/05/92/25/1061059225.db2.gz NQCUAGPBGNVNHE-QWHCGFSZSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287605 1061059246 /nfs/dbraw/zinc/05/92/46/1061059246.db2.gz NQCUAGPBGNVNHE-OLZOCXBDSA-N 1 1 312.363 4.344 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001473287605 1061059260 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CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473385933 1061126788 /nfs/dbraw/zinc/12/67/88/1061126788.db2.gz QBWDSYWUZCYXAM-CYBMUJFWSA-N 1 1 316.754 4.374 20 30 DIEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001473385933 1061126794 /nfs/dbraw/zinc/12/67/94/1061126794.db2.gz QBWDSYWUZCYXAM-CYBMUJFWSA-N 1 1 316.754 4.374 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001462366079 1061130382 /nfs/dbraw/zinc/13/03/82/1061130382.db2.gz VSAXZMNMUFINBP-GJZGRUSLSA-N 1 1 306.409 4.075 20 30 DIEDMO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC12CCCCC2 ZINC001473407062 1061141666 /nfs/dbraw/zinc/14/16/66/1061141666.db2.gz ZWGRKRBVHRZDNH-QGZVFWFLSA-N 1 1 312.457 4.229 20 30 DIEDMO C=C(C)C[N@H+](C)Cc1cc(OC(F)F)ccc1Br ZINC001462455562 1061163994 /nfs/dbraw/zinc/16/39/94/1061163994.db2.gz UXKJBMFKJFFUSI-UHFFFAOYSA-N 1 1 320.177 4.058 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@H](C)CSc2ccccc2)ccc1C#N ZINC001462415901 1061160364 /nfs/dbraw/zinc/16/03/64/1061160364.db2.gz SCOQDCARVACEIO-MRXNPFEDSA-N 1 1 310.466 4.479 20 30 DIEDMO C=C(C)C[N@@H+](C)Cc1cc(OC(F)F)ccc1Br ZINC001462455562 1061163990 /nfs/dbraw/zinc/16/39/90/1061163990.db2.gz UXKJBMFKJFFUSI-UHFFFAOYSA-N 1 1 320.177 4.058 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](OC)C1CCCC1 ZINC001473466220 1061178122 /nfs/dbraw/zinc/17/81/22/1061178122.db2.gz ALISAFKKSZXZIL-LJQANCHMSA-N 1 1 319.493 4.047 20 30 DIEDMO C=CCC[C@H](CC)[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001462508543 1061218504 /nfs/dbraw/zinc/21/85/04/1061218504.db2.gz OCBBIUSDDLMEFD-IHPCNDPISA-N 1 1 300.490 4.089 20 30 DIEDMO Cc1cccc2[nH]c(C[N@@H+](C)CCc3cccc(C#N)c3)cc21 ZINC001462521422 1061229050 /nfs/dbraw/zinc/22/90/50/1061229050.db2.gz VXZNJZQDOKSJBR-UHFFFAOYSA-N 1 1 303.409 4.023 20 30 DIEDMO CCCCCCCCC(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001455686517 1061232013 /nfs/dbraw/zinc/23/20/13/1061232013.db2.gz FLDRMTWEHVAENH-KRWDZBQOSA-N 1 1 308.510 4.212 20 30 DIEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001473539715 1061232602 /nfs/dbraw/zinc/23/26/02/1061232602.db2.gz UQZKKDZGLQBYMM-NHCUHLMSSA-N 1 1 304.437 4.369 20 30 DIEDMO CCCCCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC001473563653 1061250453 /nfs/dbraw/zinc/25/04/53/1061250453.db2.gz GOXDEPYCODBTHY-WGSAOQKQSA-N 1 1 319.489 4.468 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)c(OC(F)F)c1 ZINC001473567777 1061254181 /nfs/dbraw/zinc/25/41/81/1061254181.db2.gz YBSOUMJLSRMUKV-HNNXBMFYSA-N 1 1 320.383 4.172 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001473573348 1061262068 /nfs/dbraw/zinc/26/20/68/1061262068.db2.gz NDRBACZKYVNULT-APWZRJJASA-N 1 1 312.457 4.148 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC001473574457 1061262124 /nfs/dbraw/zinc/26/21/24/1061262124.db2.gz YIVWEJZKFFUUKJ-CYBMUJFWSA-N 1 1 309.800 4.276 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC001473574457 1061262153 /nfs/dbraw/zinc/26/21/53/1061262153.db2.gz YIVWEJZKFFUUKJ-CYBMUJFWSA-N 1 1 309.800 4.276 20 30 DIEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579002 1061265341 /nfs/dbraw/zinc/26/53/41/1061265341.db2.gz WCHWYRYNOLUFRK-SJORKVTESA-N 1 1 300.421 4.346 20 30 DIEDMO Cc1cccc(C)c1C[N@H+](Cc1cc(C#N)ccn1)CC(C)C ZINC001473577854 1061266274 /nfs/dbraw/zinc/26/62/74/1061266274.db2.gz MGYPSHOMRAPFSE-UHFFFAOYSA-N 1 1 307.441 4.228 20 30 DIEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001473579000 1061268109 /nfs/dbraw/zinc/26/81/09/1061268109.db2.gz WCHWYRYNOLUFRK-IAGOWNOFSA-N 1 1 300.421 4.346 20 30 DIEDMO C#Cc1ccc(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001462647058 1061315324 /nfs/dbraw/zinc/31/53/24/1061315324.db2.gz XKLSAPWGOITGSK-HXUWFJFHSA-N 1 1 304.437 4.133 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001473664295 1061328485 /nfs/dbraw/zinc/32/84/85/1061328485.db2.gz ZDRHTFUVQUVENK-OKILXGFUSA-N 1 1 322.239 4.324 20 30 DIEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001473664295 1061328503 /nfs/dbraw/zinc/32/85/03/1061328503.db2.gz ZDRHTFUVQUVENK-OKILXGFUSA-N 1 1 322.239 4.324 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](C3CCCCC3)C2)c1 ZINC001473670963 1061334981 /nfs/dbraw/zinc/33/49/81/1061334981.db2.gz QJTJMPYWKRRGSK-IBGZPJMESA-N 1 1 312.457 4.229 20 30 DIEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687648 1061347990 /nfs/dbraw/zinc/34/79/90/1061347990.db2.gz HTRMKUKUSMKFQU-PYLYLYNFSA-N 1 1 320.383 4.338 20 30 DIEDMO C[C@H](C[N@@H+](C)Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC001473705530 1061358926 /nfs/dbraw/zinc/35/89/26/1061358926.db2.gz CJJIINQRDZUZTH-MRXNPFEDSA-N 1 1 300.446 4.237 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)ccc1F ZINC001473730411 1061378020 /nfs/dbraw/zinc/37/80/20/1061378020.db2.gz SCXVGWVJYXKVJX-IBGZPJMESA-N 1 1 312.363 4.158 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)ccc1F ZINC001473730411 1061378042 /nfs/dbraw/zinc/37/80/42/1061378042.db2.gz SCXVGWVJYXKVJX-IBGZPJMESA-N 1 1 312.363 4.158 20 30 DIEDMO C=CCCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001473739695 1061382981 /nfs/dbraw/zinc/38/29/81/1061382981.db2.gz UGTKBXLHIPDLBM-DLBZAZTESA-N 1 1 322.493 4.064 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001473741004 1061383180 /nfs/dbraw/zinc/38/31/80/1061383180.db2.gz JXJWIJYOUOSQMF-UHFFFAOYSA-N 1 1 303.409 4.288 20 30 DIEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C3CCC3)CC2)cc1 ZINC001473740196 1061385266 /nfs/dbraw/zinc/38/52/66/1061385266.db2.gz CGIPFBLMKSEBCU-IBGZPJMESA-N 1 1 312.457 4.229 20 30 DIEDMO CCCCCCCC[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC001473758499 1061394359 /nfs/dbraw/zinc/39/43/59/1061394359.db2.gz WJXLTQZHTVXAIT-UHFFFAOYSA-N 1 1 303.372 4.078 20 30 DIEDMO CCCC1(CCC)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001473768805 1061398372 /nfs/dbraw/zinc/39/83/72/1061398372.db2.gz HMZMYIWQWPUTKW-GOSISDBHSA-N 1 1 300.446 4.026 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)[nH]n1 ZINC001473773441 1061403914 /nfs/dbraw/zinc/40/39/14/1061403914.db2.gz VCJWHUKXFBTWQU-CRAIPNDOSA-N 1 1 322.456 4.345 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC001473773441 1061403920 /nfs/dbraw/zinc/40/39/20/1061403920.db2.gz VCJWHUKXFBTWQU-CRAIPNDOSA-N 1 1 322.456 4.345 20 30 DIEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC001473773441 1061403926 /nfs/dbraw/zinc/40/39/26/1061403926.db2.gz VCJWHUKXFBTWQU-CRAIPNDOSA-N 1 1 322.456 4.345 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001473801342 1061413487 /nfs/dbraw/zinc/41/34/87/1061413487.db2.gz GDFSVQVXPGDGCB-KCXAZCMYSA-N 1 1 308.347 4.284 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CCC2)cc1F ZINC001473812599 1061420089 /nfs/dbraw/zinc/42/00/89/1061420089.db2.gz CBLKKPHGXITSTB-UHFFFAOYSA-N 1 1 312.363 4.391 20 30 DIEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001473818492 1061422577 /nfs/dbraw/zinc/42/25/77/1061422577.db2.gz OYHLIJZNLNUWKK-UWJYYQICSA-N 1 1 320.436 4.205 20 30 DIEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC001473818489 1061423562 /nfs/dbraw/zinc/42/35/62/1061423562.db2.gz OYHLIJZNLNUWKK-DYESRHJHSA-N 1 1 320.436 4.205 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC001473838133 1061428272 /nfs/dbraw/zinc/42/82/72/1061428272.db2.gz CYXOJRFYYTYUEO-OXQOHEQNSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccc2ncc(C[N@H+](C)Cc3cc(C#N)cs3)cc2c1 ZINC001473836607 1061429672 /nfs/dbraw/zinc/42/96/72/1061429672.db2.gz FRKDOHHXKRYOCX-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO Cc1ccc2ncc(C[N@@H+](C)Cc3cc(C#N)cs3)cc2c1 ZINC001473836607 1061429679 /nfs/dbraw/zinc/42/96/79/1061429679.db2.gz FRKDOHHXKRYOCX-UHFFFAOYSA-N 1 1 307.422 4.108 20 30 DIEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC001473843583 1061432390 /nfs/dbraw/zinc/43/23/90/1061432390.db2.gz HBWJOFFAWWFRFS-DUQGCJEPSA-N 1 1 318.420 4.115 20 30 DIEDMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]2CCC[C@@H]21 ZINC001473863127 1061438859 /nfs/dbraw/zinc/43/88/59/1061438859.db2.gz SZSAZKKVURRSSJ-JKSUJKDBSA-N 1 1 318.848 4.253 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001473865424 1061439669 /nfs/dbraw/zinc/43/96/69/1061439669.db2.gz RXSONBVUPOHXBS-QGZVFWFLSA-N 1 1 322.408 4.068 20 30 DIEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001473865424 1061439689 /nfs/dbraw/zinc/43/96/89/1061439689.db2.gz RXSONBVUPOHXBS-QGZVFWFLSA-N 1 1 322.408 4.068 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001473877613 1061444439 /nfs/dbraw/zinc/44/44/39/1061444439.db2.gz WBMBNRVNQBISLC-KRWDZBQOSA-N 1 1 306.498 4.135 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001473877614 1061445317 /nfs/dbraw/zinc/44/53/17/1061445317.db2.gz WBMBNRVNQBISLC-QGZVFWFLSA-N 1 1 306.498 4.135 20 30 DIEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001457796353 1061504140 /nfs/dbraw/zinc/50/41/40/1061504140.db2.gz MHANEEHRICQQMR-LJQANCHMSA-N 1 1 316.489 4.080 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H]1C ZINC001457883006 1061515351 /nfs/dbraw/zinc/51/53/51/1061515351.db2.gz YAPRUDJSTJKKGO-SJORKVTESA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001457883006 1061515371 /nfs/dbraw/zinc/51/53/71/1061515371.db2.gz YAPRUDJSTJKKGO-SJORKVTESA-N 1 1 308.510 4.068 20 30 DIEDMO CCCCCCCNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001457945029 1061526438 /nfs/dbraw/zinc/52/64/38/1061526438.db2.gz AWNQZDJRSIXCJD-IBGZPJMESA-N 1 1 316.489 4.196 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001252121116 1061581352 /nfs/dbraw/zinc/58/13/52/1061581352.db2.gz CGYPDZXVJZQXHL-CABCVRRESA-N 1 1 309.416 4.167 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001252121119 1061581547 /nfs/dbraw/zinc/58/15/47/1061581547.db2.gz CGYPDZXVJZQXHL-GJZGRUSLSA-N 1 1 309.416 4.167 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC001252122485 1061583298 /nfs/dbraw/zinc/58/32/98/1061583298.db2.gz WJQPGIKQJQVHNJ-AEFFLSMTSA-N 1 1 308.466 4.231 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001252128218 1061584046 /nfs/dbraw/zinc/58/40/46/1061584046.db2.gz KLGDATYSCUFCFY-LSDHHAIUSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001252128215 1061585930 /nfs/dbraw/zinc/58/59/30/1061585930.db2.gz KLGDATYSCUFCFY-CABCVRRESA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+]1Cc2cccc(OC)c2C1 ZINC001252129849 1061586246 /nfs/dbraw/zinc/58/62/46/1061586246.db2.gz FREBUYUIWQCNBO-KRWDZBQOSA-N 1 1 305.462 4.122 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1Cc2cccc(OC)c2C1 ZINC001252129849 1061586253 /nfs/dbraw/zinc/58/62/53/1061586253.db2.gz FREBUYUIWQCNBO-KRWDZBQOSA-N 1 1 305.462 4.122 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001252127108 1061586435 /nfs/dbraw/zinc/58/64/35/1061586435.db2.gz WVDXJHKULYDOSD-OWCLPIDISA-N 1 1 303.437 4.075 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252130482 1061587035 /nfs/dbraw/zinc/58/70/35/1061587035.db2.gz RKNBPAKBVXFKJE-RBUKOAKNSA-N 1 1 318.505 4.373 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+](C1CCC1)C1CCOCC1 ZINC001252132316 1061592308 /nfs/dbraw/zinc/59/23/08/1061592308.db2.gz FNQNCQIEANYPQN-IBGZPJMESA-N 1 1 311.510 4.131 20 30 DIEDMO CCCCCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001464454432 1061597058 /nfs/dbraw/zinc/59/70/58/1061597058.db2.gz XXCJGLBAWOFZSK-QGZVFWFLSA-N 1 1 310.526 4.364 20 30 DIEDMO C=C[C@](C)(O)C[N@H+](Cc1c(Cl)cccc1Cl)C(C)C ZINC001252558086 1061663732 /nfs/dbraw/zinc/66/37/32/1061663732.db2.gz MGODPMIEJYNWAY-HNNXBMFYSA-N 1 1 302.245 4.141 20 30 DIEDMO C=C[C@](C)(O)C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001252557237 1061663643 /nfs/dbraw/zinc/66/36/43/1061663643.db2.gz IJVSIYJKJLJTTP-UTKZUKDTSA-N 1 1 320.436 4.058 20 30 DIEDMO C=C[C@@](C)(O)C[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1ccccc1 ZINC001252559448 1061664868 /nfs/dbraw/zinc/66/48/68/1061664868.db2.gz XHQLCBLDTASUHR-LAUBAEHRSA-N 1 1 320.436 4.058 20 30 DIEDMO Cc1nc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)ccc1C#N ZINC001458300152 1061683531 /nfs/dbraw/zinc/68/35/31/1061683531.db2.gz BBHRMFZDUXEAPD-UHFFFAOYSA-N 1 1 319.412 4.190 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001252980337 1061771977 /nfs/dbraw/zinc/77/19/77/1061771977.db2.gz RQZJRYSSTZXMKA-RTBURBONSA-N 1 1 313.526 4.115 20 30 DIEDMO Cc1ccc(C[NH2+]Cc2c(F)ccc(F)c2Cl)cc1C#N ZINC001474263118 1061828623 /nfs/dbraw/zinc/82/86/23/1061828623.db2.gz ORXHQPJRLOAONP-UHFFFAOYSA-N 1 1 306.743 4.088 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC001253238702 1061836246 /nfs/dbraw/zinc/83/62/46/1061836246.db2.gz DLYTYDMAUUBBHX-MRXNPFEDSA-N 1 1 316.445 4.147 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001253234836 1061838761 /nfs/dbraw/zinc/83/87/61/1061838761.db2.gz FZIPQRIXQXROOA-AQNXPRMDSA-N 1 1 323.521 4.013 20 30 DIEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cccc(OC)c1 ZINC001253239100 1061839032 /nfs/dbraw/zinc/83/90/32/1061839032.db2.gz KDAGZKAKVIGTFC-SFHVURJKSA-N 1 1 305.462 4.015 20 30 DIEDMO COc1cc(C)ccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC001474320089 1061897472 /nfs/dbraw/zinc/89/74/72/1061897472.db2.gz VXNYGHCCDPDCPK-UHFFFAOYSA-N 1 1 308.425 4.286 20 30 DIEDMO C=CCOc1c(Cl)cc(C[N@@H+]2CC[C@H](CC)C2)cc1OC ZINC001474331788 1061923988 /nfs/dbraw/zinc/92/39/88/1061923988.db2.gz WEFFVKIZJZQTAI-ZDUSSCGKSA-N 1 1 309.837 4.145 20 30 DIEDMO C=C[C@@H](O)C[N@H+]1CCCC[C@H]1C(c1ccccc1)c1ccccc1 ZINC001253578393 1061930260 /nfs/dbraw/zinc/93/02/60/1061930260.db2.gz AJGKHRCOTOZIIK-RTWAWAEBSA-N 1 1 321.464 4.220 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1cocn1 ZINC001253565769 1061931790 /nfs/dbraw/zinc/93/17/90/1061931790.db2.gz RYAUGLXVXRXLBO-SFHVURJKSA-N 1 1 310.482 4.436 20 30 DIEDMO CCCCCCCCCCCC[C@H](O)C[NH2+]Cc1ncco1 ZINC001253563625 1061931840 /nfs/dbraw/zinc/93/18/40/1061931840.db2.gz LKUIPBXTCIXPRB-KRWDZBQOSA-N 1 1 310.482 4.436 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](CCC#N)CC(C)(C)C)cc1F ZINC001474339923 1061933123 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CC[N@H+](Cc1ccc(Oc2ccc(OC)cc2)cc1)C[C@@H](C)C#N ZINC001474376206 1062020834 /nfs/dbraw/zinc/02/08/34/1062020834.db2.gz JIJZHQZAWWIUQO-INIZCTEOSA-N 1 1 324.424 4.469 20 30 DIEDMO N#Cc1ccc(C[N@H+](C/C=C/c2ccc(F)cc2)C2CC2)cc1 ZINC001474390238 1062040288 /nfs/dbraw/zinc/04/02/88/1062040288.db2.gz UBPQEPLHYGQDGJ-OWOJBTEDSA-N 1 1 306.384 4.375 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC2CC2)c1F ZINC001474390945 1062043616 /nfs/dbraw/zinc/04/36/16/1062043616.db2.gz JHUPZEUCSDPKLM-UHFFFAOYSA-N 1 1 315.388 4.191 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001254355538 1062084596 /nfs/dbraw/zinc/08/45/96/1062084596.db2.gz HNJGPBXERSUSTG-UHFFFAOYSA-N 1 1 312.432 4.404 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC001459339706 1062097716 /nfs/dbraw/zinc/09/77/16/1062097716.db2.gz AEQZARQLVHDIKR-IBGZPJMESA-N 1 1 315.457 4.175 20 30 DIEDMO C#Cc1cccc(N[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC001474423637 1062098086 /nfs/dbraw/zinc/09/80/86/1062098086.db2.gz 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Cc1cc2c(s1)N([C@@H]1CC[C@H](C#N)C1)c1ccccc1NC2=[NH2+] ZINC001254636702 1062207693 /nfs/dbraw/zinc/20/76/93/1062207693.db2.gz LIEXPDJQMFTXEI-QWHCGFSZSA-N 1 1 322.437 4.237 20 30 DIEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561537 1062212146 /nfs/dbraw/zinc/21/21/46/1062212146.db2.gz NIOSHNSBPSYACE-CVEARBPZSA-N 1 1 308.878 4.318 20 30 DIEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001459561189 1062213421 /nfs/dbraw/zinc/21/34/21/1062213421.db2.gz MKTOVTITWUIQFG-VQTJNVASSA-N 1 1 305.425 4.030 20 30 DIEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001459561553 1062213601 /nfs/dbraw/zinc/21/36/01/1062213601.db2.gz NIOSHNSBPSYACE-JKSUJKDBSA-N 1 1 308.878 4.318 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC001254659693 1062220828 /nfs/dbraw/zinc/22/08/28/1062220828.db2.gz BFYHYNWPXSJADL-WWGRRREGSA-N 1 1 319.246 4.278 20 30 DIEDMO CCC[N@@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254671332 1062227396 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CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001459633794 1062272758 /nfs/dbraw/zinc/27/27/58/1062272758.db2.gz CCITVVXSMMTSJZ-IBGZPJMESA-N 1 1 310.416 4.459 20 30 DIEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC001474572877 1062277849 /nfs/dbraw/zinc/27/78/49/1062277849.db2.gz KVNPBTJEXDWMQG-MRXNPFEDSA-N 1 1 322.427 4.444 20 30 DIEDMO N#CCC[N@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)C1CCCCCCC1 ZINC001254950334 1062290029 /nfs/dbraw/zinc/29/00/29/1062290029.db2.gz FBIUTCITOWAPSG-VQFNDLOPSA-N 1 1 302.462 4.073 20 30 DIEDMO C=CC[N@H+]([C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C(C)(C)C ZINC001254987150 1062293575 /nfs/dbraw/zinc/29/35/75/1062293575.db2.gz JCGFONWPQCGNCZ-PMPSAXMXSA-N 1 1 322.493 4.061 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC[C@H]1c1ccccc1 ZINC001459673576 1062295397 /nfs/dbraw/zinc/29/53/97/1062295397.db2.gz VMCBACXNKMUBTH-HNAYVOBHSA-N 1 1 308.400 4.323 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC001474592035 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C#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001474730969 1062451474 /nfs/dbraw/zinc/45/14/74/1062451474.db2.gz AZTRPMAGSSNMPK-GOSISDBHSA-N 1 1 324.855 4.398 20 30 DIEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC001459873846 1062463198 /nfs/dbraw/zinc/46/31/98/1062463198.db2.gz NGRWCKILAGUDGZ-IVMQYODDSA-N 1 1 314.473 4.136 20 30 DIEDMO FC[C@@]1(C(F)(F)F)CC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255517209 1062469750 /nfs/dbraw/zinc/46/97/50/1062469750.db2.gz VPNUDFRGYOSGHG-ILDUYXDCSA-N 1 1 321.280 4.331 20 30 DIEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001459907044 1062489943 /nfs/dbraw/zinc/48/99/43/1062489943.db2.gz QWNJLSQTJVFFDT-HXUWFJFHSA-N 1 1 308.400 4.295 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]2C ZINC001459928902 1062502597 /nfs/dbraw/zinc/50/25/97/1062502597.db2.gz KAFGDFMLZSSXPY-KGLIPLIRSA-N 1 1 324.399 4.214 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]2C ZINC001459928902 1062502620 /nfs/dbraw/zinc/50/26/20/1062502620.db2.gz KAFGDFMLZSSXPY-KGLIPLIRSA-N 1 1 324.399 4.214 20 30 DIEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCOc3ccc(C#N)cc3)C2)cc1 ZINC001459939498 1062512239 /nfs/dbraw/zinc/51/22/39/1062512239.db2.gz YUZRWCGRAOZOLD-HXUWFJFHSA-N 1 1 320.436 4.125 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1cncc(Cl)c1)c1ccc(F)c(F)c1 ZINC001459981263 1062539929 /nfs/dbraw/zinc/53/99/29/1062539929.db2.gz WIXMQLUTYPMVLD-INIZCTEOSA-N 1 1 308.759 4.420 20 30 DIEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CC12CCCCC2 ZINC001459984345 1062548094 /nfs/dbraw/zinc/54/80/94/1062548094.db2.gz BVZWOWXTQUGXOO-HNNXBMFYSA-N 1 1 300.421 4.490 20 30 DIEDMO C[C@H](CSc1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255748521 1062571108 /nfs/dbraw/zinc/57/11/08/1062571108.db2.gz QYIFGQHBEPCFJZ-CQSZACIVSA-N 1 1 314.429 4.310 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Cl)cc(Cl)c1F ZINC001460029724 1062573058 /nfs/dbraw/zinc/57/30/58/1062573058.db2.gz AYPSXGMGSORWET-UHFFFAOYSA-N 1 1 319.251 4.072 20 30 DIEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001460025669 1062578578 /nfs/dbraw/zinc/57/85/78/1062578578.db2.gz YRBNGWXSDSRLHD-TVPLGVNVSA-N 1 1 300.421 4.196 20 30 DIEDMO C=CC[C@@H]1[N@@H+](CCOc2cccc(OC)c2)CCCC1(C)C ZINC001460027543 1062583742 /nfs/dbraw/zinc/58/37/42/1062583742.db2.gz FZGZZPYXYLFHKF-SFHVURJKSA-N 1 1 303.446 4.141 20 30 DIEDMO Cc1ccc(SC[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001255769480 1062593347 /nfs/dbraw/zinc/59/33/47/1062593347.db2.gz HMFVKVMSCJPMGR-LUKYLMHMSA-N 1 1 300.471 4.242 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC001460069927 1062614870 /nfs/dbraw/zinc/61/48/70/1062614870.db2.gz JGSMMCFQZDVTIU-QZTJIDSGSA-N 1 1 322.493 4.066 20 30 DIEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCC[C@H](C)C1 ZINC001460069931 1062615920 /nfs/dbraw/zinc/61/59/20/1062615920.db2.gz JGSMMCFQZDVTIU-ZWKOTPCHSA-N 1 1 322.493 4.066 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@H+](Cc1ccncc1C#N)CC(C)C ZINC001460089375 1062627665 /nfs/dbraw/zinc/62/76/65/1062627665.db2.gz RCTWDWBXPWYVNV-QGZVFWFLSA-N 1 1 307.441 4.481 20 30 DIEDMO C#CCCCCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001460096618 1062634731 /nfs/dbraw/zinc/63/47/31/1062634731.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 1 1 324.512 4.168 20 30 DIEDMO C#CCCCCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001460096618 1062634754 /nfs/dbraw/zinc/63/47/54/1062634754.db2.gz DCXVYKBSAJPJLX-QFIPXVFZSA-N 1 1 324.512 4.168 20 30 DIEDMO CC(C)C[C@@]1(C)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001460136019 1062655038 /nfs/dbraw/zinc/65/50/38/1062655038.db2.gz OQUQYINCFCBWFR-LJQANCHMSA-N 1 1 300.446 4.228 20 30 DIEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC001460143608 1062660476 /nfs/dbraw/zinc/66/04/76/1062660476.db2.gz WAYRIMQBXXLDHI-HIFRSBDPSA-N 1 1 308.263 4.278 20 30 DIEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001460161410 1062671965 /nfs/dbraw/zinc/67/19/65/1062671965.db2.gz LJKQAEIZFZEXHX-JXXFODFXSA-N 1 1 320.436 4.333 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC001460164759 1062672227 /nfs/dbraw/zinc/67/22/27/1062672227.db2.gz WZBXBVMAWDXVDV-UWVAXJGDSA-N 1 1 320.436 4.204 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001460199096 1062696300 /nfs/dbraw/zinc/69/63/00/1062696300.db2.gz WWNYQGSXPRRWNH-VQTJNVASSA-N 1 1 320.436 4.236 20 30 DIEDMO CC1(C)c2ccccc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001460280717 1062753143 /nfs/dbraw/zinc/75/31/43/1062753143.db2.gz VKKKZPDEOXLPIX-UHFFFAOYSA-N 1 1 320.436 4.121 20 30 DIEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2CC2CCCC2)cc1 ZINC001460316634 1062776894 /nfs/dbraw/zinc/77/68/94/1062776894.db2.gz PTEXKYSUKAZHRJ-HXUWFJFHSA-N 1 1 324.468 4.041 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC001460334161 1062786009 /nfs/dbraw/zinc/78/60/09/1062786009.db2.gz OANZQWMVQIOYBK-HUUCEWRRSA-N 1 1 308.400 4.420 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001460347313 1062798599 /nfs/dbraw/zinc/79/85/99/1062798599.db2.gz WQSVROHURKQTCU-JKSUJKDBSA-N 1 1 312.498 4.334 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC001477187415 1062801849 /nfs/dbraw/zinc/80/18/49/1062801849.db2.gz HAALUEQHTDHELZ-GOSISDBHSA-N 1 1 315.461 4.058 20 30 DIEDMO C=C(C)c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC001477187416 1062803858 /nfs/dbraw/zinc/80/38/58/1062803858.db2.gz HAALUEQHTDHELZ-SFHVURJKSA-N 1 1 315.461 4.058 20 30 DIEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC(C)(C)CC(C)(C)C1 ZINC001460394430 1062831584 /nfs/dbraw/zinc/83/15/84/1062831584.db2.gz XWRKNTLKDKDJSS-SFHVURJKSA-N 1 1 314.473 4.128 20 30 DIEDMO C=CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)C(C)(C)C ZINC001256491094 1062837667 /nfs/dbraw/zinc/83/76/67/1062837667.db2.gz VOODKVLBBZQRBM-HUUCEWRRSA-N 1 1 310.482 4.061 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC001460456701 1062864099 /nfs/dbraw/zinc/86/40/99/1062864099.db2.gz OVUHQCCDCIOPOG-UHFFFAOYSA-N 1 1 302.462 4.216 20 30 DIEDMO CCCCCCCCC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC001460456701 1062864123 /nfs/dbraw/zinc/86/41/23/1062864123.db2.gz OVUHQCCDCIOPOG-UHFFFAOYSA-N 1 1 302.462 4.216 20 30 DIEDMO C=C(Cl)C[N@H+]([C@H](CC)CO)C1CCC(C(C)(C)C)CC1 ZINC001460496968 1062884938 /nfs/dbraw/zinc/88/49/38/1062884938.db2.gz CSLKJONQEVHPPN-HWOWSKLDSA-N 1 1 301.902 4.417 20 30 DIEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)c(Cl)c1)CC(C)C ZINC001460517314 1062892991 /nfs/dbraw/zinc/89/29/91/1062892991.db2.gz PPJUCQYTYGSCJC-OAHLLOKOSA-N 1 1 313.844 4.264 20 30 DIEDMO C[C@H](Cc1ccncc1)[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001256745590 1062960817 /nfs/dbraw/zinc/96/08/17/1062960817.db2.gz ODZATECTVANGQW-OAHLLOKOSA-N 1 1 313.832 4.082 20 30 DIEDMO C[C@H](Cc1ccncc1)[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001256745590 1062960839 /nfs/dbraw/zinc/96/08/39/1062960839.db2.gz ODZATECTVANGQW-OAHLLOKOSA-N 1 1 313.832 4.082 20 30 DIEDMO CCCCCCCC[N@H+]1CCN[C@H](c2cccc(OC)c2)C1 ZINC001460664779 1062968313 /nfs/dbraw/zinc/96/83/13/1062968313.db2.gz IPFNGAGFDHUWNA-IBGZPJMESA-N 1 1 304.478 4.002 20 30 DIEDMO CCCCCCCCN1CC[NH2+][C@H](c2cccc(OC)c2)C1 ZINC001460664779 1062968329 /nfs/dbraw/zinc/96/83/29/1062968329.db2.gz IPFNGAGFDHUWNA-IBGZPJMESA-N 1 1 304.478 4.002 20 30 DIEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001460664907 1062971396 /nfs/dbraw/zinc/97/13/96/1062971396.db2.gz FTVGCOQVOHEICB-MRXNPFEDSA-N 1 1 320.477 4.047 20 30 DIEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001460664907 1062971424 /nfs/dbraw/zinc/97/14/24/1062971424.db2.gz FTVGCOQVOHEICB-MRXNPFEDSA-N 1 1 320.477 4.047 20 30 DIEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCC(CC)CC1)C2 ZINC001256871266 1063026974 /nfs/dbraw/zinc/02/69/74/1063026974.db2.gz LLADZCRILNKQHF-GUMHCPJTSA-N 1 1 321.505 4.029 20 30 DIEDMO C[C@H]([NH2+]Cc1coc(-c2ccccc2F)n1)c1cccc(C#N)c1 ZINC001460749987 1063042271 /nfs/dbraw/zinc/04/22/71/1063042271.db2.gz VTEQYPALQOWGRT-ZDUSSCGKSA-N 1 1 321.355 4.203 20 30 DIEDMO C=CCC[C@H]1CCC[N@@H+]1CCOc1ccccc1Br ZINC001460887437 1063118120 /nfs/dbraw/zinc/11/81/20/1063118120.db2.gz SPVXVEXJFGZKEB-AWEZNQCLSA-N 1 1 324.262 4.259 20 30 DIEDMO C[N@@H+](Cc1ccccn1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015634 1063079476 /nfs/dbraw/zinc/07/94/76/1063079476.db2.gz MMBAFYDNYVPLHE-UHFFFAOYSA-N 1 1 305.425 4.111 20 30 DIEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC(F)(F)[C@@H](F)C3)CC2)cc1 ZINC001257016400 1063081538 /nfs/dbraw/zinc/08/15/38/1063081538.db2.gz CCQNUQKJYWGZBI-JCYILVPMSA-N 1 1 322.374 4.264 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@H]4OCCC[C@@H]4C3)CC2)cc1 ZINC001257017512 1063082696 /nfs/dbraw/zinc/08/26/96/1063082696.db2.gz VKJCUKKEPBSNOM-GOLJUSPKSA-N 1 1 324.468 4.085 20 30 DIEDMO N#Cc1ccc(C2CCC([N@H+]3CCc4occc4C3)CC2)cc1 ZINC001257019257 1063084877 /nfs/dbraw/zinc/08/48/77/1063084877.db2.gz MIYHSTZKGDMWOV-UHFFFAOYSA-N 1 1 306.409 4.236 20 30 DIEDMO CCO[C@@H]1CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257021317 1063085247 /nfs/dbraw/zinc/08/52/47/1063085247.db2.gz SGSLLMVUOWWRHH-SOAGJPPSSA-N 1 1 312.457 4.085 20 30 DIEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001460870526 1063110339 /nfs/dbraw/zinc/11/03/39/1063110339.db2.gz LMTARROCURILCE-INIZCTEOSA-N 1 1 302.468 4.278 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC001460887475 1063118232 /nfs/dbraw/zinc/11/82/32/1063118232.db2.gz VGLNUANUESEOKO-OAHLLOKOSA-N 1 1 319.246 4.251 20 30 DIEDMO C=CCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257142863 1063121765 /nfs/dbraw/zinc/12/17/65/1063121765.db2.gz NWKATZAZVJEMHB-SJORKVTESA-N 1 1 324.509 4.453 20 30 DIEDMO Cc1cc(C)cc(C2CC[NH+](Cc3nc(C#N)cs3)CC2)c1 ZINC001460898660 1063124460 /nfs/dbraw/zinc/12/44/60/1063124460.db2.gz RWDJRTDKWPVQHW-UHFFFAOYSA-N 1 1 311.454 4.011 20 30 DIEDMO C=CCCC[N@H+](CC)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC001460903522 1063126494 /nfs/dbraw/zinc/12/64/94/1063126494.db2.gz XFYWBEHNIGSBCW-UHFFFAOYSA-N 1 1 308.853 4.183 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CCCCCC)C2 ZINC001257369936 1063238607 /nfs/dbraw/zinc/23/86/07/1063238607.db2.gz XLFQGBCEJAQLKT-FHWLQOOXSA-N 1 1 309.494 4.171 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCCCCC)C2 ZINC001257369935 1063239487 /nfs/dbraw/zinc/23/94/87/1063239487.db2.gz XLFQGBCEJAQLKT-CEXWTWQISA-N 1 1 309.494 4.171 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](CC)CCCC)CCO2 ZINC001257421509 1063268483 /nfs/dbraw/zinc/26/84/83/1063268483.db2.gz OYPWJKLVKNOFNO-GBESFXJTSA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCCCC)CCO2 ZINC001257515179 1063321681 /nfs/dbraw/zinc/32/16/81/1063321681.db2.gz OIJWYYUOYFUEBC-GUDVDZBRSA-N 1 1 309.494 4.029 20 30 DIEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCCCC)CCO2 ZINC001257515177 1063322482 /nfs/dbraw/zinc/32/24/82/1063322482.db2.gz OIJWYYUOYFUEBC-GBESFXJTSA-N 1 1 309.494 4.029 20 30 DIEDMO C=CC[N@H+](C)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257771485 1063384197 /nfs/dbraw/zinc/38/41/97/1063384197.db2.gz QGWUMRUARLYRKH-UHFFFAOYSA-N 1 1 322.493 4.064 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257833091 1063400174 /nfs/dbraw/zinc/40/01/74/1063400174.db2.gz LUUQSIFWOAGUCD-KKXNLOMOSA-N 1 1 312.457 4.140 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2CCc2ccccc2)c1F ZINC001473112687 1063414251 /nfs/dbraw/zinc/41/42/51/1063414251.db2.gz SGNJEQYWFKDTNE-IBGZPJMESA-N 1 1 308.400 4.295 20 30 DIEDMO Cc1cccc(OCC[N@H+](C)CC#Cc2ccccc2Cl)c1 ZINC001473113252 1063415933 /nfs/dbraw/zinc/41/59/33/1063415933.db2.gz XRFBMLDKFGMMMU-UHFFFAOYSA-N 1 1 313.828 4.011 20 30 DIEDMO CCC1CCC([N@@H+](CCOc2ccccc2C#N)C2CC2)CC1 ZINC001473113278 1063416054 /nfs/dbraw/zinc/41/60/54/1063416054.db2.gz XTSMTQRMJMZQRE-UHFFFAOYSA-N 1 1 312.457 4.370 20 30 DIEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCC(OC(C)C)CC1 ZINC001257882841 1063422348 /nfs/dbraw/zinc/42/23/48/1063422348.db2.gz FHBLZLPCOPCQGS-GZNCHQMQSA-N 1 1 311.469 4.345 20 30 DIEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])c(C)c1 ZINC001473120596 1063423198 /nfs/dbraw/zinc/42/31/98/1063423198.db2.gz MJTKWWCDFXOHHE-OAHLLOKOSA-N 1 1 323.396 4.276 20 30 DIEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001258044464 1063479503 /nfs/dbraw/zinc/47/95/03/1063479503.db2.gz OLJSRJXZXKZRCS-MCIONIFRSA-N 1 1 313.379 4.073 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](N4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894444 1063431896 /nfs/dbraw/zinc/43/18/96/1063431896.db2.gz VFEPSAKIXZNZQL-WSCSCYJOSA-N 1 1 320.496 4.020 20 30 DIEDMO C=C1C[C@@H]2CC(N3CC[C@@H]([NH+]4CCCCC4)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257894444 1063431907 /nfs/dbraw/zinc/43/19/07/1063431907.db2.gz VFEPSAKIXZNZQL-WSCSCYJOSA-N 1 1 320.496 4.020 20 30 DIEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4c5ccccc5C(=O)[C@H]4C3)C[C@H](C1)C2 ZINC001257892195 1063432127 /nfs/dbraw/zinc/43/21/27/1063432127.db2.gz VGXZAEWXJLZSAM-PMVJOBDPSA-N 1 1 307.437 4.033 20 30 DIEDMO C=CCC[N@H+](Cc1ccccc1)C1CCN(CC(C)C)CC1 ZINC001258014232 1063464324 /nfs/dbraw/zinc/46/43/24/1063464324.db2.gz GGNCCSMLKQHKFJ-UHFFFAOYSA-N 1 1 300.490 4.185 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(CC(C)C)CC1 ZINC001258014232 1063464337 /nfs/dbraw/zinc/46/43/37/1063464337.db2.gz GGNCCSMLKQHKFJ-UHFFFAOYSA-N 1 1 300.490 4.185 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001546268366 1063466850 /nfs/dbraw/zinc/46/68/50/1063466850.db2.gz BQFSEXKLSFNGNX-DNHBRAKOSA-N 1 1 308.510 4.234 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001258043452 1063477033 /nfs/dbraw/zinc/47/70/33/1063477033.db2.gz CIKMWLRBDNAZBJ-SJLPKXTDSA-N 1 1 321.509 4.198 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001258046461 1063477497 /nfs/dbraw/zinc/47/74/97/1063477497.db2.gz BHAHLNGJJOKKMM-PKOBYXMFSA-N 1 1 308.510 4.070 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001258044634 1063477533 /nfs/dbraw/zinc/47/75/33/1063477533.db2.gz RZPRPYORKWAXGB-IAGOWNOFSA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@H](C)[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001258047511 1063478840 /nfs/dbraw/zinc/47/88/40/1063478840.db2.gz LICBDBDPXASJPV-ZWKOTPCHSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001258044636 1063479035 /nfs/dbraw/zinc/47/90/35/1063479035.db2.gz RZPRPYORKWAXGB-SJORKVTESA-N 1 1 321.509 4.105 20 30 DIEDMO CCCCCCC[C@@H](C)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001258044464 1063479484 /nfs/dbraw/zinc/47/94/84/1063479484.db2.gz OLJSRJXZXKZRCS-MCIONIFRSA-N 1 1 313.379 4.073 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001258048365 1063481661 /nfs/dbraw/zinc/48/16/61/1063481661.db2.gz UDKXBVHVHPUOFP-SCTDSRPQSA-N 1 1 308.510 4.259 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001473176101 1063482360 /nfs/dbraw/zinc/48/23/60/1063482360.db2.gz RQZUEUWBUKSZHC-ROUUACIJSA-N 1 1 316.445 4.101 20 30 DIEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001258048647 1063483276 /nfs/dbraw/zinc/48/32/76/1063483276.db2.gz WMVUOMUKXMKQJH-GBESFXJTSA-N 1 1 311.510 4.395 20 30 DIEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178729 1063484334 /nfs/dbraw/zinc/48/43/34/1063484334.db2.gz CKGYJMHJUIGLNI-JKSUJKDBSA-N 1 1 319.876 4.405 20 30 DIEDMO C=CCCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC001473181513 1063489746 /nfs/dbraw/zinc/48/97/46/1063489746.db2.gz XNWCDWLTFMEODY-UHFFFAOYSA-N 1 1 308.263 4.379 20 30 DIEDMO Cc1cccc([C@H]2CCCC[N@@H+]2Cc2ccncc2C#N)c1C ZINC001473187278 1063496465 /nfs/dbraw/zinc/49/64/65/1063496465.db2.gz PDAOKIKLSNGEOQ-HXUWFJFHSA-N 1 1 305.425 4.297 20 30 DIEDMO Cc1cccc([C@H]2CCCC[N@H+]2Cc2ccncc2C#N)c1C ZINC001473187278 1063496468 /nfs/dbraw/zinc/49/64/68/1063496468.db2.gz PDAOKIKLSNGEOQ-HXUWFJFHSA-N 1 1 305.425 4.297 20 30 DIEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)C[C@H](C)CC(C)C)C2 ZINC001258069428 1063496861 /nfs/dbraw/zinc/49/68/61/1063496861.db2.gz HYTVHYDCQNJVLP-YSTOQKLRSA-N 1 1 323.521 4.273 20 30 DIEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258091848 1063514804 /nfs/dbraw/zinc/51/48/04/1063514804.db2.gz BUXBCHFRJFSITH-SLFFLAALSA-N 1 1 321.505 4.195 20 30 DIEDMO CCOC(=O)CCC[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001258126845 1063527910 /nfs/dbraw/zinc/52/79/10/1063527910.db2.gz IAADDOSNGDKYMU-QGZVFWFLSA-N 1 1 322.493 4.437 20 30 DIEDMO CCOC(=O)CCC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001258126844 1063528113 /nfs/dbraw/zinc/52/81/13/1063528113.db2.gz IAADDOSNGDKYMU-KRWDZBQOSA-N 1 1 322.493 4.437 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001258228115 1063569579 /nfs/dbraw/zinc/56/95/79/1063569579.db2.gz DJKQSGOBAUKRRG-AEFFLSMTSA-N 1 1 310.482 4.090 20 30 DIEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CCCC(C)(C)C1)CCO2 ZINC001258291831 1063589342 /nfs/dbraw/zinc/58/93/42/1063589342.db2.gz PUHUQSWJGASHOF-WSTZPKSXSA-N 1 1 321.505 4.029 20 30 DIEDMO C[C@H](CC(C)(C)SCc1ccco1)[N@H+]1CCC[C@H](C#N)C1 ZINC001258313611 1063603571 /nfs/dbraw/zinc/60/35/71/1063603571.db2.gz FSCSIGDWFMJQRW-HUUCEWRRSA-N 1 1 306.475 4.306 20 30 DIEDMO C[C@@H](CC(C)(C)SCc1ccco1)[N@H+]1CC[C@](C)(C#N)C1 ZINC001258315085 1063606488 /nfs/dbraw/zinc/60/64/88/1063606488.db2.gz ATHOHZGCBDRKFC-WMLDXEAASA-N 1 1 306.475 4.306 20 30 DIEDMO C=CCN1CC[C@]2(CCC[N@H+](C(CCCC)CCCC)C2)C1=O ZINC001258386354 1063629094 /nfs/dbraw/zinc/62/90/94/1063629094.db2.gz XZUBSAHKKNOCQJ-FQEVSTJZSA-N 1 1 320.521 4.236 20 30 DIEDMO COc1ccc(CC[C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC001258403294 1063640758 /nfs/dbraw/zinc/64/07/58/1063640758.db2.gz KGOGILPHZLRDTL-MRXNPFEDSA-N 1 1 308.425 4.020 20 30 DIEDMO CCC[C@@H](Cc1ccccc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001258656966 1063728354 /nfs/dbraw/zinc/72/83/54/1063728354.db2.gz LKXAGUCTBBWJGN-FQEVSTJZSA-N 1 1 307.441 4.209 20 30 DIEDMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258656966 1063728367 /nfs/dbraw/zinc/72/83/67/1063728367.db2.gz LKXAGUCTBBWJGN-FQEVSTJZSA-N 1 1 307.441 4.209 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C)ccc1NC ZINC001461871270 1063763900 /nfs/dbraw/zinc/76/39/00/1063763900.db2.gz IYXYFXZUXLPRRW-UHFFFAOYSA-N 1 1 310.441 4.234 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)[N@@H+]1CCn2c(C)nnc2C1 ZINC001258713701 1063770837 /nfs/dbraw/zinc/77/08/37/1063770837.db2.gz BLELZZBHTRQWBJ-QGZVFWFLSA-N 1 1 306.498 4.177 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCn2c(C)nnc2C1 ZINC001258713701 1063770851 /nfs/dbraw/zinc/77/08/51/1063770851.db2.gz BLELZZBHTRQWBJ-QGZVFWFLSA-N 1 1 306.498 4.177 20 30 DIEDMO CNc1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC001461884283 1063775638 /nfs/dbraw/zinc/77/56/38/1063775638.db2.gz SCIFNSQKVZCTKM-QUCCMNQESA-N 1 1 305.425 4.000 20 30 DIEDMO C=CCC[C@H](C)[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccn1 ZINC001258725604 1063778250 /nfs/dbraw/zinc/77/82/50/1063778250.db2.gz LZDCMVFLRMEYPO-HNAYVOBHSA-N 1 1 320.440 4.002 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001258726884 1063778806 /nfs/dbraw/zinc/77/88/06/1063778806.db2.gz YDCLXBHGTAFZPV-VQIMIIECSA-N 1 1 322.493 4.207 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)cccc1C ZINC001258725373 1063779802 /nfs/dbraw/zinc/77/98/02/1063779802.db2.gz KRTFNIXMGXLJAU-ROUUACIJSA-N 1 1 314.473 4.451 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001258731902 1063781306 /nfs/dbraw/zinc/78/13/06/1063781306.db2.gz FEEBMFSZPHYSFZ-WDSOQIARSA-N 1 1 315.457 4.010 20 30 DIEDMO C=CCC[C@H](C)[N@@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001258731245 1063781470 /nfs/dbraw/zinc/78/14/70/1063781470.db2.gz BTYZXHWQOICAAS-YTQUADARSA-N 1 1 315.457 4.152 20 30 DIEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1C ZINC001461896683 1063782009 /nfs/dbraw/zinc/78/20/09/1063782009.db2.gz HWPRBRZZXVCCCO-UHFFFAOYSA-N 1 1 301.792 4.423 20 30 DIEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(Cl)c1C ZINC001461896683 1063782021 /nfs/dbraw/zinc/78/20/21/1063782021.db2.gz HWPRBRZZXVCCCO-UHFFFAOYSA-N 1 1 301.792 4.423 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2Cc3c(c(-c4ccccc4)nn3C)[C@H]2C1 ZINC001258731466 1063782503 /nfs/dbraw/zinc/78/25/03/1063782503.db2.gz YDYDJOKADKAQFS-JQHSSLGASA-N 1 1 321.468 4.013 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](CCC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258735732 1063784705 /nfs/dbraw/zinc/78/47/05/1063784705.db2.gz AGFNDMPKAGWLPK-SJORKVTESA-N 1 1 324.509 4.310 20 30 DIEDMO C=CCC[C@H](C)[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001258736466 1063784736 /nfs/dbraw/zinc/78/47/36/1063784736.db2.gz UIQVBZOKKXDZLO-BBRMVZONSA-N 1 1 313.363 4.433 20 30 DIEDMO C=CCC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1F ZINC001258735569 1063784857 /nfs/dbraw/zinc/78/48/57/1063784857.db2.gz WRDKVHCLCHFNQL-LLVKDONJSA-N 1 1 300.215 4.375 20 30 DIEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC001461899092 1063786222 /nfs/dbraw/zinc/78/62/22/1063786222.db2.gz NNLSZRUDUUGQTO-UHFFFAOYSA-N 1 1 300.446 4.237 20 30 DIEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCC2CC2)cc1 ZINC001461899092 1063786230 /nfs/dbraw/zinc/78/62/30/1063786230.db2.gz NNLSZRUDUUGQTO-UHFFFAOYSA-N 1 1 300.446 4.237 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC001461902392 1063786359 /nfs/dbraw/zinc/78/63/59/1063786359.db2.gz NGTQDXWXHHHJHY-KRWDZBQOSA-N 1 1 322.452 4.043 20 30 DIEDMO COc1cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)ccc1C#N ZINC001461933410 1063821748 /nfs/dbraw/zinc/82/17/48/1063821748.db2.gz AJPZFWKDAMXQBL-OAQYLSRUSA-N 1 1 320.436 4.121 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)cs1 ZINC001461986707 1063859964 /nfs/dbraw/zinc/85/99/64/1063859964.db2.gz LWBKCZQHLFNTAC-UHFFFAOYSA-N 1 1 312.438 4.270 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]1c1ccccc1 ZINC001461990045 1063861320 /nfs/dbraw/zinc/86/13/20/1063861320.db2.gz VRQQRYKKTSNSRO-NHCUHLMSSA-N 1 1 302.421 4.350 20 30 DIEDMO C#CC[N@H+](Cc1cc(O)cc(Cl)c1)[C@H]1CCc2ccccc21 ZINC001461990341 1063862134 /nfs/dbraw/zinc/86/21/34/1063862134.db2.gz WXCDYEVGQUNWJL-IBGZPJMESA-N 1 1 311.812 4.168 20 30 DIEDMO C=CCC[C@@H](CC)[NH2+][C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001461990642 1063864621 /nfs/dbraw/zinc/86/46/21/1063864621.db2.gz HAHQSLSPUFBFFR-QZTJIDSGSA-N 1 1 317.473 4.274 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ccccc34)CC2)cc1 ZINC001461997647 1063870555 /nfs/dbraw/zinc/87/05/55/1063870555.db2.gz GPVQDMIPCMVYPD-UHFFFAOYSA-N 1 1 312.416 4.439 20 30 DIEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(F)c(F)c1N(C)C ZINC001462034652 1063891694 /nfs/dbraw/zinc/89/16/94/1063891694.db2.gz PNLTXOKMWICSCE-UHFFFAOYSA-N 1 1 322.424 4.281 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)c(F)c1N(C)C ZINC001462034652 1063891703 /nfs/dbraw/zinc/89/17/03/1063891703.db2.gz PNLTXOKMWICSCE-UHFFFAOYSA-N 1 1 322.424 4.281 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CCc4cc(Cl)ccc4C3)cc2)CC1 ZINC001462082031 1063920833 /nfs/dbraw/zinc/92/08/33/1063920833.db2.gz CIHAMCVSWPLTAS-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO N#CC1(c2ccc(C[N@H+]3CCc4cc(Cl)ccc4C3)cc2)CC1 ZINC001462082031 1063920841 /nfs/dbraw/zinc/92/08/41/1063920841.db2.gz CIHAMCVSWPLTAS-UHFFFAOYSA-N 1 1 322.839 4.453 20 30 DIEDMO Cc1cc(C)c(CSCCCC2(C#N)CCOCC2)c(C)[nH+]1 ZINC001261848752 1063949162 /nfs/dbraw/zinc/94/91/62/1063949162.db2.gz JXKBLLWAMVQTES-UHFFFAOYSA-N 1 1 318.486 4.341 20 30 DIEDMO COc1ccccc1C1([NH2+][C@@H](C)c2cccc(C#N)c2O)CCC1 ZINC001261853162 1063949744 /nfs/dbraw/zinc/94/97/44/1063949744.db2.gz ZDHDVNKAJUGVRH-AWEZNQCLSA-N 1 1 322.408 4.002 20 30 DIEDMO C#CCCC[N@H+]1CCCC2(CN(C[C@H](CC)CCCC)C2)C1 ZINC001279239337 1064337276 /nfs/dbraw/zinc/33/72/76/1064337276.db2.gz RIJSNLALQVNLKG-LJQANCHMSA-N 1 1 304.522 4.014 20 30 DIEDMO C#CCCC[N@@H+]1CCCC2(CN(C[C@H](CC)CCCC)C2)C1 ZINC001279239337 1064337288 /nfs/dbraw/zinc/33/72/88/1064337288.db2.gz RIJSNLALQVNLKG-LJQANCHMSA-N 1 1 304.522 4.014 20 30 DIEDMO C=CCCCCCN1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001279271254 1064338616 /nfs/dbraw/zinc/33/86/16/1064338616.db2.gz HFTDJCKOOBRIBN-UHFFFAOYSA-N 1 1 318.427 4.083 20 30 DIEDMO C=CCCCCCN1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001279271254 1064338631 /nfs/dbraw/zinc/33/86/31/1064338631.db2.gz HFTDJCKOOBRIBN-UHFFFAOYSA-N 1 1 318.427 4.083 20 30 DIEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1ccc(C#N)cc1 ZINC001279744892 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C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001308829072 1066303845 /nfs/dbraw/zinc/30/38/45/1066303845.db2.gz AVZJDUIKHRCZTI-AWEZNQCLSA-N 1 1 314.379 4.462 20 30 DIEDMO C[C@@H](CC1CCCCC1)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001308851415 1066331465 /nfs/dbraw/zinc/33/14/65/1066331465.db2.gz KTXFZEVTUNMEKA-OXJNMPFZSA-N 1 1 314.473 4.130 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001308856490 1066336697 /nfs/dbraw/zinc/33/66/97/1066336697.db2.gz XKZJYEVUNDUJQK-KRWDZBQOSA-N 1 1 309.457 4.358 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)oc2C)C1 ZINC001308856184 1066336753 /nfs/dbraw/zinc/33/67/53/1066336753.db2.gz VCKFMERRGXMMSX-CQSZACIVSA-N 1 1 302.443 4.500 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC001308855228 1066337124 /nfs/dbraw/zinc/33/71/24/1066337124.db2.gz LVKAALIXSRKMGU-LLVKDONJSA-N 1 1 300.265 4.299 20 30 DIEDMO C#CC[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2OC(F)F)C1 ZINC001308881632 1066361379 /nfs/dbraw/zinc/36/13/79/1066361379.db2.gz 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CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497622054 333270830 /nfs/dbraw/zinc/27/08/30/333270830.db2.gz ZXLFXFAFHFFLPG-OAHLLOKOSA-N 1 1 323.396 4.092 20 30 DIEDMO C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H]1CCCCO1 ZINC000497728238 333284046 /nfs/dbraw/zinc/28/40/46/333284046.db2.gz SUOIAGVDNFJNON-FQEVSTJZSA-N 1 1 320.436 4.226 20 30 DIEDMO CC(C)c1ccc(C[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000364328569 333288319 /nfs/dbraw/zinc/28/83/19/333288319.db2.gz DBNITWHXTGHGRD-MOPGFXCFSA-N 1 1 309.457 4.118 20 30 DIEDMO CC1CC[NH+](C[C@@H]2CCCN(CCCCC(C)(C)C#N)C2)CC1 ZINC000364357264 333298096 /nfs/dbraw/zinc/29/80/96/333298096.db2.gz UVCYFZJIJALSHH-LJQANCHMSA-N 1 1 319.537 4.150 20 30 DIEDMO CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000188190984 333357741 /nfs/dbraw/zinc/35/77/41/333357741.db2.gz GJIHYHGBPCMGFS-QGZVFWFLSA-N 1 1 313.489 4.063 20 30 DIEDMO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000188523448 333370948 /nfs/dbraw/zinc/37/09/48/333370948.db2.gz YNNBKZPADOTYFB-PXNSSMCTSA-N 1 1 320.521 4.092 20 30 DIEDMO CC(C)[C@H]([NH2+]CCC1(C#N)CCCCC1)c1nc(C2CC2)no1 ZINC000411486748 333680279 /nfs/dbraw/zinc/68/02/79/333680279.db2.gz IETVTWLJODDKKA-HNNXBMFYSA-N 1 1 316.449 4.098 20 30 DIEDMO C=C(C)[C@H]([NH2+]Cc1ccc(CC)cn1)c1ccc(F)c(F)c1 ZINC000411555573 333693402 /nfs/dbraw/zinc/69/34/02/333693402.db2.gz NKSDKLOHYLJZEV-SFHVURJKSA-N 1 1 302.368 4.329 20 30 DIEDMO N#CCCCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000265322852 333964767 /nfs/dbraw/zinc/96/47/67/333964767.db2.gz FHNMPZCQFLOTLU-UHFFFAOYSA-N 1 1 304.191 4.103 20 30 DIEDMO CCCCCCC[C@H]([NH2+]Cc1nncn1CC)c1ccccc1 ZINC000268801312 333994609 /nfs/dbraw/zinc/99/46/09/333994609.db2.gz YVFSZACXGBOCNS-SFHVURJKSA-N 1 1 314.477 4.489 20 30 DIEDMO COc1ccc2[nH]cc(C3=CC[N@@H+](CCC(C)(C)C#N)CC3)c2c1 ZINC000272015191 334029792 /nfs/dbraw/zinc/02/97/92/334029792.db2.gz LMJGWMGCZBOXQM-UHFFFAOYSA-N 1 1 323.440 4.205 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000272489135 334035294 /nfs/dbraw/zinc/03/52/94/334035294.db2.gz DMBQCYSSKFFCDL-UHFFFAOYSA-N 1 1 317.864 4.066 20 30 DIEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000277561003 334088931 /nfs/dbraw/zinc/08/89/31/334088931.db2.gz AGKBIDCLSKJIKK-CRAIPNDOSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000277561003 334088933 /nfs/dbraw/zinc/08/89/33/334088933.db2.gz AGKBIDCLSKJIKK-CRAIPNDOSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000277561007 334088940 /nfs/dbraw/zinc/08/89/40/334088940.db2.gz AGKBIDCLSKJIKK-MAUKXSAKSA-N 1 1 318.436 4.308 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccc(F)cc2)O1 ZINC000277561007 334088942 /nfs/dbraw/zinc/08/89/42/334088942.db2.gz AGKBIDCLSKJIKK-MAUKXSAKSA-N 1 1 318.436 4.308 20 30 DIEDMO COc1ccc([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cc1 ZINC000277574943 334089192 /nfs/dbraw/zinc/08/91/92/334089192.db2.gz BQYCBNZWWLHDAA-KRWDZBQOSA-N 1 1 300.446 4.205 20 30 DIEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000277628660 334089518 /nfs/dbraw/zinc/08/95/18/334089518.db2.gz GRFHWUOPNQVYDN-FUHWJXTLSA-N 1 1 300.446 4.168 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000277881968 334091765 /nfs/dbraw/zinc/09/17/65/334091765.db2.gz ZFZIEGAQHZYYAG-HZPDHXFCSA-N 1 1 320.502 4.356 20 30 DIEDMO CCc1ccc(-c2noc([C@H](C)[NH2+][C@H]3CCC[C@@H](C#N)C3)n2)cc1 ZINC000278416731 334096282 /nfs/dbraw/zinc/09/62/82/334096282.db2.gz QXKSIILTEVMMAE-LXZKKBNFSA-N 1 1 324.428 4.032 20 30 DIEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(C)(C)CCC#N ZINC000278848391 334102243 /nfs/dbraw/zinc/10/22/43/334102243.db2.gz DCGCIANLFUDLCM-MRXNPFEDSA-N 1 1 308.853 4.289 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000278846390 334102246 /nfs/dbraw/zinc/10/22/46/334102246.db2.gz REOKATPBIYBRHI-KRWDZBQOSA-N 1 1 300.446 4.107 20 30 DIEDMO Cc1cc(OCCCC2(C#N)CCOCC2)c2c(C)cccc2[nH+]1 ZINC000281498623 334126508 /nfs/dbraw/zinc/12/65/08/334126508.db2.gz XYCVKNMVKYPSLR-UHFFFAOYSA-N 1 1 324.424 4.331 20 30 DIEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281888643 334129358 /nfs/dbraw/zinc/12/93/58/334129358.db2.gz DPLUZAXADSJPNC-OAHLLOKOSA-N 1 1 320.864 4.433 20 30 DIEDMO CC[C@H](C)[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282001887 334130442 /nfs/dbraw/zinc/13/04/42/334130442.db2.gz NPYAEYVCUKAZSV-SFHVURJKSA-N 1 1 314.473 4.388 20 30 DIEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000289554531 334166480 /nfs/dbraw/zinc/16/64/80/334166480.db2.gz XKQKTLSHKCXVPW-HXUWFJFHSA-N 1 1 324.424 4.181 20 30 DIEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289923773 334169524 /nfs/dbraw/zinc/16/95/24/334169524.db2.gz UMLRWGULGASEEA-QGZVFWFLSA-N 1 1 314.473 4.267 20 30 DIEDMO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000343589308 335180053 /nfs/dbraw/zinc/18/00/53/335180053.db2.gz VIKQLIKTDPHQSN-INIZCTEOSA-N 1 1 323.362 4.236 20 30 DIEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)C1 ZINC000293562555 334199104 /nfs/dbraw/zinc/19/91/04/334199104.db2.gz MGGZYVUIHDSKOP-XPKDYRNWSA-N 1 1 306.862 4.199 20 30 DIEDMO C=CCOc1ccc(C[NH2+]C2(c3nc(C)cs3)CCC2)cc1 ZINC000340433281 334199596 /nfs/dbraw/zinc/19/95/96/334199596.db2.gz PMBZVIJICUKHJV-UHFFFAOYSA-N 1 1 314.454 4.185 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2ncoc2-c2ccccc2)cc1 ZINC000531916340 334288101 /nfs/dbraw/zinc/28/81/01/334288101.db2.gz CKNMNCDPFOTKRP-UHFFFAOYSA-N 1 1 320.392 4.196 20 30 DIEDMO C=CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000121280602 334343543 /nfs/dbraw/zinc/34/35/43/334343543.db2.gz YVDIFFPMPUMMJA-VIFPVBQESA-N 1 1 312.200 4.222 20 30 DIEDMO C=CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000121280602 334343544 /nfs/dbraw/zinc/34/35/44/334343544.db2.gz YVDIFFPMPUMMJA-VIFPVBQESA-N 1 1 312.200 4.222 20 30 DIEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCCCC2 ZINC000303962001 334350427 /nfs/dbraw/zinc/35/04/27/334350427.db2.gz ZYWAUSYCEPUNDD-RTBURBONSA-N 1 1 312.457 4.118 20 30 DIEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc(F)cc1F ZINC000341846842 334487304 /nfs/dbraw/zinc/48/73/04/334487304.db2.gz NLZWXODROCMZOM-INIZCTEOSA-N 1 1 304.315 4.216 20 30 DIEDMO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)o1 ZINC000444007954 338466768 /nfs/dbraw/zinc/46/67/68/338466768.db2.gz IBNADCQXWQOLFQ-HNNXBMFYSA-N 1 1 308.303 4.243 20 30 DIEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2csc(CC)n2)cc1 ZINC000162323849 334905439 /nfs/dbraw/zinc/90/54/39/334905439.db2.gz BRZVPMUSRBTLKW-UONOGXRCSA-N 1 1 314.454 4.129 20 30 DIEDMO Cc1c(C[NH2+]Cc2ccc(C#N)cc2F)oc2ccc(F)cc12 ZINC000343714410 335186073 /nfs/dbraw/zinc/18/60/73/335186073.db2.gz NKYGXDZHBDUATQ-UHFFFAOYSA-N 1 1 312.319 4.181 20 30 DIEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccn1-c1ccccc1 ZINC000346964954 335454325 /nfs/dbraw/zinc/45/43/25/335454325.db2.gz NBGBTTNJXDZDQG-JKSUJKDBSA-N 1 1 316.408 4.156 20 30 DIEDMO FCC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444736862 338486102 /nfs/dbraw/zinc/48/61/02/338486102.db2.gz PPEBDTQZTDDEQF-SNVBAGLBSA-N 1 1 303.221 4.258 20 30 DIEDMO C[C@H](CCC#N)[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000351494374 336038351 /nfs/dbraw/zinc/03/83/51/336038351.db2.gz RBPSUDCVGFDZPR-CYBMUJFWSA-N 1 1 321.262 4.105 20 30 DIEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2C(C)(C)C#N)on1 ZINC000331822910 336149958 /nfs/dbraw/zinc/14/99/58/336149958.db2.gz MMPYRTHVDQUGRV-QGZVFWFLSA-N 1 1 309.413 4.121 20 30 DIEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332180161 336161812 /nfs/dbraw/zinc/16/18/12/336161812.db2.gz VJWSXVRDQFLQLA-INIZCTEOSA-N 1 1 324.428 4.009 20 30 DIEDMO CC(C)(CCC#N)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000351983634 336185773 /nfs/dbraw/zinc/18/57/73/336185773.db2.gz UAHZCEFVAHLVCZ-UHFFFAOYSA-N 1 1 304.384 4.384 20 30 DIEDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1C#N ZINC000532352740 336243771 /nfs/dbraw/zinc/24/37/71/336243771.db2.gz HGUMHLZGGDHPOF-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1ccccc1C#N ZINC000532352740 336243772 /nfs/dbraw/zinc/24/37/72/336243772.db2.gz HGUMHLZGGDHPOF-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO CCCOc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000532501662 336252312 /nfs/dbraw/zinc/25/23/12/336252312.db2.gz XLSCJWODZBOTIB-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO CCCOc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000532501662 336252313 /nfs/dbraw/zinc/25/23/13/336252313.db2.gz XLSCJWODZBOTIB-UHFFFAOYSA-N 1 1 312.388 4.118 20 30 DIEDMO Cc1cccc([C@H]2CCC[N@H+]2CC#Cc2ccc(Cl)cc2)n1 ZINC000532538229 336255374 /nfs/dbraw/zinc/25/53/74/336255374.db2.gz DQVBLQPLNVUJHI-LJQANCHMSA-N 1 1 310.828 4.232 20 30 DIEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2[nH]1 ZINC000532589202 336256588 /nfs/dbraw/zinc/25/65/88/336256588.db2.gz NFADZUGEXKRGKY-SFHVURJKSA-N 1 1 322.387 4.061 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1nc2ccccc2[nH]1 ZINC000532589201 336256595 /nfs/dbraw/zinc/25/65/95/336256595.db2.gz NFADZUGEXKRGKY-GOSISDBHSA-N 1 1 322.387 4.061 20 30 DIEDMO CC(C)(C)C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000352822054 336257378 /nfs/dbraw/zinc/25/73/78/336257378.db2.gz JAZTYUMIAHFESI-OAHLLOKOSA-N 1 1 317.433 4.421 20 30 DIEDMO COc1ccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745848 336269415 /nfs/dbraw/zinc/26/94/15/336269415.db2.gz KHJFLLDWKRFMRR-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C#N ZINC000532745848 336269416 /nfs/dbraw/zinc/26/94/16/336269416.db2.gz KHJFLLDWKRFMRR-GFCCVEGCSA-N 1 1 316.351 4.038 20 30 DIEDMO N#Cc1cccc(Cl)c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000301168397 336293010 /nfs/dbraw/zinc/29/30/10/336293010.db2.gz FKTDROMZRMVYIL-OAHLLOKOSA-N 1 1 315.804 4.054 20 30 DIEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(Cl)cc2C#N)c1 ZINC000301233209 336296010 /nfs/dbraw/zinc/29/60/10/336296010.db2.gz KJIHYQGLDWUMNO-UHFFFAOYSA-N 1 1 313.832 4.275 20 30 DIEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)c(Cl)c2)c1 ZINC000301272446 336297984 /nfs/dbraw/zinc/29/79/84/336297984.db2.gz XYDMPTDZLHNERV-UHFFFAOYSA-N 1 1 313.832 4.275 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ncccc2C#N)cc1 ZINC000301986686 336341528 /nfs/dbraw/zinc/34/15/28/336341528.db2.gz KKFZIOXQRQLAEE-OAHLLOKOSA-N 1 1 306.413 4.071 20 30 DIEDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000301991135 336341866 /nfs/dbraw/zinc/34/18/66/336341866.db2.gz XYKPHBRVCBDFMZ-INIZCTEOSA-N 1 1 322.456 4.030 20 30 DIEDMO CC(C)c1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000418150551 336898104 /nfs/dbraw/zinc/89/81/04/336898104.db2.gz WFHNCWITLFXNDE-INIZCTEOSA-N 1 1 311.454 4.305 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000373801065 336972854 /nfs/dbraw/zinc/97/28/54/336972854.db2.gz QTICDCMKJATJKJ-ZDUSSCGKSA-N 1 1 323.179 4.071 20 30 DIEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)c(Cl)ccc32)o1 ZINC000373801064 336972925 /nfs/dbraw/zinc/97/29/25/336972925.db2.gz QTICDCMKJATJKJ-CYBMUJFWSA-N 1 1 323.179 4.071 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000375404371 337010422 /nfs/dbraw/zinc/01/04/22/337010422.db2.gz MCYMVKOIEPYDTN-RBUKOAKNSA-N 1 1 309.457 4.478 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000375404368 337010564 /nfs/dbraw/zinc/01/05/64/337010564.db2.gz MCYMVKOIEPYDTN-OALUTQOASA-N 1 1 309.457 4.478 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288181 337026182 /nfs/dbraw/zinc/02/61/82/337026182.db2.gz SASNIMYYWOTLSW-UWJYYQICSA-N 1 1 315.420 4.078 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000025288181 337026183 /nfs/dbraw/zinc/02/61/83/337026183.db2.gz SASNIMYYWOTLSW-UWJYYQICSA-N 1 1 315.420 4.078 20 30 DIEDMO C[C@H]([NH2+]Cc1ncoc1-c1ccccc1)c1ccc(C#N)cc1 ZINC000377358503 337051046 /nfs/dbraw/zinc/05/10/46/337051046.db2.gz NSHCNGBLEJMFDT-AWEZNQCLSA-N 1 1 303.365 4.064 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000172620675 337130358 /nfs/dbraw/zinc/13/03/58/337130358.db2.gz LLVZMAYFDOHMGZ-QGZVFWFLSA-N 1 1 304.315 4.216 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000184088238 337196164 /nfs/dbraw/zinc/19/61/64/337196164.db2.gz PIQARBAKSOERMT-SFHVURJKSA-N 1 1 324.424 4.056 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCO[C@H](CC)C1 ZINC000582991695 337223207 /nfs/dbraw/zinc/22/32/07/337223207.db2.gz AVKRUKCGTKEOEL-PKOBYXMFSA-N 1 1 319.493 4.047 20 30 DIEDMO C=CCCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000583010170 337228693 /nfs/dbraw/zinc/22/86/93/337228693.db2.gz OJSHRCPLHDQELG-AWEZNQCLSA-N 1 1 305.384 4.024 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1Cl ZINC000584484997 337349569 /nfs/dbraw/zinc/34/95/69/337349569.db2.gz KMSBCKHXZTUMHG-FUHWJXTLSA-N 1 1 321.848 4.048 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1Cl ZINC000584484999 337349579 /nfs/dbraw/zinc/34/95/79/337349579.db2.gz KMSBCKHXZTUMHG-WMZOPIPTSA-N 1 1 321.848 4.048 20 30 DIEDMO COc1cccc(F)c1[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000537158265 337902320 /nfs/dbraw/zinc/90/23/20/337902320.db2.gz UINPLMDXWLDDKC-CYBMUJFWSA-N 1 1 317.791 4.190 20 30 DIEDMO C[C@@H]([NH2+][C@H]1COc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 ZINC000537405665 337933550 /nfs/dbraw/zinc/93/35/50/337933550.db2.gz UARHVSFIKNOXPW-HWPZZCPQSA-N 1 1 316.763 4.135 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1COc2ccc(Cl)cc21)c1ccc(C#N)c(F)c1 ZINC000537405668 337933561 /nfs/dbraw/zinc/93/35/61/337933561.db2.gz UARHVSFIKNOXPW-QLJPJBMISA-N 1 1 316.763 4.135 20 30 DIEDMO COc1cc(CNc2cc[nH+]c3cc(Cl)ccc23)ccc1C#N ZINC000515423032 337988709 /nfs/dbraw/zinc/98/87/09/337988709.db2.gz RNTWERSKIFMNKB-UHFFFAOYSA-N 1 1 323.783 4.381 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000426365358 338029115 /nfs/dbraw/zinc/02/91/15/338029115.db2.gz LRFQZHAXRAEMBV-ZDUSSCGKSA-N 1 1 307.359 4.320 20 30 DIEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000428390825 338034082 /nfs/dbraw/zinc/03/40/82/338034082.db2.gz VDAATTFTRHINBE-UHFFFAOYSA-N 1 1 315.388 4.031 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000426580047 338035143 /nfs/dbraw/zinc/03/51/43/338035143.db2.gz PCYMDFNEWJPBMA-CYBMUJFWSA-N 1 1 323.362 4.133 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000426580047 338035144 /nfs/dbraw/zinc/03/51/44/338035144.db2.gz PCYMDFNEWJPBMA-CYBMUJFWSA-N 1 1 323.362 4.133 20 30 DIEDMO Cc1nc(C(C)C)oc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000428209438 338042573 /nfs/dbraw/zinc/04/25/73/338042573.db2.gz SPVJIGWKJGICIR-UHFFFAOYSA-N 1 1 311.429 4.389 20 30 DIEDMO Cc1nc(C(C)C)oc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000428292048 338045804 /nfs/dbraw/zinc/04/58/04/338045804.db2.gz WUEDHFMAPONUFV-UHFFFAOYSA-N 1 1 321.424 4.267 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(N2CCCC2)c1 ZINC000428354207 338048520 /nfs/dbraw/zinc/04/85/20/338048520.db2.gz YCRLLFORXSSPKF-HNNXBMFYSA-N 1 1 323.415 4.148 20 30 DIEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000428420926 338050642 /nfs/dbraw/zinc/05/06/42/338050642.db2.gz JMEOZUGJLHQUIX-UHFFFAOYSA-N 1 1 300.402 4.138 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2ncsc2c1 ZINC000428421020 338050693 /nfs/dbraw/zinc/05/06/93/338050693.db2.gz IGHDDNNRWAOOAS-LLVKDONJSA-N 1 1 311.385 4.158 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1cccc(F)c1C#N ZINC000428435210 338051301 /nfs/dbraw/zinc/05/13/01/338051301.db2.gz NKRIKIJSBURDMR-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO CC(C)O[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000428458766 338052889 /nfs/dbraw/zinc/05/28/89/338052889.db2.gz JFDJCPBUSAYUDU-FQEVSTJZSA-N 1 1 308.425 4.156 20 30 DIEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000428956731 338066656 /nfs/dbraw/zinc/06/66/56/338066656.db2.gz YSMXPIIFUORNHR-HIFRSBDPSA-N 1 1 314.326 4.250 20 30 DIEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000428956731 338066657 /nfs/dbraw/zinc/06/66/57/338066657.db2.gz YSMXPIIFUORNHR-HIFRSBDPSA-N 1 1 314.326 4.250 20 30 DIEDMO C=CCOCCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000429175564 338072590 /nfs/dbraw/zinc/07/25/90/338072590.db2.gz JLOCWTPFWONAMV-INIZCTEOSA-N 1 1 311.878 4.099 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1F ZINC000429264698 338075313 /nfs/dbraw/zinc/07/53/13/338075313.db2.gz NKPSZSZDXRZHFL-UHFFFAOYSA-N 1 1 302.780 4.376 20 30 DIEDMO CC[C@@H]1CC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000430205351 338101256 /nfs/dbraw/zinc/10/12/56/338101256.db2.gz MVEYLYLTRMXVSW-LJQANCHMSA-N 1 1 306.409 4.122 20 30 DIEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430216218 338101734 /nfs/dbraw/zinc/10/17/34/338101734.db2.gz IHEAYOUUFWFBLO-OAHLLOKOSA-N 1 1 310.210 4.139 20 30 DIEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1 ZINC000430216218 338101735 /nfs/dbraw/zinc/10/17/35/338101735.db2.gz IHEAYOUUFWFBLO-OAHLLOKOSA-N 1 1 310.210 4.139 20 30 DIEDMO COc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)cc1 ZINC000448518413 338148154 /nfs/dbraw/zinc/14/81/54/338148154.db2.gz CGRFLEXQTUNZIL-HXUWFJFHSA-N 1 1 309.384 4.023 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccc(F)cc2s1 ZINC000432928399 338173735 /nfs/dbraw/zinc/17/37/35/338173735.db2.gz MNPUNPRBIJEHQI-UHFFFAOYSA-N 1 1 316.401 4.259 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccc(F)cc2s1 ZINC000432928399 338173736 /nfs/dbraw/zinc/17/37/36/338173736.db2.gz MNPUNPRBIJEHQI-UHFFFAOYSA-N 1 1 316.401 4.259 20 30 DIEDMO CC(C)(C)c1cnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)o1 ZINC000433019046 338176487 /nfs/dbraw/zinc/17/64/87/338176487.db2.gz KUIBVTMJDLSSIX-INIZCTEOSA-N 1 1 311.429 4.497 20 30 DIEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000433052428 338178816 /nfs/dbraw/zinc/17/88/16/338178816.db2.gz MGTQRYIIFRIJGD-LPHOPBHVSA-N 1 1 322.456 4.084 20 30 DIEDMO C=CCc1cc(C[N@H+]2CC[C@@H]2c2ccccc2)cc(OC)c1O ZINC000434985313 338228683 /nfs/dbraw/zinc/22/86/83/338228683.db2.gz HXUPNQLPHZMMFU-GOSISDBHSA-N 1 1 309.409 4.076 20 30 DIEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)Cc1ccccc1 ZINC000437594094 338315525 /nfs/dbraw/zinc/31/55/25/338315525.db2.gz PFJFTUBTGDGJQQ-UHFFFAOYSA-N 1 1 309.438 4.326 20 30 DIEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000439432451 338369209 /nfs/dbraw/zinc/36/92/09/338369209.db2.gz UGSLPTINMCRLSH-UHFFFAOYSA-N 1 1 300.764 4.130 20 30 DIEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000439436574 338369374 /nfs/dbraw/zinc/36/93/74/338369374.db2.gz IIFMSTRKCHKICO-LLVKDONJSA-N 1 1 318.779 4.210 20 30 DIEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439454224 338369897 /nfs/dbraw/zinc/36/98/97/338369897.db2.gz RJZVKWDVPXNHSP-GJZGRUSLSA-N 1 1 308.878 4.318 20 30 DIEDMO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2C#N)cc1 ZINC000439469286 338370516 /nfs/dbraw/zinc/37/05/16/338370516.db2.gz MNPIRCXFUKFWBD-GFCCVEGCSA-N 1 1 300.402 4.270 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000442777803 338430582 /nfs/dbraw/zinc/43/05/82/338430582.db2.gz JCBDYBGSLZIEBC-RPVQJOFSSA-N 1 1 311.816 4.106 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccc(C4CC4)cc3)CCO2)c1 ZINC000459351367 339023861 /nfs/dbraw/zinc/02/38/61/339023861.db2.gz GKXHGIJWXSKAJM-OAQYLSRUSA-N 1 1 318.420 4.009 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccc(C4CC4)cc3)CCO2)c1 ZINC000459351367 339023862 /nfs/dbraw/zinc/02/38/62/339023862.db2.gz GKXHGIJWXSKAJM-OAQYLSRUSA-N 1 1 318.420 4.009 20 30 DIEDMO Cc1ccccc1[C@@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459387449 339026411 /nfs/dbraw/zinc/02/64/11/339026411.db2.gz JNVQOORIUWXINB-IBGZPJMESA-N 1 1 321.380 4.016 20 30 DIEDMO CC(C)C[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])c1ccccc1 ZINC000459461744 339030438 /nfs/dbraw/zinc/03/04/38/339030438.db2.gz GRZKXGDFYKIONU-SFHVURJKSA-N 1 1 323.396 4.343 20 30 DIEDMO C=CCOc1ccc(C[N@H+](CCC(C)(C)O)C(C)(C)C)cc1 ZINC000462318824 339075586 /nfs/dbraw/zinc/07/55/86/339075586.db2.gz YJZZITLTPZEWNL-UHFFFAOYSA-N 1 1 305.462 4.013 20 30 DIEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(Cl)cccc1C#N ZINC000462789453 339088772 /nfs/dbraw/zinc/08/87/72/339088772.db2.gz KHHRPGWRNXGEAG-AWEZNQCLSA-N 1 1 305.853 4.278 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1cc(F)ccc1C#N ZINC000464591499 339146617 /nfs/dbraw/zinc/14/66/17/339146617.db2.gz YDOFDXBLPGLXSZ-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO CCC[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000464591401 339146627 /nfs/dbraw/zinc/14/66/27/339146627.db2.gz XKFUWKLPQVXLIZ-UHFFFAOYSA-N 1 1 302.418 4.214 20 30 DIEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464743601 339150743 /nfs/dbraw/zinc/15/07/43/339150743.db2.gz ZJPXLBULRZZGPX-MGPUTAFESA-N 1 1 324.399 4.159 20 30 DIEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000464786066 339153477 /nfs/dbraw/zinc/15/34/77/339153477.db2.gz KBJPYYMZJJEVQD-FQEVSTJZSA-N 1 1 310.416 4.396 20 30 DIEDMO C=CCc1cc(CNc2[nH+]cccc2C(C)C)cc(OC)c1O ZINC000466635452 339211319 /nfs/dbraw/zinc/21/13/19/339211319.db2.gz XRWKSNHWZBNPPE-UHFFFAOYSA-N 1 1 312.413 4.260 20 30 DIEDMO Cc1ccccc1C1CC([N@@H+](CCCSCC#N)C2CC2)C1 ZINC000466729348 339214517 /nfs/dbraw/zinc/21/45/17/339214517.db2.gz ZUPNJIQMXFWDAM-UHFFFAOYSA-N 1 1 314.498 4.352 20 30 DIEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CCCSCC#N ZINC000466734475 339214813 /nfs/dbraw/zinc/21/48/13/339214813.db2.gz DJLGGHZNBMMEIS-SFHVURJKSA-N 1 1 304.503 4.285 20 30 DIEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000467285837 339229813 /nfs/dbraw/zinc/22/98/13/339229813.db2.gz LWUPJWJQXUAYJA-UHFFFAOYSA-N 1 1 308.425 4.190 20 30 DIEDMO C=CCC[N@H+](C)Cc1coc(-c2ccc(Br)cc2)n1 ZINC000467302757 339230599 /nfs/dbraw/zinc/23/05/99/339230599.db2.gz LYPIQFHCCWKORZ-UHFFFAOYSA-N 1 1 321.218 4.112 20 30 DIEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccc(Cl)cc3)CC2)o1 ZINC000467540634 339241308 /nfs/dbraw/zinc/24/13/08/339241308.db2.gz QTFSLNAQBHPGLD-UHFFFAOYSA-N 1 1 318.779 4.265 20 30 DIEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)ccc1F ZINC000468272710 339258342 /nfs/dbraw/zinc/25/83/42/339258342.db2.gz OHRZVDQGKKHOSI-GOSISDBHSA-N 1 1 312.363 4.044 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1F ZINC000468283033 339258808 /nfs/dbraw/zinc/25/88/08/339258808.db2.gz WHMRMPUQAWXTNM-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccccc1F ZINC000469136559 339281224 /nfs/dbraw/zinc/28/12/24/339281224.db2.gz UNFMWYAKZFEPBX-QUCCMNQESA-N 1 1 308.400 4.140 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(Br)s1 ZINC000469985960 339307038 /nfs/dbraw/zinc/30/70/38/339307038.db2.gz ZJLGBIMJILWXOM-JTQLQIEISA-N 1 1 321.243 4.233 20 30 DIEDMO Cc1cc[nH+]c(NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000470501805 339321066 /nfs/dbraw/zinc/32/10/66/339321066.db2.gz BKCDJJUDTNXOOP-UHFFFAOYSA-N 1 1 307.397 4.064 20 30 DIEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000472761493 339377073 /nfs/dbraw/zinc/37/70/73/339377073.db2.gz FMAOMFNOAVWMIF-AAEUAGOBSA-N 1 1 302.245 4.313 20 30 DIEDMO Cc1ccc2[nH]c(C[N@H+](C)Cc3cccc(C#N)c3)cc2c1C ZINC000473147985 339382984 /nfs/dbraw/zinc/38/29/84/339382984.db2.gz YBPCIAOAHJRIAW-UHFFFAOYSA-N 1 1 303.409 4.288 20 30 DIEDMO COc1c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)oc2ccccc21 ZINC000474033075 339397966 /nfs/dbraw/zinc/39/79/66/339397966.db2.gz KPZVMZKZUWSJNJ-GFCCVEGCSA-N 1 1 324.355 4.303 20 30 DIEDMO C=CCCOCC[NH2+][C@@H](c1cc2ccccc2o1)c1cccnc1 ZINC000498806142 340023676 /nfs/dbraw/zinc/02/36/76/340023676.db2.gz PXHNCMHEDYUTNH-HXUWFJFHSA-N 1 1 322.408 4.100 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000500229014 340053450 /nfs/dbraw/zinc/05/34/50/340053450.db2.gz LJYOQYLLUVZKRY-FQEVSTJZSA-N 1 1 308.400 4.251 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000500227641 340053533 /nfs/dbraw/zinc/05/35/33/340053533.db2.gz KTZGSRYXVRCZHO-FQEVSTJZSA-N 1 1 308.400 4.251 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000501201887 340076161 /nfs/dbraw/zinc/07/61/61/340076161.db2.gz HRJRCRHLMFCWRZ-UHFFFAOYSA-N 1 1 312.388 4.117 20 30 DIEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1csc2ccccc12 ZINC000501256366 340077313 /nfs/dbraw/zinc/07/73/13/340077313.db2.gz HGRPPKUFGCSXAN-UHFFFAOYSA-N 1 1 322.433 4.414 20 30 DIEDMO N#Cc1ccc(C2=CC[N@@H+](CCCOc3ccccc3)CC2)cc1 ZINC000502513211 340106602 /nfs/dbraw/zinc/10/66/02/340106602.db2.gz WYBXIBGDITWFEA-UHFFFAOYSA-N 1 1 318.420 4.116 20 30 DIEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502534074 340107069 /nfs/dbraw/zinc/10/70/69/340107069.db2.gz IYICFBJCNUMOKJ-INIZCTEOSA-N 1 1 313.404 4.280 20 30 DIEDMO Cc1cc(NCc2cccc(C#N)c2)c[nH+]c1N1CCCC[C@H]1C ZINC000502871473 340115216 /nfs/dbraw/zinc/11/52/16/340115216.db2.gz OZLABHWKAITPQJ-MRXNPFEDSA-N 1 1 320.440 4.253 20 30 DIEDMO C[C@H]1C[C@@]1([NH2+]Cc1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000503411966 340127661 /nfs/dbraw/zinc/12/76/61/340127661.db2.gz KLEJHOONHZVBPD-SGTLLEGYSA-N 1 1 314.791 4.376 20 30 DIEDMO C[N@@H+](Cc1cccs1)Cc1cccc(OCCCC#N)c1 ZINC000505630636 340173597 /nfs/dbraw/zinc/17/35/97/340173597.db2.gz DCFVSYRRCXBGIU-UHFFFAOYSA-N 1 1 300.427 4.063 20 30 DIEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OCC)c(OC)c1 ZINC000506011500 340183099 /nfs/dbraw/zinc/18/30/99/340183099.db2.gz CQJGCMBAPABIIQ-UHFFFAOYSA-N 1 1 317.454 4.344 20 30 DIEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)c2ccccc2)cc(OC)c1O ZINC000506017264 340183410 /nfs/dbraw/zinc/18/34/10/340183410.db2.gz PIYCGBLHFKODRE-HNNXBMFYSA-N 1 1 311.425 4.322 20 30 DIEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1C#N ZINC000506206032 340188693 /nfs/dbraw/zinc/18/86/93/340188693.db2.gz SXZZPDYTWKHVRU-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)Cc1ccccc1C#N ZINC000506206032 340188694 /nfs/dbraw/zinc/18/86/94/340188694.db2.gz SXZZPDYTWKHVRU-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO C=CCOc1ccccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000506258578 340190303 /nfs/dbraw/zinc/19/03/03/340190303.db2.gz IRCKYNQURRKRGA-UHFFFAOYSA-N 1 1 321.420 4.246 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OC(F)(F)F ZINC000506338156 340192656 /nfs/dbraw/zinc/19/26/56/340192656.db2.gz BCGWHHZTCURSQL-UHFFFAOYSA-N 1 1 320.314 4.089 20 30 DIEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000506481749 340195418 /nfs/dbraw/zinc/19/54/18/340195418.db2.gz QFDNOLWIKITPAV-INIZCTEOSA-N 1 1 308.425 4.020 20 30 DIEDMO Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000507203272 340212984 /nfs/dbraw/zinc/21/29/84/340212984.db2.gz MQXDGAPTGIUGEU-INIZCTEOSA-N 1 1 318.424 4.016 20 30 DIEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000507212831 340213765 /nfs/dbraw/zinc/21/37/65/340213765.db2.gz PAOOADDXSDVDEY-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO CC(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000507217569 340214281 /nfs/dbraw/zinc/21/42/81/340214281.db2.gz XMIZLIMJWNYGCI-UHFFFAOYSA-N 1 1 323.396 4.222 20 30 DIEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000507377485 340218407 /nfs/dbraw/zinc/21/84/07/340218407.db2.gz WVFJBNAXPXYACK-NSHDSACASA-N 1 1 308.303 4.363 20 30 DIEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1 ZINC000508468367 340244232 /nfs/dbraw/zinc/24/42/32/340244232.db2.gz QXNIVSCDSBZKMP-UHFFFAOYSA-N 1 1 321.424 4.042 20 30 DIEDMO CCOc1ccc(C[N@@H+](Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000508540280 340246150 /nfs/dbraw/zinc/24/61/50/340246150.db2.gz CAAFVRCGXPXPSA-UHFFFAOYSA-N 1 1 314.454 4.429 20 30 DIEDMO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508603984 340247655 /nfs/dbraw/zinc/24/76/55/340247655.db2.gz KWYNNOTYNOEXCW-OAHLLOKOSA-N 1 1 323.396 4.358 20 30 DIEDMO CC[N@@H+](Cc1cc(OC)cc(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508602894 340247661 /nfs/dbraw/zinc/24/76/61/340247661.db2.gz GXWXCXVTTINCGS-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000508664965 340249934 /nfs/dbraw/zinc/24/99/34/340249934.db2.gz KSHBZOARHXNSRJ-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000509006190 340257987 /nfs/dbraw/zinc/25/79/87/340257987.db2.gz IIOFYKQRBRFVMA-NSHDSACASA-N 1 1 304.381 4.308 20 30 DIEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)[C@@H]1C ZINC000509009060 340258040 /nfs/dbraw/zinc/25/80/40/340258040.db2.gz 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340314389 /nfs/dbraw/zinc/31/43/89/340314389.db2.gz KMGOGKDMKIYNJL-UHFFFAOYSA-N 1 1 324.399 4.093 20 30 DIEDMO N#CC1(C[N@@H+](Cc2ccccc2C(F)(F)F)CC2CC2)CC1 ZINC000511058035 340319704 /nfs/dbraw/zinc/31/97/04/340319704.db2.gz DAOPSLFSKHMAKC-UHFFFAOYSA-N 1 1 308.347 4.221 20 30 DIEDMO C=CC[N@H+](CC(=O)Nc1cccc(C)c1C)CC1CCCCC1 ZINC000303426934 340325265 /nfs/dbraw/zinc/32/52/65/340325265.db2.gz CDTVUKIYPLBNFA-UHFFFAOYSA-N 1 1 314.473 4.310 20 30 DIEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2C#N)cc1 ZINC000303552585 340333268 /nfs/dbraw/zinc/33/32/68/340333268.db2.gz HGNGBZFCLVZQHA-FQEVSTJZSA-N 1 1 308.400 4.213 20 30 DIEDMO N#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000511843781 340340100 /nfs/dbraw/zinc/34/01/00/340340100.db2.gz ONHOPVBJZYTYEV-NJDAHSKKSA-N 1 1 302.421 4.326 20 30 DIEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC000511875320 340341269 /nfs/dbraw/zinc/34/12/69/340341269.db2.gz RTOAJQLNQXOLEQ-IRXDYDNUSA-N 1 1 301.430 4.025 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nn(CCC)c1C ZINC000512030071 340345950 /nfs/dbraw/zinc/34/59/50/340345950.db2.gz GVRMJWOBPWWLHH-UHFFFAOYSA-N 1 1 311.473 4.141 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000512169451 340350525 /nfs/dbraw/zinc/35/05/25/340350525.db2.gz XISNWGOCTYAEJU-UHFFFAOYSA-N 1 1 305.805 4.004 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000512169451 340350526 /nfs/dbraw/zinc/35/05/26/340350526.db2.gz XISNWGOCTYAEJU-UHFFFAOYSA-N 1 1 305.805 4.004 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512292473 340355831 /nfs/dbraw/zinc/35/58/31/340355831.db2.gz PQDKHCACHFCPNV-OAHLLOKOSA-N 1 1 306.409 4.292 20 30 DIEDMO CCOc1ccccc1C1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC000512375684 340359329 /nfs/dbraw/zinc/35/93/29/340359329.db2.gz WOICWFVRCNJZHJ-UHFFFAOYSA-N 1 1 318.420 4.246 20 30 DIEDMO CCOc1ccccc1C1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000512375684 340359330 /nfs/dbraw/zinc/35/93/30/340359330.db2.gz WOICWFVRCNJZHJ-UHFFFAOYSA-N 1 1 318.420 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DIEDMO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1nc(C)cs1 ZINC000543485055 341046945 /nfs/dbraw/zinc/04/69/45/341046945.db2.gz HIZAVYMCAMRIEB-OAHLLOKOSA-N 1 1 304.846 4.197 20 30 DIEDMO C=CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000543632871 341052176 /nfs/dbraw/zinc/05/21/76/341052176.db2.gz YWNBOSBIQXBLGI-UHFFFAOYSA-N 1 1 305.315 4.165 20 30 DIEDMO Cc1ccc(-c2ncc(C[N@@H+](C)Cc3ccc(C#N)cc3)s2)o1 ZINC000131202470 341065151 /nfs/dbraw/zinc/06/51/51/341065151.db2.gz OSZBLORDVZHGFN-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO Cc1ccc(-c2ncc(C[N@H+](C)Cc3ccc(C#N)cc3)s2)o1 ZINC000131202470 341065152 /nfs/dbraw/zinc/06/51/52/341065152.db2.gz OSZBLORDVZHGFN-UHFFFAOYSA-N 1 1 323.421 4.215 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc(C#N)cs2)c1 ZINC000544367273 341078396 /nfs/dbraw/zinc/07/83/96/341078396.db2.gz UTOGDPKSNQAEQA-UGSOOPFHSA-N 1 1 312.438 4.211 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc([N+](=O)[O-])cc1C ZINC000544604318 341088240 /nfs/dbraw/zinc/08/82/40/341088240.db2.gz 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/nfs/dbraw/zinc/10/36/91/341103691.db2.gz PTIIJRLVQCSAPR-OAHLLOKOSA-N 1 1 308.878 4.370 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@H+](CCC(C)(C)C#N)[C@H](C)CO2)c1 ZINC000131713277 341109582 /nfs/dbraw/zinc/10/95/82/341109582.db2.gz KRATXPPPEALLEU-SJLPKXTDSA-N 1 1 300.446 4.005 20 30 DIEDMO Cc1ccc(C)c([C@H]2C[N@@H+](CCC(C)(C)C#N)[C@H](C)CO2)c1 ZINC000131713277 341109583 /nfs/dbraw/zinc/10/95/83/341109583.db2.gz KRATXPPPEALLEU-SJLPKXTDSA-N 1 1 300.446 4.005 20 30 DIEDMO CC[C@@H](CC#N)[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000545163287 341110791 /nfs/dbraw/zinc/11/07/91/341110791.db2.gz GTMOPSMKEBEDEE-ZDUSSCGKSA-N 1 1 304.340 4.223 20 30 DIEDMO FC(F)(F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)CC12CCC2 ZINC000548934604 341281631 /nfs/dbraw/zinc/28/16/31/341281631.db2.gz LROQIYMSBWLURB-MRXNPFEDSA-N 1 1 307.359 4.093 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000549077877 341285553 /nfs/dbraw/zinc/28/55/53/341285553.db2.gz HGLXLKDFDMVZES-IFXJQAMLSA-N 1 1 312.363 4.329 20 30 DIEDMO 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C=CCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001167646789 1039079585 /nfs/dbraw/zinc/07/95/85/1039079585.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 1 1 312.501 4.329 20 30 DIEDMO C=CCCCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001167646789 1039079604 /nfs/dbraw/zinc/07/96/04/1039079604.db2.gz GSKJDLNHYOJYMF-RTWAWAEBSA-N 1 1 312.501 4.329 20 30 DIEDMO CC1CCC([N@@H+](CCCC#N)Cc2ccc3c(c2)OCO3)CC1 ZINC000343013237 1039102592 /nfs/dbraw/zinc/10/25/92/1039102592.db2.gz YQVNLMMQNIBKRX-UHFFFAOYSA-N 1 1 314.429 4.100 20 30 DIEDMO C[C@@H]1Cc2ccc(Br)cc2C[N@@H+]1CCC(C)(C)C#N ZINC000539614729 1039299913 /nfs/dbraw/zinc/29/99/13/1039299913.db2.gz VULYWHIOSQGSIR-GFCCVEGCSA-N 1 1 321.262 4.136 20 30 DIEDMO C[C@@H]1Cc2ccc(Br)cc2C[N@H+]1CCC(C)(C)C#N ZINC000539614729 1039299921 /nfs/dbraw/zinc/29/99/21/1039299921.db2.gz VULYWHIOSQGSIR-GFCCVEGCSA-N 1 1 321.262 4.136 20 30 DIEDMO C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)c1cccc(Br)c1 ZINC000539825464 1039345069 /nfs/dbraw/zinc/34/50/69/1039345069.db2.gz 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ZINC000540198169 1039455537 /nfs/dbraw/zinc/45/55/37/1039455537.db2.gz FXYHKSKRVFCNQC-OAHLLOKOSA-N 1 1 315.404 4.130 20 30 DIEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1F ZINC000540350177 1039484417 /nfs/dbraw/zinc/48/44/17/1039484417.db2.gz LMRCGFMTXCSGDV-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(C#N)cc1 ZINC000340487719 1039513696 /nfs/dbraw/zinc/51/36/96/1039513696.db2.gz MIYCVEFRYIVXEQ-QGZVFWFLSA-N 1 1 304.315 4.216 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2nc3cc(Cl)ccc3s2)s1 ZINC000540595704 1039523979 /nfs/dbraw/zinc/52/39/79/1039523979.db2.gz QIXJPRSLDHDROW-UHFFFAOYSA-N 1 1 319.842 4.173 20 30 DIEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000540663878 1039539851 /nfs/dbraw/zinc/53/98/51/1039539851.db2.gz PEXQXVLCCKSPBP-CYBMUJFWSA-N 1 1 315.392 4.086 20 30 DIEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000153002464 1039584391 /nfs/dbraw/zinc/58/43/91/1039584391.db2.gz JSSBUGRPTMKNDZ-ZDUSSCGKSA-N 1 1 310.844 4.170 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)[C@@H]2C ZINC000540995111 1039607492 /nfs/dbraw/zinc/60/74/92/1039607492.db2.gz NPHGEPKSVYXNTK-HUUCEWRRSA-N 1 1 306.409 4.075 20 30 DIEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000135256205 1039665295 /nfs/dbraw/zinc/66/52/95/1039665295.db2.gz AANCJZKFZRGYQS-FQEVSTJZSA-N 1 1 322.452 4.043 20 30 DIEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135211956 1039667175 /nfs/dbraw/zinc/66/71/75/1039667175.db2.gz FMSFXASCKMJPOO-HNNXBMFYSA-N 1 1 308.425 4.386 20 30 DIEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135211979 1039667215 /nfs/dbraw/zinc/66/72/15/1039667215.db2.gz FMSFXASCKMJPOO-OAHLLOKOSA-N 1 1 308.425 4.386 20 30 DIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CCC#N)c1 ZINC000541331137 1039669150 /nfs/dbraw/zinc/66/91/50/1039669150.db2.gz YCRDAEHIYDTSII-VQTJNVASSA-N 1 1 306.409 4.139 20 30 DIEDMO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCC#N)c1 ZINC000541331137 1039669156 /nfs/dbraw/zinc/66/91/56/1039669156.db2.gz YCRDAEHIYDTSII-VQTJNVASSA-N 1 1 306.409 4.139 20 30 DIEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000584318641 1039672534 /nfs/dbraw/zinc/67/25/34/1039672534.db2.gz SZHBNRNOWCNCER-GFCCVEGCSA-N 1 1 322.330 4.233 20 30 DIEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000541349757 1039672515 /nfs/dbraw/zinc/67/25/15/1039672515.db2.gz RMUUMOHACDPMNM-LAUBAEHRSA-N 1 1 320.436 4.023 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)c(F)c1 ZINC000136071372 1039714613 /nfs/dbraw/zinc/71/46/13/1039714613.db2.gz QUEONFOZELBBMH-UHFFFAOYSA-N 1 1 315.417 4.101 20 30 DIEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1cccc(C#N)c1)[C@H]2C ZINC000541922196 1039762396 /nfs/dbraw/zinc/76/23/96/1039762396.db2.gz QPRZEUKVSCCBLI-GJZGRUSLSA-N 1 1 306.409 4.075 20 30 DIEDMO CC[N@@H+](Cc1ccc2c(c1)ncn2C)[C@@H](C)c1ccc(C#N)cc1 ZINC000271753180 1039810095 /nfs/dbraw/zinc/81/00/95/1039810095.db2.gz WJTPSFHAJXHVJP-HNNXBMFYSA-N 1 1 318.424 4.028 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491397675 1039840956 /nfs/dbraw/zinc/84/09/56/1039840956.db2.gz QSZUENWTVPFIMD-UHFFFAOYSA-N 1 1 322.408 4.474 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000491397675 1039840974 /nfs/dbraw/zinc/84/09/74/1039840974.db2.gz QSZUENWTVPFIMD-UHFFFAOYSA-N 1 1 322.408 4.474 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccc1OC ZINC000784345751 1039866207 /nfs/dbraw/zinc/86/62/07/1039866207.db2.gz HRADNFQHJOHYTF-QGZVFWFLSA-N 1 1 314.816 4.461 20 30 DIEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000030150817 1039872339 /nfs/dbraw/zinc/87/23/39/1039872339.db2.gz CEIOPVPJNFVHAF-AUUYWEPGSA-N 1 1 306.409 4.439 20 30 DIEDMO CC(C)(CC#N)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000926570517 1039894676 /nfs/dbraw/zinc/89/46/76/1039894676.db2.gz WOOAFZREGYGGGI-KRWDZBQOSA-N 1 1 313.832 4.354 20 30 DIEDMO CC(C)c1csc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000271932740 1039906085 /nfs/dbraw/zinc/90/60/85/1039906085.db2.gz IZBSXJBCXMDFFS-LLVKDONJSA-N 1 1 303.406 4.128 20 30 DIEDMO CC[N@@H+](Cc1cccc(COC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179201209 1040057701 /nfs/dbraw/zinc/05/77/01/1040057701.db2.gz HHGKRKCHMBTSPX-INIZCTEOSA-N 1 1 308.425 4.288 20 30 DIEDMO C=CC[NH+]1CCC(N[C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000177313522 1040117650 /nfs/dbraw/zinc/11/76/50/1040117650.db2.gz SZKHHRSZQOWYNU-OAQYLSRUSA-N 1 1 324.443 4.155 20 30 DIEDMO C=CCOc1ccc(C[N@@H+](Cc2ncc(C)o2)C(C)(C)C)cc1 ZINC000177848384 1040142072 /nfs/dbraw/zinc/14/20/72/1040142072.db2.gz TXZGLBRFLFSDDI-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO C=CCOc1ccc(C[N@H+](Cc2ncc(C)o2)C(C)(C)C)cc1 ZINC000177848384 1040142085 /nfs/dbraw/zinc/14/20/85/1040142085.db2.gz TXZGLBRFLFSDDI-UHFFFAOYSA-N 1 1 314.429 4.349 20 30 DIEDMO C=CCCc1ccccc1NC(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000569747016 1040538233 /nfs/dbraw/zinc/53/82/33/1040538233.db2.gz MAPUVPIQXKXCDE-MRXNPFEDSA-N 1 1 317.477 4.047 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000318401955 1040614502 /nfs/dbraw/zinc/61/45/02/1040614502.db2.gz JKFQPRDLUSARNC-KSZLIROESA-N 1 1 306.494 4.112 20 30 DIEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000236691373 1040646961 /nfs/dbraw/zinc/64/69/61/1040646961.db2.gz PSWCZJXLZKPKFB-UHFFFAOYSA-N 1 1 310.441 4.077 20 30 DIEDMO C[C@@H](CC#N)[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000612584625 1040647911 /nfs/dbraw/zinc/64/79/11/1040647911.db2.gz UEEQJRPHDUDFFN-QMMMGPOBSA-N 1 1 310.241 4.116 20 30 DIEDMO CC1(C)C[C@@H](Nc2ccc(CC#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000612691799 1040682120 /nfs/dbraw/zinc/68/21/20/1040682120.db2.gz GFEQQIKQTKCXOB-HXUWFJFHSA-N 1 1 319.452 4.218 20 30 DIEDMO CCCC[N@H+]1Cc2ccc(N=Cc3cccc(OC)c3O)cc2C1 ZINC000255873764 1040727433 /nfs/dbraw/zinc/72/74/33/1040727433.db2.gz SENRSLHSTQQJBB-UHFFFAOYSA-N 1 1 324.424 4.267 20 30 DIEDMO COc1ccc(C[NH+]2CCC(c3cccs3)CC2)c(C#N)c1 ZINC001137703590 1040738336 /nfs/dbraw/zinc/73/83/36/1040738336.db2.gz PXLNGFPOJIBCHW-UHFFFAOYSA-N 1 1 312.438 4.008 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000661378280 1040770209 /nfs/dbraw/zinc/77/02/09/1040770209.db2.gz BPBAYMIXQACQCU-CHWSQXEVSA-N 1 1 303.431 4.147 20 30 DIEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222603 1040846740 /nfs/dbraw/zinc/84/67/40/1040846740.db2.gz FHFMITFXJGYNMQ-NSHDSACASA-N 1 1 308.303 4.363 20 30 DIEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000581222603 1040846753 /nfs/dbraw/zinc/84/67/53/1040846753.db2.gz FHFMITFXJGYNMQ-NSHDSACASA-N 1 1 308.303 4.363 20 30 DIEDMO CC(C)(C)c1ccc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000581576888 1040865785 /nfs/dbraw/zinc/86/57/85/1040865785.db2.gz BFCZPZWVVLTQKL-UHFFFAOYSA-N 1 1 313.470 4.337 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nc([C@H](C)SCC)no2)CCCC1(C)C ZINC000444791418 1040959726 /nfs/dbraw/zinc/95/97/26/1040959726.db2.gz MRKLWVBHLWFVTI-UONOGXRCSA-N 1 1 323.506 4.450 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@H](C)SCC)no2)CCCC1(C)C ZINC000444791418 1040959747 /nfs/dbraw/zinc/95/97/47/1040959747.db2.gz MRKLWVBHLWFVTI-UONOGXRCSA-N 1 1 323.506 4.450 20 30 DIEDMO CC[N@@H+](CCCCCn1cc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000170884477 1041073571 /nfs/dbraw/zinc/07/35/71/1041073571.db2.gz CCBWAMIMTWTWMV-GOSISDBHSA-N 1 1 324.472 4.317 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000102681417 1041145320 /nfs/dbraw/zinc/14/53/20/1041145320.db2.gz QZUZSWPLCWBZGA-GFCCVEGCSA-N 1 1 305.809 4.349 20 30 DIEDMO C#Cc1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000809567590 1041187646 /nfs/dbraw/zinc/18/76/46/1041187646.db2.gz KNJPFRVHFKBNDQ-UHFFFAOYSA-N 1 1 317.388 4.169 20 30 DIEDMO C#Cc1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000809567590 1041187655 /nfs/dbraw/zinc/18/76/55/1041187655.db2.gz KNJPFRVHFKBNDQ-UHFFFAOYSA-N 1 1 317.388 4.169 20 30 DIEDMO C#Cc1ccc(C[N@@H+](CCCCOC)Cc2ccccc2)cc1 ZINC000809552911 1041192190 /nfs/dbraw/zinc/19/21/90/1041192190.db2.gz SVIRFHXMPOAZEU-UHFFFAOYSA-N 1 1 307.437 4.097 20 30 DIEDMO CCc1ccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)cc1 ZINC000616811929 1041208257 /nfs/dbraw/zinc/20/82/57/1041208257.db2.gz BYRXBRHUEFEFQI-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO CCc1ccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)cc1 ZINC000616811929 1041208276 /nfs/dbraw/zinc/20/82/76/1041208276.db2.gz BYRXBRHUEFEFQI-NRFANRHFSA-N 1 1 320.436 4.003 20 30 DIEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000809686200 1041223229 /nfs/dbraw/zinc/22/32/29/1041223229.db2.gz AESGOEFSXQQSPR-CYBMUJFWSA-N 1 1 324.371 4.330 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1ccc(C#N)s1)[C@H]2C ZINC000540994856 1041227259 /nfs/dbraw/zinc/22/72/59/1041227259.db2.gz CKDGPRPXFIHIFI-OLZOCXBDSA-N 1 1 312.438 4.136 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1ccc(C#N)s1)[C@H]2C ZINC000540994856 1041227274 /nfs/dbraw/zinc/22/72/74/1041227274.db2.gz CKDGPRPXFIHIFI-OLZOCXBDSA-N 1 1 312.438 4.136 20 30 DIEDMO C#CCCOc1ccc(C[N@H+](CC)[C@@H](C)c2cccnc2)cc1 ZINC000809766110 1041250785 /nfs/dbraw/zinc/25/07/85/1041250785.db2.gz VCRPONVEYDXRPK-KRWDZBQOSA-N 1 1 308.425 4.067 20 30 DIEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356420855 1041269464 /nfs/dbraw/zinc/26/94/64/1041269464.db2.gz TWPSQWGTAIZAEY-LBPRGKRZSA-N 1 1 319.330 4.165 20 30 DIEDMO CC(C)[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cc2ccccc2o1 ZINC000810144363 1041321005 /nfs/dbraw/zinc/32/10/05/1041321005.db2.gz WTLQWNRLFNFROT-QGZVFWFLSA-N 1 1 311.410 4.248 20 30 DIEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC000128324961 1041408377 /nfs/dbraw/zinc/40/83/77/1041408377.db2.gz AYHSMYJJVMMQLO-GOSISDBHSA-N 1 1 311.454 4.023 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000150900840 1041464810 /nfs/dbraw/zinc/46/48/10/1041464810.db2.gz LAWDKGIQMKHDOJ-UHFFFAOYSA-N 1 1 300.450 4.190 20 30 DIEDMO C#CC[N@@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C1CCCC1 ZINC000747661010 1041467911 /nfs/dbraw/zinc/46/79/11/1041467911.db2.gz XDESNPDKRYWLPS-UHFFFAOYSA-N 1 1 324.424 4.118 20 30 DIEDMO C#CC[N@H+](Cc1coc(-c2ccc(OCC)cc2)n1)C1CCCC1 ZINC000747661010 1041467914 /nfs/dbraw/zinc/46/79/14/1041467914.db2.gz XDESNPDKRYWLPS-UHFFFAOYSA-N 1 1 324.424 4.118 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1 ZINC000728711947 1041479162 /nfs/dbraw/zinc/47/91/62/1041479162.db2.gz RGDPPTKRDSKPCT-CHWSQXEVSA-N 1 1 316.351 4.106 20 30 DIEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccnc(Cl)c1Cl ZINC000811496824 1041525924 /nfs/dbraw/zinc/52/59/24/1041525924.db2.gz NDYNOCGSIKETNN-AWEZNQCLSA-N 1 1 318.207 4.037 20 30 DIEDMO C#C[C@@H]([NH2+]Cc1cccc(OCC=C)c1)c1ccc(Cl)cc1 ZINC000811516285 1041534441 /nfs/dbraw/zinc/53/44/41/1041534441.db2.gz IVEYDLMCMAIGFL-LJQANCHMSA-N 1 1 311.812 4.369 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2cc3ccccc3o2)C2CC2)cc1 ZINC000541388553 1041570205 /nfs/dbraw/zinc/57/02/05/1041570205.db2.gz ITNXGSVAXWLZQU-UHFFFAOYSA-N 1 1 302.377 4.469 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505783 1041598302 /nfs/dbraw/zinc/59/83/02/1041598302.db2.gz NKAWWANMZOYREC-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(F)(F)F)C1 ZINC001143505783 1041598306 /nfs/dbraw/zinc/59/83/06/1041598306.db2.gz NKAWWANMZOYREC-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO CC(=[NH+]Nc1ccc(OC(F)(F)F)cc1)c1ccc(N)cc1 ZINC000812461426 1041624152 /nfs/dbraw/zinc/62/41/52/1041624152.db2.gz TXLGZFCWSVIGMZ-UHFFFAOYSA-N 1 1 309.291 4.004 20 30 DIEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812849047 1041656413 /nfs/dbraw/zinc/65/64/13/1041656413.db2.gz FWBNNIWGGLXYIW-FUHWJXTLSA-N 1 1 302.462 4.150 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167754614 1041751342 /nfs/dbraw/zinc/75/13/42/1041751342.db2.gz ZYZXMENDMMCFGD-MRXNPFEDSA-N 1 1 323.440 4.495 20 30 DIEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(N(C)CCC#N)cc3)C2)C1 ZINC000781929188 1041774435 /nfs/dbraw/zinc/77/44/35/1041774435.db2.gz GUOWETRWLGTHRQ-YLJYHZDGSA-N 1 1 311.473 4.049 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814164939 1041781947 /nfs/dbraw/zinc/78/19/47/1041781947.db2.gz HUCFFBTXNWCTQJ-IBGZPJMESA-N 1 1 308.510 4.071 20 30 DIEDMO C#CCCOc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171893 1041783193 /nfs/dbraw/zinc/78/31/93/1041783193.db2.gz YGYJXFQAQWIHMY-FQEVSTJZSA-N 1 1 320.436 4.067 20 30 DIEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1 ZINC000814171893 1041783200 /nfs/dbraw/zinc/78/32/00/1041783200.db2.gz YGYJXFQAQWIHMY-FQEVSTJZSA-N 1 1 320.436 4.067 20 30 DIEDMO Clc1ccc(CN[NH+]=C2CC[C@@H]3CNc4cccc2c43)cc1 ZINC000814875730 1041882443 /nfs/dbraw/zinc/88/24/43/1041882443.db2.gz UKBFDHRCMBDQRA-CYBMUJFWSA-N 1 1 311.816 4.137 20 30 DIEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1ccccc1C(C)(C)C#N ZINC000093223803 1041903382 /nfs/dbraw/zinc/90/33/82/1041903382.db2.gz XYLHMOWCACQUFN-UHFFFAOYSA-N 1 1 307.441 4.293 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1cccc2ccccc21 ZINC000815052064 1041905488 /nfs/dbraw/zinc/90/54/88/1041905488.db2.gz BIAUXHMISBSPEX-IBGZPJMESA-N 1 1 310.441 4.135 20 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/nfs/dbraw/zinc/93/31/84/1041933184.db2.gz LHRQXWOKKOQRGY-IRXDYDNUSA-N 1 1 322.493 4.064 20 30 DIEDMO N#CC1(C[NH2+]Cc2cc(Br)cs2)CCCCC1 ZINC000594993654 1041944986 /nfs/dbraw/zinc/94/49/86/1041944986.db2.gz FHSOZJKPTLGSJP-UHFFFAOYSA-N 1 1 313.264 4.074 20 30 DIEDMO C=CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C ZINC000661755579 1041991073 /nfs/dbraw/zinc/99/10/73/1041991073.db2.gz VAFUOFUOIXMNIK-UHFFFAOYSA-N 1 1 323.440 4.024 20 30 DIEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000093872515 1042079424 /nfs/dbraw/zinc/07/94/24/1042079424.db2.gz UVEZMEZDKRKIEY-TZIWHRDSSA-N 1 1 315.420 4.440 20 30 DIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000128644764 1042152185 /nfs/dbraw/zinc/15/21/85/1042152185.db2.gz AWGLZKMVKJAKAU-UHFFFAOYSA-N 1 1 317.392 4.230 20 30 DIEDMO Cc1[nH]c2ccccc2c1C1=CC[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000128644764 1042152191 /nfs/dbraw/zinc/15/21/91/1042152191.db2.gz AWGLZKMVKJAKAU-UHFFFAOYSA-N 1 1 317.392 4.230 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1CCc3cccc(Cl)c3C1)CC2 ZINC001170916380 1042162889 /nfs/dbraw/zinc/16/28/89/1042162889.db2.gz CQFXUZXRZRPRQZ-SFHVURJKSA-N 1 1 322.839 4.127 20 30 DIEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCc3cccc(Cl)c3C1)C2 ZINC001170922298 1042169512 /nfs/dbraw/zinc/16/95/12/1042169512.db2.gz YFUGASRMAOKUEJ-SFHVURJKSA-N 1 1 322.839 4.127 20 30 DIEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000609487596 1042225611 /nfs/dbraw/zinc/22/56/11/1042225611.db2.gz KGLZSGFTKSZQNJ-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000609487596 1042225619 /nfs/dbraw/zinc/22/56/19/1042225619.db2.gz KGLZSGFTKSZQNJ-UHFFFAOYSA-N 1 1 314.351 4.347 20 30 DIEDMO CC(C)(C#N)C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000585767204 1042245068 /nfs/dbraw/zinc/24/50/68/1042245068.db2.gz QWLFEGTUULGLLR-UHFFFAOYSA-N 1 1 305.834 4.103 20 30 DIEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(-c2ccncc2)cc1 ZINC000163032375 1042306644 /nfs/dbraw/zinc/30/66/44/1042306644.db2.gz FWKILMIXFOXMAK-INIZCTEOSA-N 1 1 313.404 4.471 20 30 DIEDMO C[C@@H]1c2ccccc2OCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167866899 1042306706 /nfs/dbraw/zinc/30/67/06/1042306706.db2.gz BNIMXNFLZGYHHB-OAHLLOKOSA-N 1 1 311.812 4.147 20 30 DIEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001167866899 1042306708 /nfs/dbraw/zinc/30/67/08/1042306708.db2.gz BNIMXNFLZGYHHB-OAHLLOKOSA-N 1 1 311.812 4.147 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cnn(CC(F)(F)F)c2)CCCC1(C)C ZINC000446857090 1042331232 /nfs/dbraw/zinc/33/12/32/1042331232.db2.gz SCVFVICYCKCDES-CQSZACIVSA-N 1 1 315.383 4.012 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000823617183 1042335780 /nfs/dbraw/zinc/33/57/80/1042335780.db2.gz GNEZSURYWIBHBO-NSHDSACASA-N 1 1 320.223 4.453 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000823617183 1042335788 /nfs/dbraw/zinc/33/57/88/1042335788.db2.gz GNEZSURYWIBHBO-NSHDSACASA-N 1 1 320.223 4.453 20 30 DIEDMO COc1ccc(CC[N@@H+](CCCC#N)Cc2ccccc2)cc1 ZINC000339710784 1042386399 /nfs/dbraw/zinc/38/63/99/1042386399.db2.gz PABAPHJKDKZYLN-UHFFFAOYSA-N 1 1 308.425 4.044 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000573732146 1042412941 /nfs/dbraw/zinc/41/29/41/1042412941.db2.gz ICTJRFBFCPUOIP-KKSFZXQISA-N 1 1 318.420 4.089 20 30 DIEDMO CCC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCCO1 ZINC000614174120 1042421192 /nfs/dbraw/zinc/42/11/92/1042421192.db2.gz IENSVHGAOYTAFK-LJQANCHMSA-N 1 1 314.473 4.269 20 30 DIEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171394 1042421544 /nfs/dbraw/zinc/42/15/44/1042421544.db2.gz VUGVNBZGHISJBQ-MRXNPFEDSA-N 1 1 322.452 4.256 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000614177566 1042422613 /nfs/dbraw/zinc/42/26/13/1042422613.db2.gz YITHYIIWJVNKOS-LJQANCHMSA-N 1 1 305.425 4.220 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614183056 1042424292 /nfs/dbraw/zinc/42/42/92/1042424292.db2.gz VMLVXTJKPQCLFH-UHFFFAOYSA-N 1 1 308.425 4.311 20 30 DIEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)cs1 ZINC000614184999 1042424758 /nfs/dbraw/zinc/42/47/58/1042424758.db2.gz FZBDMQYPZBDLAH-CYBMUJFWSA-N 1 1 313.470 4.357 20 30 DIEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)s1 ZINC000614185114 1042425031 /nfs/dbraw/zinc/42/50/31/1042425031.db2.gz PAPWCAFBLRYJGF-UHFFFAOYSA-N 1 1 313.470 4.278 20 30 DIEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614186107 1042425814 /nfs/dbraw/zinc/42/58/14/1042425814.db2.gz WGDNTIUYPFNSSZ-KRWDZBQOSA-N 1 1 314.473 4.126 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419329032 1042471357 /nfs/dbraw/zinc/47/13/57/1042471357.db2.gz GEOLRZVIZQELLX-SJORKVTESA-N 1 1 306.494 4.234 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000614403108 1042491900 /nfs/dbraw/zinc/49/19/00/1042491900.db2.gz DHQZQPRSOGPBLM-UHFFFAOYSA-N 1 1 313.404 4.028 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000614402116 1042492073 /nfs/dbraw/zinc/49/20/73/1042492073.db2.gz KWDCLQVPVRDEOZ-NHCUHLMSSA-N 1 1 315.420 4.138 20 30 DIEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)ccc1C#N ZINC000389888811 1042496973 /nfs/dbraw/zinc/49/69/73/1042496973.db2.gz MXVLDTJJFJYFSI-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000513402646 1042539691 /nfs/dbraw/zinc/53/96/91/1042539691.db2.gz YKLQNBYSHVNMLI-SFHVURJKSA-N 1 1 310.828 4.419 20 30 DIEDMO COc1cc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC000614493859 1042563517 /nfs/dbraw/zinc/56/35/17/1042563517.db2.gz ZYJWNLGQEQPUCX-MRXNPFEDSA-N 1 1 308.425 4.377 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000126331299 1042580109 /nfs/dbraw/zinc/58/01/09/1042580109.db2.gz NJBAHJACFAMDGZ-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000126331299 1042580111 /nfs/dbraw/zinc/58/01/11/1042580111.db2.gz NJBAHJACFAMDGZ-JXFKEZNVSA-N 1 1 306.409 4.001 20 30 DIEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC(C)(C)C#N ZINC000420935797 1042615625 /nfs/dbraw/zinc/61/56/25/1042615625.db2.gz YNOQROHAYACVMB-HOTGVXAUSA-N 1 1 322.493 4.149 20 30 DIEDMO N#CCCCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC000420974986 1042619807 /nfs/dbraw/zinc/61/98/07/1042619807.db2.gz OXXBKULAMDFDOS-HNNXBMFYSA-N 1 1 321.262 4.150 20 30 DIEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000513739102 1042623571 /nfs/dbraw/zinc/62/35/71/1042623571.db2.gz DKHFTFJCKJKFCM-UHFFFAOYSA-N 1 1 308.425 4.337 20 30 DIEDMO C[C@H](C[N@@H+](CCC#N)CC1CC1)c1cccc(Br)c1 ZINC000513741428 1042625074 /nfs/dbraw/zinc/62/50/74/1042625074.db2.gz MZBVQRYSOWNXKN-CYBMUJFWSA-N 1 1 321.262 4.178 20 30 DIEDMO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1ccsc1 ZINC000421368038 1042632547 /nfs/dbraw/zinc/63/25/47/1042632547.db2.gz FSBHCOKOGJOELV-CQSZACIVSA-N 1 1 324.453 4.239 20 30 DIEDMO CC[C@H]1c2ccsc2CC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000016420403 1042639077 /nfs/dbraw/zinc/63/90/77/1042639077.db2.gz DWJFCSLKSRTEON-KRWDZBQOSA-N 1 1 312.438 4.008 20 30 DIEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000423247978 1042702749 /nfs/dbraw/zinc/70/27/49/1042702749.db2.gz RAVFWYZYAKRRAX-FOIQADDNSA-N 1 1 307.441 4.032 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1C(C)=CCC[C@H]1C ZINC000515017421 1042806071 /nfs/dbraw/zinc/80/60/71/1042806071.db2.gz AFRSCMDSLDXUBV-VQIMIIECSA-N 1 1 303.446 4.142 20 30 DIEDMO N#Cc1c(C[N@H+]2CCC[C@H]2Cc2ccccc2)cn2ccccc12 ZINC000515123753 1042809755 /nfs/dbraw/zinc/80/97/55/1042809755.db2.gz NRWFLRFKTFZXQW-IBGZPJMESA-N 1 1 315.420 4.018 20 30 DIEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000425532658 1042837753 /nfs/dbraw/zinc/83/77/53/1042837753.db2.gz JLSBZEVTSAHVOR-GFCCVEGCSA-N 1 1 319.330 4.165 20 30 DIEDMO CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000516745381 1042853836 /nfs/dbraw/zinc/85/38/36/1042853836.db2.gz HBSCOCVQFXJIEQ-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000516745381 1042853839 /nfs/dbraw/zinc/85/38/39/1042853839.db2.gz HBSCOCVQFXJIEQ-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000519187039 1042937923 /nfs/dbraw/zinc/93/79/23/1042937923.db2.gz ILYSQCALXMRVLG-HNNXBMFYSA-N 1 1 308.347 4.113 20 30 DIEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000519187039 1042937925 /nfs/dbraw/zinc/93/79/25/1042937925.db2.gz ILYSQCALXMRVLG-HNNXBMFYSA-N 1 1 308.347 4.113 20 30 DIEDMO C=CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167981860 1042975150 /nfs/dbraw/zinc/97/51/50/1042975150.db2.gz NKGFCKSNKCOVRG-OTYNDTSQSA-N 1 1 310.485 4.299 20 30 DIEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1ccccc1 ZINC001167981860 1042975151 /nfs/dbraw/zinc/97/51/51/1042975151.db2.gz NKGFCKSNKCOVRG-OTYNDTSQSA-N 1 1 310.485 4.299 20 30 DIEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167981860 1042975152 /nfs/dbraw/zinc/97/51/52/1042975152.db2.gz NKGFCKSNKCOVRG-OTYNDTSQSA-N 1 1 310.485 4.299 20 30 DIEDMO CC(C)c1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000519643288 1042997451 /nfs/dbraw/zinc/99/74/51/1042997451.db2.gz CMWMGFUIYQMKNL-HXUWFJFHSA-N 1 1 305.425 4.414 20 30 DIEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2cccs2)cn2ccccc12 ZINC000141230037 1043022941 /nfs/dbraw/zinc/02/29/41/1043022941.db2.gz WUYKXZKXXUWFSI-KRWDZBQOSA-N 1 1 307.422 4.210 20 30 DIEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2cccs2)cn2ccccc12 ZINC000141230037 1043022943 /nfs/dbraw/zinc/02/29/43/1043022943.db2.gz WUYKXZKXXUWFSI-KRWDZBQOSA-N 1 1 307.422 4.210 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332728 1043037383 /nfs/dbraw/zinc/03/73/83/1043037383.db2.gz RTGOPHWHZWUTPZ-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000441332728 1043037386 /nfs/dbraw/zinc/03/73/86/1043037386.db2.gz RTGOPHWHZWUTPZ-ORAYPTAESA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1ccc(C#N)cc1 ZINC000173882906 1043054895 /nfs/dbraw/zinc/05/48/95/1043054895.db2.gz CKTZSBIKLJCTRP-LAUBAEHRSA-N 1 1 319.452 4.046 20 30 DIEDMO COc1ccc2oc([C@H](C)[NH2+]Cc3ccc(C#N)o3)c(C)c2c1 ZINC000174365377 1043064314 /nfs/dbraw/zinc/06/43/14/1043064314.db2.gz HCFWEVQRZLSKQT-LBPRGKRZSA-N 1 1 310.353 4.065 20 30 DIEDMO N#Cc1cccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)c1F ZINC000794826975 1043065545 /nfs/dbraw/zinc/06/55/45/1043065545.db2.gz GMXCAWFLWZREJH-KRWDZBQOSA-N 1 1 322.383 4.233 20 30 DIEDMO CC(C)c1nnc(NC(=O)C[N@H+]2CCCC23CCCCC3)s1 ZINC000328890865 1043080739 /nfs/dbraw/zinc/08/07/39/1043080739.db2.gz SAVYQGMIEMBQOG-UHFFFAOYSA-N 1 1 322.478 4.048 20 30 DIEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2noc3ccc(F)cc23)cc1 ZINC000865761744 1043132045 /nfs/dbraw/zinc/13/20/45/1043132045.db2.gz PGNOUROCYNXMLL-UHFFFAOYSA-N 1 1 323.371 4.058 20 30 DIEDMO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179464643 1043147422 /nfs/dbraw/zinc/14/74/22/1043147422.db2.gz DPQJVMGWLSKYIR-HNNXBMFYSA-N 1 1 310.445 4.093 20 30 DIEDMO C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1cccc(C#N)c1O ZINC000866322090 1043179174 /nfs/dbraw/zinc/17/91/74/1043179174.db2.gz SNZDCFILNISUAW-LBPRGKRZSA-N 1 1 312.800 4.257 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000121771887 1043260056 /nfs/dbraw/zinc/26/00/56/1043260056.db2.gz TUWFWZLFIGXHKA-OALUTQOASA-N 1 1 324.424 4.020 20 30 DIEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000266931747 1043304550 /nfs/dbraw/zinc/30/45/50/1043304550.db2.gz SWDKZQBAKVTIOV-QGZVFWFLSA-N 1 1 300.446 4.032 20 30 DIEDMO CC(C)(C#N)CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000267401607 1043306825 /nfs/dbraw/zinc/30/68/25/1043306825.db2.gz IYMXXULXWRUKAH-IBGZPJMESA-N 1 1 314.473 4.078 20 30 DIEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000267820986 1043309560 /nfs/dbraw/zinc/30/95/60/1043309560.db2.gz OVFFPJGRPDUFGL-KRWDZBQOSA-N 1 1 310.445 4.040 20 30 DIEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ncc(C)s2)cc1 ZINC000123039951 1043341875 /nfs/dbraw/zinc/34/18/75/1043341875.db2.gz NQNXZURUIRDPPQ-ZDUSSCGKSA-N 1 1 322.861 4.434 20 30 DIEDMO COc1cccc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)c1 ZINC000487417270 1043386068 /nfs/dbraw/zinc/38/60/68/1043386068.db2.gz SJECJIFPMDVRMH-UHFFFAOYSA-N 1 1 308.425 4.128 20 30 DIEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](C)c1cccnc1 ZINC000521317910 1043387077 /nfs/dbraw/zinc/38/70/77/1043387077.db2.gz DSQQASYOXMDVRV-KRWDZBQOSA-N 1 1 323.440 4.347 20 30 DIEDMO C#CCCC[N@H+](CCC)Cc1nnc(-c2ccccc2Cl)o1 ZINC000271010111 1043399957 /nfs/dbraw/zinc/39/99/57/1043399957.db2.gz HSOSAEMPQWCXKR-UHFFFAOYSA-N 1 1 317.820 4.015 20 30 DIEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(Cl)c2)c2ccccn2)C1 ZINC000442777805 1043416685 /nfs/dbraw/zinc/41/66/85/1043416685.db2.gz JCBDYBGSLZIEBC-SKDZVZGDSA-N 1 1 311.816 4.106 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1cccc(OC)c1 ZINC000442796684 1043425512 /nfs/dbraw/zinc/42/55/12/1043425512.db2.gz GKPKGQHCWDEYMN-OAHLLOKOSA-N 1 1 324.424 4.159 20 30 DIEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000442799184 1043425957 /nfs/dbraw/zinc/42/59/57/1043425957.db2.gz KAWIASIXDQDOEI-OAHLLOKOSA-N 1 1 319.408 4.022 20 30 DIEDMO COc1cc(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)ccc1C#N ZINC000442815555 1043428886 /nfs/dbraw/zinc/42/88/86/1043428886.db2.gz VLZTYQBWGBMCMN-HXUWFJFHSA-N 1 1 318.420 4.219 20 30 DIEDMO COc1ccccc1[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccco1 ZINC000925566305 1043430673 /nfs/dbraw/zinc/43/06/73/1043430673.db2.gz ATYIZSYVDGBCAJ-KBXCAEBGSA-N 1 1 312.413 4.296 20 30 DIEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnn1C1CCC1 ZINC000925601606 1043435234 /nfs/dbraw/zinc/43/52/34/1043435234.db2.gz MFGNHIVMUBUDSU-MAUKXSAKSA-N 1 1 308.429 4.304 20 30 DIEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnn1C1CCC1 ZINC000925601605 1043435247 /nfs/dbraw/zinc/43/52/47/1043435247.db2.gz MFGNHIVMUBUDSU-CRAIPNDOSA-N 1 1 308.429 4.304 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000558117306 1043442629 /nfs/dbraw/zinc/44/26/29/1043442629.db2.gz PJGIYCXRWBQFEI-DNVCBOLYSA-N 1 1 310.828 4.170 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000442891505 1043452064 /nfs/dbraw/zinc/45/20/64/1043452064.db2.gz NJKXIBVWMYWGLC-BBRMVZONSA-N 1 1 312.363 4.387 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000558180046 1043452851 /nfs/dbraw/zinc/45/28/51/1043452851.db2.gz MHNAJKRTBITAOX-GOSISDBHSA-N 1 1 324.424 4.159 20 30 DIEDMO C[N@@H+](CCCC1(C#N)CCOCC1)[C@@H]1CCCc2ccccc21 ZINC000521822006 1043486943 /nfs/dbraw/zinc/48/69/43/1043486943.db2.gz PCDNLMMQFJXELH-LJQANCHMSA-N 1 1 312.457 4.096 20 30 DIEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000521821829 1043487774 /nfs/dbraw/zinc/48/77/74/1043487774.db2.gz YTARCSMNVVWFBN-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000124070165 1043495640 /nfs/dbraw/zinc/49/56/40/1043495640.db2.gz GDIUOKPNIUAUHA-FOIQADDNSA-N 1 1 324.399 4.454 20 30 DIEDMO CCCC[C@@H](CC)CC=[NH+]n1c(SC)nnc1SC ZINC000872417684 1043497112 /nfs/dbraw/zinc/49/71/12/1043497112.db2.gz KHHFKLPNKCEAHI-LLVKDONJSA-N 1 1 300.497 4.162 20 30 DIEDMO CC1(C)C[C@H]([N@@H+](CCCC#N)Cc2ccccc2)C(C)(C)O1 ZINC000349388358 1043505164 /nfs/dbraw/zinc/50/51/64/1043505164.db2.gz WCDNNDRFGBJHKB-KRWDZBQOSA-N 1 1 300.446 4.138 20 30 DIEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)C1 ZINC000349707775 1043518588 /nfs/dbraw/zinc/51/85/88/1043518588.db2.gz QAQSPYWOWVWQGQ-WMZOPIPTSA-N 1 1 300.446 4.380 20 30 DIEDMO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001320899202 1043531392 /nfs/dbraw/zinc/53/13/92/1043531392.db2.gz QSRVISVJTWZZIN-WCQYABFASA-N 1 1 300.229 4.331 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC001320899202 1043531398 /nfs/dbraw/zinc/53/13/98/1043531398.db2.gz QSRVISVJTWZZIN-WCQYABFASA-N 1 1 300.229 4.331 20 30 DIEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC000777595106 1043561885 /nfs/dbraw/zinc/56/18/85/1043561885.db2.gz UVJTUTRYLTWCSL-PMACEKPBSA-N 1 1 308.400 4.428 20 30 DIEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](C)CCC=C(C)C)C1=O ZINC001275068313 1043571101 /nfs/dbraw/zinc/57/11/01/1043571101.db2.gz GGRDFUVYCHVCSO-UYAOXDASSA-N 1 1 318.505 4.012 20 30 DIEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](CC)CCCC)CC2)C1=O ZINC001275081731 1043571929 /nfs/dbraw/zinc/57/19/29/1043571929.db2.gz IGBHEPXMJZQAMA-QUCCMNQESA-N 1 1 320.521 4.093 20 30 DIEDMO CCCCCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001275093237 1043572874 /nfs/dbraw/zinc/57/28/74/1043572874.db2.gz JWSBDQSTMYPMSN-LJQANCHMSA-N 1 1 308.510 4.071 20 30 DIEDMO C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000738422410 1043576276 /nfs/dbraw/zinc/57/62/76/1043576276.db2.gz BXWZNDIUADUHME-GOSISDBHSA-N 1 1 315.363 4.218 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001275115723 1043577015 /nfs/dbraw/zinc/57/70/15/1043577015.db2.gz YMYFDYHJCBBTPC-IBGZPJMESA-N 1 1 308.510 4.070 20 30 DIEDMO COc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1C#N ZINC000124968988 1043579502 /nfs/dbraw/zinc/57/95/02/1043579502.db2.gz JHOIZGIMIZXBLE-HXUWFJFHSA-N 1 1 318.376 4.039 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1 ZINC000558740131 1043583967 /nfs/dbraw/zinc/58/39/67/1043583967.db2.gz VXHBAJRMJWRVHK-WKCHPHFGSA-N 1 1 302.421 4.469 20 30 DIEDMO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000558738306 1043585100 /nfs/dbraw/zinc/58/51/00/1043585100.db2.gz SKJWCFHWFIBFAK-GFCCVEGCSA-N 1 1 323.421 4.434 20 30 DIEDMO CCC(CC)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC000353419185 1043607453 /nfs/dbraw/zinc/60/74/53/1043607453.db2.gz AWCCBSJQOLJHBX-UHFFFAOYSA-N 1 1 310.445 4.229 20 30 DIEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC000353419185 1043607457 /nfs/dbraw/zinc/60/74/57/1043607457.db2.gz AWCCBSJQOLJHBX-UHFFFAOYSA-N 1 1 310.445 4.229 20 30 DIEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1cc(C#N)ccc1OC ZINC000190503331 1043608154 /nfs/dbraw/zinc/60/81/54/1043608154.db2.gz WUWIIXYCEUVICS-UHFFFAOYSA-N 1 1 319.408 4.070 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558864562 1043620383 /nfs/dbraw/zinc/62/03/83/1043620383.db2.gz WVGFJXOJBGMIQS-KUHUBIRLSA-N 1 1 312.363 4.329 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000558864562 1043620390 /nfs/dbraw/zinc/62/03/90/1043620390.db2.gz WVGFJXOJBGMIQS-KUHUBIRLSA-N 1 1 312.363 4.329 20 30 DIEDMO N#CC1(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CCCCC1 ZINC000926712874 1043620966 /nfs/dbraw/zinc/62/09/66/1043620966.db2.gz OQYOWXBMSBYFIW-OAHLLOKOSA-N 1 1 303.837 4.176 20 30 DIEDMO CC[C@@]1(C)CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000353686638 1043633935 /nfs/dbraw/zinc/63/39/35/1043633935.db2.gz KVWCCUOQJGXVGP-IBGZPJMESA-N 1 1 300.446 4.381 20 30 DIEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1 ZINC000559130443 1043700570 /nfs/dbraw/zinc/70/05/70/1043700570.db2.gz RUWHMSKHALNUNF-KFWWJZLASA-N 1 1 311.454 4.168 20 30 DIEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001275329315 1043701663 /nfs/dbraw/zinc/70/16/63/1043701663.db2.gz RWTXRHBMYAIWGD-HXUWFJFHSA-N 1 1 318.505 4.014 20 30 DIEDMO C[C@H](CCC#N)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000876803471 1043709685 /nfs/dbraw/zinc/70/96/85/1043709685.db2.gz IOIYCZDHSUQIAA-IKGGRYGDSA-N 1 1 320.502 4.356 20 30 DIEDMO C#CCCCCCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000876794966 1043710440 /nfs/dbraw/zinc/71/04/40/1043710440.db2.gz HZHZTLXPSOIRER-IIBYNOLFSA-N 1 1 305.487 4.001 20 30 DIEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000876974074 1043729774 /nfs/dbraw/zinc/72/97/74/1043729774.db2.gz XMGZEOPHWDMTLW-OAHLLOKOSA-N 1 1 318.207 4.037 20 30 DIEDMO C=CCC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000355038445 1043739983 /nfs/dbraw/zinc/73/99/83/1043739983.db2.gz FIJRSJMPOMSXSP-OALUTQOASA-N 1 1 314.473 4.075 20 30 DIEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355090740 1043742802 /nfs/dbraw/zinc/74/28/02/1043742802.db2.gz VFYBEDYPUCQWRT-BRWVUGGUSA-N 1 1 300.446 4.236 20 30 DIEDMO 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KIXXOUMELJXGJB-MJGOQNOKSA-N 1 1 314.473 4.477 20 30 DIEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000444652866 1044587065 /nfs/dbraw/zinc/58/70/65/1044587065.db2.gz KIXXOUMELJXGJB-HKUYNNGSSA-N 1 1 314.473 4.477 20 30 DIEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444673573 1044596503 /nfs/dbraw/zinc/59/65/03/1044596503.db2.gz NDSJRHWGCZLGRO-GOSISDBHSA-N 1 1 313.489 4.307 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000444688762 1044603720 /nfs/dbraw/zinc/60/37/20/1044603720.db2.gz KWSYZIXHXYJOAS-LJQANCHMSA-N 1 1 314.473 4.040 20 30 DIEDMO CC1(C)CCC[N@H+](CC2CCC(C(F)(F)F)CC2)[C@@H]1C#N ZINC000444735525 1044614225 /nfs/dbraw/zinc/61/42/25/1044614225.db2.gz USCGJUYSORFNSR-JXQTWKCFSA-N 1 1 302.384 4.369 20 30 DIEDMO CC1(C)CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)[C@@H]1C#N ZINC000444735525 1044614235 /nfs/dbraw/zinc/61/42/35/1044614235.db2.gz USCGJUYSORFNSR-JXQTWKCFSA-N 1 1 302.384 4.369 20 30 DIEDMO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1c(C)noc1C ZINC000348364283 1044616833 /nfs/dbraw/zinc/61/68/33/1044616833.db2.gz SSDQCPGTNWJCCJ-INIZCTEOSA-N 1 1 302.805 4.037 20 30 DIEDMO CC#CC[NH2+][C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000444745073 1044617623 /nfs/dbraw/zinc/61/76/23/1044617623.db2.gz SKDSILIGCRDKCC-GFCCVEGCSA-N 1 1 309.253 4.312 20 30 DIEDMO C=CCN1CC[C@@]2(CC[N@H+](C/C=C/CCCCCCC)C2)C1=O ZINC001275840782 1044629142 /nfs/dbraw/zinc/62/91/42/1044629142.db2.gz RHHZXXVFITVXRT-CTDFXDFQSA-N 1 1 318.505 4.014 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2nnc(C3CC3)n2C2CC2)CCCC1(C)C ZINC000444793900 1044630482 /nfs/dbraw/zinc/63/04/82/1044630482.db2.gz UKBYEYIPTRLUPZ-MRXNPFEDSA-N 1 1 314.477 4.057 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2csc([C@H](C)OC)n2)CCCC1(C)C ZINC000444786990 1044630550 /nfs/dbraw/zinc/63/05/50/1044630550.db2.gz PPBCWQVAOPRVHM-DZGCQCFKSA-N 1 1 308.491 4.417 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2csc([C@H](C)OC)n2)CCCC1(C)C ZINC000444786993 1044630795 /nfs/dbraw/zinc/63/07/95/1044630795.db2.gz PPBCWQVAOPRVHM-ZFWWWQNUSA-N 1 1 308.491 4.417 20 30 DIEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC[C@H](C)CC(C)(C)C)C1=O ZINC001275888715 1044661145 /nfs/dbraw/zinc/66/11/45/1044661145.db2.gz KKAUYGBEQWITKO-PXNSSMCTSA-N 1 1 320.521 4.092 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c(F)c1 ZINC000523581517 1044664534 /nfs/dbraw/zinc/66/45/34/1044664534.db2.gz UTQNHZUNWAKRCC-HNNXBMFYSA-N 1 1 314.791 4.340 20 30 DIEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCCSCC#N)C2CC2)o1 ZINC000074980544 1044686663 /nfs/dbraw/zinc/68/66/63/1044686663.db2.gz POLSTYLQSLFLFO-BBRMVZONSA-N 1 1 304.459 4.014 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000093821540 1044760379 /nfs/dbraw/zinc/76/03/79/1044760379.db2.gz QVIFVWGTWDSPGH-LBPRGKRZSA-N 1 1 303.431 4.233 20 30 DIEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093821540 1044760394 /nfs/dbraw/zinc/76/03/94/1044760394.db2.gz QVIFVWGTWDSPGH-LBPRGKRZSA-N 1 1 303.431 4.233 20 30 DIEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000570606433 1044769317 /nfs/dbraw/zinc/76/93/17/1044769317.db2.gz PRZVZTMNRBCPRZ-KRWDZBQOSA-N 1 1 300.427 4.211 20 30 DIEDMO CCn1c2ccccc2nc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000570632793 1044772141 /nfs/dbraw/zinc/77/21/41/1044772141.db2.gz OINCFLUYGYIRLA-HNNXBMFYSA-N 1 1 318.424 4.121 20 30 DIEDMO CCn1c2ccccc2nc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000570632793 1044772155 /nfs/dbraw/zinc/77/21/55/1044772155.db2.gz OINCFLUYGYIRLA-HNNXBMFYSA-N 1 1 318.424 4.121 20 30 DIEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000524251909 1044779591 /nfs/dbraw/zinc/77/95/91/1044779591.db2.gz RUJWZDHSSCXHQP-IEBWSBKVSA-N 1 1 320.436 4.124 20 30 DIEDMO Cc1nsc(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000570813147 1044783132 /nfs/dbraw/zinc/78/31/32/1044783132.db2.gz MWAPELYQHWGGTK-AEFFLSMTSA-N 1 1 311.454 4.032 20 30 DIEDMO Cc1nsc(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000570813147 1044783140 /nfs/dbraw/zinc/78/31/40/1044783140.db2.gz MWAPELYQHWGGTK-AEFFLSMTSA-N 1 1 311.454 4.032 20 30 DIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000152149098 1044794529 /nfs/dbraw/zinc/79/45/29/1044794529.db2.gz SKPPVXTVNZHCIT-OAHLLOKOSA-N 1 1 317.392 4.406 20 30 DIEDMO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000152149098 1044794546 /nfs/dbraw/zinc/79/45/46/1044794546.db2.gz SKPPVXTVNZHCIT-OAHLLOKOSA-N 1 1 317.392 4.406 20 30 DIEDMO C=C(C)C[N@@H+](Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000126950726 1044816281 /nfs/dbraw/zinc/81/62/81/1044816281.db2.gz UAEXKHIELLWSDN-UHFFFAOYSA-N 1 1 305.809 4.177 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000264121810 1044854242 /nfs/dbraw/zinc/85/42/42/1044854242.db2.gz KTDOBBDSNOEKJC-MRXNPFEDSA-N 1 1 319.408 4.044 20 30 DIEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21 ZINC000572756799 1044874835 /nfs/dbraw/zinc/87/48/35/1044874835.db2.gz BWCZNMPCQJGVDQ-NRFANRHFSA-N 1 1 320.436 4.084 20 30 DIEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264557940 1044893530 /nfs/dbraw/zinc/89/35/30/1044893530.db2.gz NNTHMQHOXONECP-CYBMUJFWSA-N 1 1 316.351 4.060 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000337637807 1044932311 /nfs/dbraw/zinc/93/23/11/1044932311.db2.gz UQIUQNGJKOTJMQ-UHFFFAOYSA-N 1 1 303.409 4.061 20 30 DIEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000373106791 1044942446 /nfs/dbraw/zinc/94/24/46/1044942446.db2.gz MQRIQSWSECACLD-HXUWFJFHSA-N 1 1 312.457 4.228 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000574405090 1044952409 /nfs/dbraw/zinc/95/24/09/1044952409.db2.gz YPEDWLMOYUMQSL-HNNXBMFYSA-N 1 1 323.396 4.438 20 30 DIEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134775036 1044968401 /nfs/dbraw/zinc/96/84/01/1044968401.db2.gz AYYAHTBEGYYAPQ-MSOLQXFVSA-N 1 1 318.436 4.044 20 30 DIEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)o1 ZINC000574829761 1044973518 /nfs/dbraw/zinc/97/35/18/1044973518.db2.gz RPOPHOSXYRYWGE-OAQYLSRUSA-N 1 1 314.388 4.299 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)o1 ZINC000574829761 1044973535 /nfs/dbraw/zinc/97/35/35/1044973535.db2.gz RPOPHOSXYRYWGE-OAQYLSRUSA-N 1 1 314.388 4.299 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000411164129 1044981932 /nfs/dbraw/zinc/98/19/32/1044981932.db2.gz GTEURQNNZASLOK-INIZCTEOSA-N 1 1 303.409 4.403 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000411481192 1045013089 /nfs/dbraw/zinc/01/30/89/1045013089.db2.gz AOIDGWSABPWPKY-AWEZNQCLSA-N 1 1 302.418 4.357 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000411481192 1045013097 /nfs/dbraw/zinc/01/30/97/1045013097.db2.gz AOIDGWSABPWPKY-AWEZNQCLSA-N 1 1 302.418 4.357 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)Cc1ccccc1 ZINC000575907917 1045018229 /nfs/dbraw/zinc/01/82/29/1045018229.db2.gz WPGOVHGVKTZCRG-KRWDZBQOSA-N 1 1 313.441 4.029 20 30 DIEDMO CC(C)O[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000428452700 1045022754 /nfs/dbraw/zinc/02/27/54/1045022754.db2.gz CVGWERUYRAFAON-FQEVSTJZSA-N 1 1 308.425 4.156 20 30 DIEDMO C[N@H+](CCC1(C#N)CCCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000411648614 1045023045 /nfs/dbraw/zinc/02/30/45/1045023045.db2.gz NTNZDTJQOHAOFN-UHFFFAOYSA-N 1 1 302.466 4.003 20 30 DIEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000411648614 1045023060 /nfs/dbraw/zinc/02/30/60/1045023060.db2.gz NTNZDTJQOHAOFN-UHFFFAOYSA-N 1 1 302.466 4.003 20 30 DIEDMO C[C@H](CCC#N)[N@H+](C)Cc1ccc(Br)cc1Cl ZINC000411628769 1045023559 /nfs/dbraw/zinc/02/35/59/1045023559.db2.gz YFQIOUQQGPPSHV-SNVBAGLBSA-N 1 1 315.642 4.227 20 30 DIEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC000411628769 1045023574 /nfs/dbraw/zinc/02/35/74/1045023574.db2.gz YFQIOUQQGPPSHV-SNVBAGLBSA-N 1 1 315.642 4.227 20 30 DIEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)c1ccc(C#N)cc1)C2 ZINC000441075216 1045026587 /nfs/dbraw/zinc/02/65/87/1045026587.db2.gz ZKNYICHNBDGXKX-OAHLLOKOSA-N 1 1 306.409 4.076 20 30 DIEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000411776930 1045027273 /nfs/dbraw/zinc/02/72/73/1045027273.db2.gz DBSNJHXIPUIUOV-HIFRSBDPSA-N 1 1 321.262 4.006 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C2CC2)cc1 ZINC000576209401 1045042676 /nfs/dbraw/zinc/04/26/76/1045042676.db2.gz MHBCQDKMLBKZQL-IBGZPJMESA-N 1 1 310.441 4.014 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2cn(-c3ccncc3)nc2C)CCCC1(C)C ZINC000446827048 1045046098 /nfs/dbraw/zinc/04/60/98/1045046098.db2.gz LYDXTIRTULTJCM-IBGZPJMESA-N 1 1 324.472 4.142 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cn(-c3ccncc3)nc2C)CCCC1(C)C ZINC000446827048 1045046110 /nfs/dbraw/zinc/04/61/10/1045046110.db2.gz LYDXTIRTULTJCM-IBGZPJMESA-N 1 1 324.472 4.142 20 30 DIEDMO N#CCCCC[N@@H+]1CC[C@](F)(c2cccc(C(F)(F)F)c2)C1 ZINC000374625810 1045077364 /nfs/dbraw/zinc/07/73/64/1045077364.db2.gz KZJIUGRUTFVAHA-OAHLLOKOSA-N 1 1 314.326 4.270 20 30 DIEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000576764005 1045079067 /nfs/dbraw/zinc/07/90/67/1045079067.db2.gz RFPSNDDOGJDAEF-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c(F)cccc1F ZINC000576764005 1045079076 /nfs/dbraw/zinc/07/90/76/1045079076.db2.gz RFPSNDDOGJDAEF-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000778995750 1045110097 /nfs/dbraw/zinc/11/00/97/1045110097.db2.gz CWSVHPZHCICCEU-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000778996989 1045112447 /nfs/dbraw/zinc/11/24/47/1045112447.db2.gz YIYCEPJQYMKAIK-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO C=CC[N@H+](CCc1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000778996989 1045112453 /nfs/dbraw/zinc/11/24/53/1045112453.db2.gz YIYCEPJQYMKAIK-UHFFFAOYSA-N 1 1 320.776 4.072 20 30 DIEDMO CC[C@H]([NH2+]CCCN(C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000447517961 1045135201 /nfs/dbraw/zinc/13/52/01/1045135201.db2.gz MIHYIVVXPIJHAF-NRFANRHFSA-N 1 1 321.468 4.121 20 30 DIEDMO CC[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525851 1045136140 /nfs/dbraw/zinc/13/61/40/1045136140.db2.gz ABOWFDIVCWANPN-HXUWFJFHSA-N 1 1 313.489 4.254 20 30 DIEDMO CC[C@@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000447525851 1045136145 /nfs/dbraw/zinc/13/61/45/1045136145.db2.gz ABOWFDIVCWANPN-HXUWFJFHSA-N 1 1 313.489 4.254 20 30 DIEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnc3[nH]cc(C#N)c3c2)c1 ZINC000600779719 1045136994 /nfs/dbraw/zinc/13/69/94/1045136994.db2.gz YWNMCERWGQDFBC-CQSZACIVSA-N 1 1 316.408 4.086 20 30 DIEDMO Cc1cc(C)c(C[S@](=O)CCC2(C#N)CCCCC2)c(C)[nH+]1 ZINC000600935122 1045166795 /nfs/dbraw/zinc/16/67/95/1045166795.db2.gz HFLPCZNUWAORHQ-JOCHJYFZSA-N 1 1 318.486 4.120 20 30 DIEDMO C[C@@H](CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734155 1045170263 /nfs/dbraw/zinc/17/02/63/1045170263.db2.gz TZSOVBNYUUQMLL-LAUBAEHRSA-N 1 1 320.436 4.125 20 30 DIEDMO C[C@H](CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)c1ccccc1 ZINC000447734156 1045170956 /nfs/dbraw/zinc/17/09/56/1045170956.db2.gz TZSOVBNYUUQMLL-UTKZUKDTSA-N 1 1 320.436 4.125 20 30 DIEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cc(C)c1O ZINC000577918441 1045187578 /nfs/dbraw/zinc/18/75/78/1045187578.db2.gz UYECFGFTORLSOU-UHFFFAOYSA-N 1 1 306.409 4.045 20 30 DIEDMO CC[C@@H]([NH2+]Cc1ccn(C2CCCC2)n1)c1ccc(C#N)cc1 ZINC000577932648 1045189808 /nfs/dbraw/zinc/18/98/08/1045189808.db2.gz LINDKRYHVVVDKW-LJQANCHMSA-N 1 1 308.429 4.111 20 30 DIEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000578316348 1045230089 /nfs/dbraw/zinc/23/00/89/1045230089.db2.gz XNNNUZRZPMUAKD-PXNSSMCTSA-N 1 1 321.399 4.143 20 30 DIEDMO Cc1cnc(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)c1 ZINC000578352997 1045234349 /nfs/dbraw/zinc/23/43/49/1045234349.db2.gz QBHLGONOBMRAKX-PZJWPPBQSA-N 1 1 319.452 4.013 20 30 DIEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1ccc(C#N)cc1F ZINC000527971289 1045287005 /nfs/dbraw/zinc/28/70/05/1045287005.db2.gz ZOYYBFLLNFECKH-YJYMSZOUSA-N 1 1 309.388 4.284 20 30 DIEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000579145528 1045297347 /nfs/dbraw/zinc/29/73/47/1045297347.db2.gz GYDJGPZTOQYQLU-GOSISDBHSA-N 1 1 312.388 4.289 20 30 DIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536042 1045321161 /nfs/dbraw/zinc/32/11/61/1045321161.db2.gz UVOJGWVMBCLSKJ-KSSFIOAISA-N 1 1 311.454 4.296 20 30 DIEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2Cc2nc(C#N)cs2)cc1 ZINC000579536042 1045321167 /nfs/dbraw/zinc/32/11/67/1045321167.db2.gz UVOJGWVMBCLSKJ-KSSFIOAISA-N 1 1 311.454 4.296 20 30 DIEDMO Cc1ccc2sc(C[NH2+]C3(c4cccc(C#N)c4)CC3)nc2c1 ZINC000528438481 1045359576 /nfs/dbraw/zinc/35/95/76/1045359576.db2.gz SETULPZGTCPAOD-UHFFFAOYSA-N 1 1 319.433 4.255 20 30 DIEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1Cl ZINC000449701780 1045427902 /nfs/dbraw/zinc/42/79/02/1045427902.db2.gz XLNCERQOOAGBGH-UHFFFAOYSA-N 1 1 318.804 4.060 20 30 DIEDMO C[C@H]1C[C@H](Nc2cccc(CC#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000449699375 1045427972 /nfs/dbraw/zinc/42/79/72/1045427972.db2.gz OUORGTHWFSAIQG-LAUBAEHRSA-N 1 1 319.452 4.218 20 30 DIEDMO COc1cccc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CC2(C)C)c1 ZINC000529638483 1045504918 /nfs/dbraw/zinc/50/49/18/1045504918.db2.gz DSKFXPDXCSDFJZ-SFHVURJKSA-N 1 1 314.473 4.451 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@H+](CC/C=C/c3ccccc3)CCO2)c1 ZINC000450653218 1045536988 /nfs/dbraw/zinc/53/69/88/1045536988.db2.gz VNBGAGOTZSDNEA-AZJBKQKUSA-N 1 1 318.420 4.035 20 30 DIEDMO N#Cc1cccc([C@H]2C[N@@H+](CC/C=C/c3ccccc3)CCO2)c1 ZINC000450653218 1045536996 /nfs/dbraw/zinc/53/69/96/1045536996.db2.gz VNBGAGOTZSDNEA-AZJBKQKUSA-N 1 1 318.420 4.035 20 30 DIEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@]1(C)CCCS1 ZINC000628273184 1045562434 /nfs/dbraw/zinc/56/24/34/1045562434.db2.gz LMPNNCZUGPKPLX-KRWDZBQOSA-N 1 1 307.507 4.128 20 30 DIEDMO COc1ccc(NN=C(C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000750920651 1045570207 /nfs/dbraw/zinc/57/02/07/1045570207.db2.gz AROUEBXCAVAMLB-UHFFFAOYSA-N 1 1 320.396 4.025 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800459367 1045624262 /nfs/dbraw/zinc/62/42/62/1045624262.db2.gz MQKINGVESSIELI-KRWDZBQOSA-N 1 1 317.539 4.026 20 30 DIEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cc(F)ccc2F)cc1 ZINC000751517115 1045608877 /nfs/dbraw/zinc/60/88/77/1045608877.db2.gz JKYQAYQCNCBZHH-RUDMXATFSA-N 1 1 324.330 4.355 20 30 DIEDMO CC(=NOCc1ccccc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751520249 1045610750 /nfs/dbraw/zinc/61/07/50/1045610750.db2.gz FZAXAIPPVRIIEJ-UHFFFAOYSA-N 1 1 305.381 4.122 20 30 DIEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000451141126 1045628500 /nfs/dbraw/zinc/62/85/00/1045628500.db2.gz CYQHWXCMKOJZCY-WOSRLPQWSA-N 1 1 310.363 4.304 20 30 DIEDMO CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000530366441 1045652768 /nfs/dbraw/zinc/65/27/68/1045652768.db2.gz GTCQLOROFQABSD-QFBILLFUSA-N 1 1 312.457 4.433 20 30 DIEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000451291416 1045658386 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CCC[N@@H+](CCC#N)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138515708 1046209131 /nfs/dbraw/zinc/20/91/31/1046209131.db2.gz BQJZNUZIMVGUAW-UHFFFAOYSA-N 1 1 308.425 4.488 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)cc1 ZINC001138559053 1046225221 /nfs/dbraw/zinc/22/52/21/1046225221.db2.gz NHAWVTNZXFZYRS-HXUWFJFHSA-N 1 1 321.420 4.044 20 30 DIEDMO C#CCOc1ccc(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC001138559114 1046226101 /nfs/dbraw/zinc/22/61/01/1046226101.db2.gz PIKSFEJGOZNWLB-UHFFFAOYSA-N 1 1 309.453 4.099 20 30 DIEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)cc1 ZINC001138559643 1046226505 /nfs/dbraw/zinc/22/65/05/1046226505.db2.gz ZMIXENBCXMDQQH-FQEVSTJZSA-N 1 1 309.384 4.175 20 30 DIEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1 ZINC000245510693 1046239698 /nfs/dbraw/zinc/23/96/98/1046239698.db2.gz WSMGVXBNXMTVSE-YWZLYKJASA-N 1 1 306.409 4.097 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc1 ZINC000245570542 1046245378 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C=CCc1cccc(C[N@@H+]2CC[C@H](c3cccc(OC)c3)C2)c1O ZINC001138630098 1046249660 /nfs/dbraw/zinc/24/96/60/1046249660.db2.gz QUBDGPVVIIVVDJ-SFHVURJKSA-N 1 1 323.436 4.119 20 30 DIEDMO C=CCc1cccc(C[N@@H+](C)CC/C=C/c2cccnc2)c1O ZINC001138630511 1046250143 /nfs/dbraw/zinc/25/01/43/1046250143.db2.gz XZYPQIMUJZRUHR-RUDMXATFSA-N 1 1 308.425 4.051 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@@H]1CCOC ZINC001138664365 1046261183 /nfs/dbraw/zinc/26/11/83/1046261183.db2.gz OQKREHRDKAAIHI-GOSISDBHSA-N 1 1 303.446 4.033 20 30 DIEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000245713914 1046261960 /nfs/dbraw/zinc/26/19/60/1046261960.db2.gz GMKYRNNVICJFNB-YLJYHZDGSA-N 1 1 310.441 4.300 20 30 DIEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001138666074 1046262134 /nfs/dbraw/zinc/26/21/34/1046262134.db2.gz HQAPGUOCUKPXIC-UHFFFAOYSA-N 1 1 306.409 4.145 20 30 DIEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000245750043 1046264283 /nfs/dbraw/zinc/26/42/83/1046264283.db2.gz 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C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407172 1046445789 /nfs/dbraw/zinc/44/57/89/1046445789.db2.gz SMSWJGTWUVPWDT-JKSUJKDBSA-N 1 1 305.425 4.241 20 30 DIEDMO CC(C)[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)CC1CC1 ZINC001139425916 1046448297 /nfs/dbraw/zinc/44/82/97/1046448297.db2.gz XYSSZSAFSBSEKZ-UHFFFAOYSA-N 1 1 321.424 4.366 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 ZINC001139425911 1046449004 /nfs/dbraw/zinc/44/90/04/1046449004.db2.gz XYJIRWUVJHJFJT-HZPDHXFCSA-N 1 1 321.424 4.366 20 30 DIEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427453 1046450421 /nfs/dbraw/zinc/45/04/21/1046450421.db2.gz GOSWKBVZLYKQKQ-IYBDPMFKSA-N 1 1 321.424 4.223 20 30 DIEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139427614 1046450694 /nfs/dbraw/zinc/45/06/94/1046450694.db2.gz MUCBGGVKHYBPQH-MRXNPFEDSA-N 1 1 321.424 4.368 20 30 DIEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139428275 1046450910 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C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000127595212 1046484849 /nfs/dbraw/zinc/48/48/49/1046484849.db2.gz MZZSRBUNLOILBA-MRXNPFEDSA-N 1 1 314.454 4.088 20 30 DIEDMO CC(C)c1ccccc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000826881689 1046489468 /nfs/dbraw/zinc/48/94/68/1046489468.db2.gz CLSCALTZIZNMCO-OAQYLSRUSA-N 1 1 319.452 4.262 20 30 DIEDMO CC(C)c1ccccc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000826881689 1046489479 /nfs/dbraw/zinc/48/94/79/1046489479.db2.gz CLSCALTZIZNMCO-OAQYLSRUSA-N 1 1 319.452 4.262 20 30 DIEDMO COc1ccc([C@H](C)[N@H+](C)Cc2cccc(Cl)c2C#N)cc1 ZINC001139692108 1046498927 /nfs/dbraw/zinc/49/89/27/1046498927.db2.gz NHEFVLARWAWYDE-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(Cl)c2C#N)cc1 ZINC001139692108 1046498932 /nfs/dbraw/zinc/49/89/32/1046498932.db2.gz NHEFVLARWAWYDE-ZDUSSCGKSA-N 1 1 314.816 4.413 20 30 DIEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(Cl)c1C#N ZINC001139692248 1046499283 /nfs/dbraw/zinc/49/92/83/1046499283.db2.gz 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Cc1cccc([C@@H]2CCC[N@H+]2CC#Cc2cccc(Cl)c2)n1 ZINC000533346577 1046699249 /nfs/dbraw/zinc/69/92/49/1046699249.db2.gz QFKPILSWWQZPSV-IBGZPJMESA-N 1 1 310.828 4.232 20 30 DIEDMO C=CC[N@H+](Cc1cnc2ccc(Cl)cn12)C1CCCCC1 ZINC001140432213 1046720609 /nfs/dbraw/zinc/72/06/09/1046720609.db2.gz BJWRVTGXDXWOAQ-UHFFFAOYSA-N 1 1 303.837 4.308 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2cccc(Cl)c12)Cc1ccc(C#N)cc1 ZINC001140436989 1046722887 /nfs/dbraw/zinc/72/28/87/1046722887.db2.gz YBWHBDOPKIYZQE-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO CC(C)COc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000533448851 1046724717 /nfs/dbraw/zinc/72/47/17/1046724717.db2.gz HKFDOTVNIMARFP-UHFFFAOYSA-N 1 1 312.388 4.022 20 30 DIEDMO C=CC[C@@H]([NH2+][C@H](CC)c1ccc(F)cc1O)c1ccncc1 ZINC000796772213 1046731720 /nfs/dbraw/zinc/73/17/20/1046731720.db2.gz PKYSIVJTQHZEEI-IAGOWNOFSA-N 1 1 300.377 4.284 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140491013 1046752232 /nfs/dbraw/zinc/75/22/32/1046752232.db2.gz LFIIGWSSCZUTPF-UHFFFAOYSA-N 1 1 303.446 4.272 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)c(OCC2CC2)c1)C(C)(C)C ZINC001140492281 1046752351 /nfs/dbraw/zinc/75/23/51/1046752351.db2.gz RZXSBLJDNBAHLM-UHFFFAOYSA-N 1 1 303.446 4.271 20 30 DIEDMO N#CCC1CC[NH+](Cc2cc(Cl)ccc2C(F)(F)F)CC1 ZINC001140566457 1046784942 /nfs/dbraw/zinc/78/49/42/1046784942.db2.gz HKSLIUJWOIXHIV-UHFFFAOYSA-N 1 1 316.754 4.484 20 30 DIEDMO FC(F)(F)c1ccc(Cl)cc1C[NH+]1CCC(S)CC1 ZINC001140568997 1046786994 /nfs/dbraw/zinc/78/69/94/1046786994.db2.gz WKHSHSSDJOEPRY-UHFFFAOYSA-N 1 1 309.784 4.253 20 30 DIEDMO COc1cc(C[N@H+](CCC#N)CCC(C)C)ccc1SC ZINC000072692518 1046796878 /nfs/dbraw/zinc/79/68/78/1046796878.db2.gz JNOOYGOOKPLHCR-UHFFFAOYSA-N 1 1 306.475 4.179 20 30 DIEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)ccc1SC ZINC000072692518 1046796884 /nfs/dbraw/zinc/79/68/84/1046796884.db2.gz JNOOYGOOKPLHCR-UHFFFAOYSA-N 1 1 306.475 4.179 20 30 DIEDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140602940 1046805041 /nfs/dbraw/zinc/80/50/41/1046805041.db2.gz UZLSMIUUBVBUSA-UHFFFAOYSA-N 1 1 313.832 4.061 20 30 DIEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2cc(C#N)ccc2Cl)cc1 ZINC001140602993 1046806868 /nfs/dbraw/zinc/80/68/68/1046806868.db2.gz VXGYWLOQQGHOAO-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2Cl)cc1 ZINC001140602993 1046806891 /nfs/dbraw/zinc/80/68/91/1046806891.db2.gz VXGYWLOQQGHOAO-CYBMUJFWSA-N 1 1 314.816 4.413 20 30 DIEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140604117 1046807855 /nfs/dbraw/zinc/80/78/55/1046807855.db2.gz QQPUMRQWZMPTEC-GORDUTHDSA-N 1 1 311.816 4.142 20 30 DIEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1Cl ZINC001140603749 1046808684 /nfs/dbraw/zinc/80/86/84/1046808684.db2.gz AYBFALCXJPPOFV-UHFFFAOYSA-N 1 1 302.780 4.025 20 30 DIEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1csc3ccccc13)CC2 ZINC001140636576 1046821137 /nfs/dbraw/zinc/82/11/37/1046821137.db2.gz MTKASVBXQGRMEV-UHFFFAOYSA-N 1 1 304.418 4.331 20 30 DIEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccccc3)CC2)c1 ZINC000303171388 1046884485 /nfs/dbraw/zinc/88/44/85/1046884485.db2.gz JGQOPOQQEVGSNB-SFHVURJKSA-N 1 1 308.400 4.467 20 30 DIEDMO CCC[N@@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753258 1046885097 /nfs/dbraw/zinc/88/50/97/1046885097.db2.gz DBEOAFPXEMRTPR-UHFFFAOYSA-N 1 1 300.352 4.249 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757337 1046887918 /nfs/dbraw/zinc/88/79/18/1046887918.db2.gz YZMDRRSPPNWBAI-LJQANCHMSA-N 1 1 312.363 4.346 20 30 DIEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757337 1046887928 /nfs/dbraw/zinc/88/79/28/1046887928.db2.gz YZMDRRSPPNWBAI-LJQANCHMSA-N 1 1 312.363 4.346 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000614963244 1046892644 /nfs/dbraw/zinc/89/26/44/1046892644.db2.gz ZCAGDYBSVFDZDP-HNAYVOBHSA-N 1 1 308.450 4.409 20 30 DIEDMO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001140782001 1046896330 /nfs/dbraw/zinc/89/63/30/1046896330.db2.gz YLBAUXHCKDDYLU-HXUWFJFHSA-N 1 1 324.399 4.049 20 30 DIEDMO C#CC[N@H+](Cc1cc(O)cc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC001140797942 1046904901 /nfs/dbraw/zinc/90/49/01/1046904901.db2.gz WXCDYEVGQUNWJL-LJQANCHMSA-N 1 1 311.812 4.168 20 30 DIEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)c1Cl ZINC001140812575 1046910234 /nfs/dbraw/zinc/91/02/34/1046910234.db2.gz BJPZZSVRNGFVOJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)c1Cl ZINC001140812575 1046910247 /nfs/dbraw/zinc/91/02/47/1046910247.db2.gz BJPZZSVRNGFVOJ-UHFFFAOYSA-N 1 1 314.816 4.242 20 30 DIEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1Cl ZINC001140812801 1046910819 /nfs/dbraw/zinc/91/08/19/1046910819.db2.gz LMCXEJYKMWTVKK-IYBDPMFKSA-N 1 1 308.812 4.298 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)c(Cl)c1 ZINC000303462882 1046920503 /nfs/dbraw/zinc/92/05/03/1046920503.db2.gz LZFCKAUXEFDWTF-CQSZACIVSA-N 1 1 305.853 4.278 20 30 DIEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355815 1046933369 /nfs/dbraw/zinc/93/33/69/1046933369.db2.gz GZIMMOMNJALYRW-HXUWFJFHSA-N 1 1 322.452 4.162 20 30 DIEDMO C[C@H]1SCC[N@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000303675412 1046940038 /nfs/dbraw/zinc/94/00/38/1046940038.db2.gz HNAQLUDFFAIUFN-DNVCBOLYSA-N 1 1 308.450 4.237 20 30 DIEDMO C[C@H]1SCC[N@@H+](Cc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000303675412 1046940049 /nfs/dbraw/zinc/94/00/49/1046940049.db2.gz HNAQLUDFFAIUFN-DNVCBOLYSA-N 1 1 308.450 4.237 20 30 DIEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000303665897 1046940991 /nfs/dbraw/zinc/94/09/91/1046940991.db2.gz FGVGSTBDDRXCPI-HNAYVOBHSA-N 1 1 308.450 4.237 20 30 DIEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1CC(C)C)c1ccc(F)c(F)c1 ZINC000647203021 1046951364 /nfs/dbraw/zinc/95/13/64/1046951364.db2.gz FVJNIPKIQMYMAW-GOSISDBHSA-N 1 1 319.399 4.224 20 30 DIEDMO Cc1cc(OC(F)(F)F)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140963633 1046965159 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C=CC[N@H+](Cc1c2cc[nH]c2ncc1Cl)C1CCCCC1 ZINC001138954401 1047004307 /nfs/dbraw/zinc/00/43/07/1047004307.db2.gz KCUMINWKWWVNKU-UHFFFAOYSA-N 1 1 303.837 4.489 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1C ZINC001141113838 1047017161 /nfs/dbraw/zinc/01/71/61/1047017161.db2.gz SYLCWSSBYPYNGJ-UHFFFAOYSA-N 1 1 319.861 4.104 20 30 DIEDMO Cc1ccc(C[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)cc1C ZINC001141113838 1047017177 /nfs/dbraw/zinc/01/71/77/1047017177.db2.gz SYLCWSSBYPYNGJ-UHFFFAOYSA-N 1 1 319.861 4.104 20 30 DIEDMO N#Cc1c(N)sc(C[N@@H+]2CCC[C@@H]2c2cccs2)c1Cl ZINC001141112136 1047017586 /nfs/dbraw/zinc/01/75/86/1047017586.db2.gz QKRUQTKQLWNFIR-SNVBAGLBSA-N 1 1 323.874 4.254 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H]2c2cccs2)c1Cl ZINC001141112136 1047017599 /nfs/dbraw/zinc/01/75/99/1047017599.db2.gz QKRUQTKQLWNFIR-SNVBAGLBSA-N 1 1 323.874 4.254 20 30 DIEDMO N#Cc1c(N)sc(C[N@H+](Cc2ccccc2)C2CC2)c1Cl ZINC001141113012 1047019304 /nfs/dbraw/zinc/01/93/04/1047019304.db2.gz UJIQVBCOYGZCPJ-UHFFFAOYSA-N 1 1 317.845 4.020 20 30 DIEDMO N#Cc1c(N)sc(C[N@@H+](Cc2ccccc2)C2CC2)c1Cl ZINC001141113012 1047019318 /nfs/dbraw/zinc/01/93/18/1047019318.db2.gz UJIQVBCOYGZCPJ-UHFFFAOYSA-N 1 1 317.845 4.020 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141117875 1047019796 /nfs/dbraw/zinc/01/97/96/1047019796.db2.gz AHJIEXNHMWQLAB-HNNXBMFYSA-N 1 1 309.388 4.013 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cn[nH]c1)Cc1cccc(C#N)c1 ZINC001203098755 1047029325 /nfs/dbraw/zinc/02/93/25/1047029325.db2.gz CHIUJRROKNUGLO-INIZCTEOSA-N 1 1 316.408 4.045 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1cn[nH]c1)Cc1cccc(C#N)c1 ZINC001203098755 1047029339 /nfs/dbraw/zinc/02/93/39/1047029339.db2.gz CHIUJRROKNUGLO-INIZCTEOSA-N 1 1 316.408 4.045 20 30 DIEDMO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001141164768 1047032405 /nfs/dbraw/zinc/03/24/05/1047032405.db2.gz JXZKMGOTXWTNNV-HXUWFJFHSA-N 1 1 324.399 4.049 20 30 DIEDMO Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3C#N)C2)cc1 ZINC001141164768 1047032420 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CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000536672393 1047065005 /nfs/dbraw/zinc/06/50/05/1047065005.db2.gz INPKSYCFAXEPTE-UXHICEINSA-N 1 1 320.436 4.357 20 30 DIEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3CCCC34CC4)cc2)cc1 ZINC001141287666 1047076933 /nfs/dbraw/zinc/07/69/33/1047076933.db2.gz KBXHTEJPMFHQSA-UHFFFAOYSA-N 1 1 304.393 4.479 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001141295446 1047080044 /nfs/dbraw/zinc/08/00/44/1047080044.db2.gz CQJCOCPPZVLBCX-QGZVFWFLSA-N 1 1 316.404 4.196 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC001141444675 1047133784 /nfs/dbraw/zinc/13/37/84/1047133784.db2.gz VTBJHMMJLUSCSS-HXUWFJFHSA-N 1 1 322.537 4.462 20 30 DIEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1OC(F)F ZINC000537045704 1047134937 /nfs/dbraw/zinc/13/49/37/1047134937.db2.gz XTVUJYACVIKDLT-NSHDSACASA-N 1 1 320.314 4.150 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1OC(F)F ZINC000537045703 1047135006 /nfs/dbraw/zinc/13/50/06/1047135006.db2.gz XTVUJYACVIKDLT-LLVKDONJSA-N 1 1 320.314 4.150 20 30 DIEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001116439335 1047140451 /nfs/dbraw/zinc/14/04/51/1047140451.db2.gz VCYXHQJAYDEIHK-RTBURBONSA-N 1 1 312.457 4.381 20 30 DIEDMO CCCCCCCC[N@@H+](C)Cc1ccc(C(F)(F)F)nn1 ZINC001141492866 1047149555 /nfs/dbraw/zinc/14/95/55/1047149555.db2.gz JYMTVGWRVIFLAJ-UHFFFAOYSA-N 1 1 303.372 4.288 20 30 DIEDMO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)CCC(C)(C)C#N ZINC000537370267 1047176046 /nfs/dbraw/zinc/17/60/46/1047176046.db2.gz WHZFWWYQGAEFQG-UHFFFAOYSA-N 1 1 324.472 4.169 20 30 DIEDMO C[C@H](NCCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000537407269 1047181130 /nfs/dbraw/zinc/18/11/30/1047181130.db2.gz ODSDPZZBOVPISQ-HNNXBMFYSA-N 1 1 317.452 4.003 20 30 DIEDMO CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433302374 1047183584 /nfs/dbraw/zinc/18/35/84/1047183584.db2.gz XOKLDDJQSYPAJL-CQSZACIVSA-N 1 1 309.251 4.382 20 30 DIEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839170414 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CCCCCCC[N@@H+](CC)Cc1ncc(Br)cn1 ZINC001141671774 1047257262 /nfs/dbraw/zinc/25/72/62/1047257262.db2.gz MZCFMPHZEFSNFI-UHFFFAOYSA-N 1 1 314.271 4.031 20 30 DIEDMO CCn1ccc(C[N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000683028091 1047261726 /nfs/dbraw/zinc/26/17/26/1047261726.db2.gz ACYRYOBKUCRIFB-UHFFFAOYSA-N 1 1 320.358 4.010 20 30 DIEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000796435120 1047271172 /nfs/dbraw/zinc/27/11/72/1047271172.db2.gz PUDKGOPQLIVTLF-TYCQWZJGSA-N 1 1 320.436 4.065 20 30 DIEDMO C=CC[N@H+](Cc1nc(C(F)(F)F)cs1)C1CCCCC1 ZINC001141766947 1047288378 /nfs/dbraw/zinc/28/83/78/1047288378.db2.gz OQRPQEGFZVVPMI-UHFFFAOYSA-N 1 1 304.381 4.483 20 30 DIEDMO C[C@]1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1(Cl)Cl ZINC000827950898 1047283424 /nfs/dbraw/zinc/28/34/24/1047283424.db2.gz ZUHVTSMDFHCLDV-HRCADAONSA-N 1 1 323.267 4.342 20 30 DIEDMO C[C@]1(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1(Cl)Cl ZINC000827950898 1047283432 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ZINC001141938441 1047312867 /nfs/dbraw/zinc/31/28/67/1047312867.db2.gz CJLVYOMFBIYYQB-UHFFFAOYSA-N 1 1 323.465 4.253 20 30 DIEDMO CSc1nc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)ccc1C#N ZINC001141941459 1047313609 /nfs/dbraw/zinc/31/36/09/1047313609.db2.gz KMJUILYDHYGXEV-MRXNPFEDSA-N 1 1 315.486 4.077 20 30 DIEDMO C=C(Br)C[N@H+](C)CCc1cccc2ccccc21 ZINC000726070746 1047332583 /nfs/dbraw/zinc/33/25/83/1047332583.db2.gz NIBNZBVTWJLHJH-UHFFFAOYSA-N 1 1 304.231 4.223 20 30 DIEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc(Cl)c(Cl)cc1O ZINC000840786949 1047333058 /nfs/dbraw/zinc/33/30/58/1047333058.db2.gz GARAQLDHOBNSRL-SECBINFHSA-N 1 1 301.217 4.289 20 30 DIEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C1 ZINC001142044697 1047359532 /nfs/dbraw/zinc/35/95/32/1047359532.db2.gz REGUPOGZWANRON-LLVKDONJSA-N 1 1 320.770 4.012 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(F)c(F)cc3nc2Cl)C1 ZINC001142044697 1047359540 /nfs/dbraw/zinc/35/95/40/1047359540.db2.gz REGUPOGZWANRON-LLVKDONJSA-N 1 1 320.770 4.012 20 30 DIEDMO 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ZINC001142729684 1047488389 /nfs/dbraw/zinc/48/83/89/1047488389.db2.gz HTSFBKPMHXLSGJ-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C=CC[N@H+](Cc1ncc(Br)s1)C1CCCCC1 ZINC001142729684 1047488390 /nfs/dbraw/zinc/48/83/90/1047488390.db2.gz HTSFBKPMHXLSGJ-UHFFFAOYSA-N 1 1 315.280 4.226 20 30 DIEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000537628098 1047489228 /nfs/dbraw/zinc/48/92/28/1047489228.db2.gz GNTPLAAYYYSRBS-MRXNPFEDSA-N 1 1 306.409 4.122 20 30 DIEDMO C[C@H]1CCC[N@H+]1Cc1cccc(OCc2ccccc2C#N)c1 ZINC000537628697 1047494032 /nfs/dbraw/zinc/49/40/32/1047494032.db2.gz YMHULEAWSZLVRX-INIZCTEOSA-N 1 1 306.409 4.122 20 30 DIEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@@H]3c3ccccc3)c[nH]c2c1 ZINC001142921486 1047514645 /nfs/dbraw/zinc/51/46/45/1047514645.db2.gz OTEAVGVEDWPWPF-HXUWFJFHSA-N 1 1 301.393 4.377 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+](Cc3ccccc3)C3CC3)c[nH]c2c1 ZINC001142922385 1047514922 /nfs/dbraw/zinc/51/49/22/1047514922.db2.gz GFCCALFCIMJUOS-UHFFFAOYSA-N 1 1 301.393 4.204 20 30 DIEDMO N#Cc1ccc2c(C[N@@H+]3CC=C(c4ccccc4)CC3)c[nH]c2c1 ZINC001142922279 1047515322 /nfs/dbraw/zinc/51/53/22/1047515322.db2.gz ACBZNKOKNRNWLS-UHFFFAOYSA-N 1 1 313.404 4.329 20 30 DIEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000537633629 1047515389 /nfs/dbraw/zinc/51/53/89/1047515389.db2.gz NHOMSIYCEUPBBY-SJKOYZFVSA-N 1 1 300.402 4.342 20 30 DIEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)[C@H]1CCc2ccccc21 ZINC001142930291 1047518001 /nfs/dbraw/zinc/51/80/01/1047518001.db2.gz IRQZUXJSECXROK-FQEVSTJZSA-N 1 1 301.393 4.159 20 30 DIEDMO C=CCCC[N@@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121735446 1047525561 /nfs/dbraw/zinc/52/55/61/1047525561.db2.gz DQEGPQGTHOGXHL-CYBMUJFWSA-N 1 1 319.836 4.273 20 30 DIEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(Cc2ccc(Cl)cc2)no1 ZINC000121735446 1047525565 /nfs/dbraw/zinc/52/55/65/1047525565.db2.gz DQEGPQGTHOGXHL-CYBMUJFWSA-N 1 1 319.836 4.273 20 30 DIEDMO CC(C)(CCC#N)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000092667133 1047537627 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C=C(C)C[N@H+](CC)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143310240 1047550882 /nfs/dbraw/zinc/55/08/82/1047550882.db2.gz YQRUFLDXHMWUQB-UHFFFAOYSA-N 1 1 305.315 4.251 20 30 DIEDMO CC[C@H](C)C[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093844888 1047551943 /nfs/dbraw/zinc/55/19/43/1047551943.db2.gz SOHFEUMQKXMRLH-KRWDZBQOSA-N 1 1 324.472 4.332 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001204375426 1047569465 /nfs/dbraw/zinc/56/94/65/1047569465.db2.gz SBBUHOIMUWWLQD-INIZCTEOSA-N 1 1 323.436 4.207 20 30 DIEDMO CC[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)c1cccc(C#N)c1 ZINC000926914562 1047590754 /nfs/dbraw/zinc/59/07/54/1047590754.db2.gz ACOSNBFWTZLPRX-OAHLLOKOSA-N 1 1 311.454 4.134 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccn(C2CCCC2)n1 ZINC000477163768 1047600890 /nfs/dbraw/zinc/60/08/90/1047600890.db2.gz OHZPSDHHKQJAQS-UHFFFAOYSA-N 1 1 309.457 4.229 20 30 DIEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccn(C2CCCC2)n1 ZINC000477163768 1047600893 /nfs/dbraw/zinc/60/08/93/1047600893.db2.gz 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CCOCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC001175300039 1048238716 /nfs/dbraw/zinc/23/87/16/1048238716.db2.gz BJEMYRMEGNUJDE-NRFANRHFSA-N 1 1 320.436 4.084 20 30 DIEDMO CN(C)c1cc[nH+]cc1C=NN(c1ccccc1)c1ccccc1 ZINC000776182648 1048259305 /nfs/dbraw/zinc/25/93/05/1048259305.db2.gz CHKQQDKHOGADIE-UHFFFAOYSA-N 1 1 316.408 4.320 20 30 DIEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](C)CCC=C(C)C)C2 ZINC001201489151 1048280803 /nfs/dbraw/zinc/28/08/03/1048280803.db2.gz AIPJIGQGRHDXOM-AABGKKOBSA-N 1 1 321.505 4.195 20 30 DIEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000128506496 1048304936 /nfs/dbraw/zinc/30/49/36/1048304936.db2.gz OWMAKRMTDGUKRU-JTQLQIEISA-N 1 1 307.781 4.001 20 30 DIEDMO CC(C)COc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000555321697 1048318227 /nfs/dbraw/zinc/31/82/27/1048318227.db2.gz ANVCLIYBCJJXAY-UHFFFAOYSA-N 1 1 308.425 4.225 20 30 DIEDMO C[C@H]1C[C@H](Nc2cc(F)ccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC001162679909 1048333355 /nfs/dbraw/zinc/33/33/55/1048333355.db2.gz 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/nfs/dbraw/zinc/37/38/13/1048373813.db2.gz ZGTQZGZCGWUEII-UHFFFAOYSA-N 1 1 306.837 4.038 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001201804735 1048373768 /nfs/dbraw/zinc/37/37/68/1048373768.db2.gz RLWOTYCKTATZCX-HUUCEWRRSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001201804732 1048374009 /nfs/dbraw/zinc/37/40/09/1048374009.db2.gz RLWOTYCKTATZCX-GJZGRUSLSA-N 1 1 309.416 4.372 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001201852769 1048380819 /nfs/dbraw/zinc/38/08/19/1048380819.db2.gz KUBWWBBUTIEPMX-HNNXBMFYSA-N 1 1 309.416 4.374 20 30 DIEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCCCC)C2 ZINC001201826372 1048383340 /nfs/dbraw/zinc/38/33/40/1048383340.db2.gz TZMPVQCXORTJRZ-RTBURBONSA-N 1 1 309.494 4.173 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001201839767 1048386700 /nfs/dbraw/zinc/38/67/00/1048386700.db2.gz RJGDVONLPQIZKS-QGZVFWFLSA-N 1 1 321.509 4.199 20 30 DIEDMO CCCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201840306 1048387437 /nfs/dbraw/zinc/38/74/37/1048387437.db2.gz YAQLKLYJNNSYTJ-GOSISDBHSA-N 1 1 321.509 4.106 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC001201847334 1048388876 /nfs/dbraw/zinc/38/88/76/1048388876.db2.gz VFWZSLQAKRVTAN-FQEVSTJZSA-N 1 1 314.473 4.333 20 30 DIEDMO Cc1ccc2cc(C[N@H+]3CCc4c(CC#N)cccc4C3)[nH]c2c1 ZINC000600212554 1048390193 /nfs/dbraw/zinc/39/01/93/1048390193.db2.gz GDFDSCLUCKLEEU-UHFFFAOYSA-N 1 1 315.420 4.101 20 30 DIEDMO CCCCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201874654 1048394443 /nfs/dbraw/zinc/39/44/43/1048394443.db2.gz BQUAAVSZABNSQQ-ROUUACIJSA-N 1 1 308.510 4.070 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCc2cccnc21 ZINC000481430514 1048402646 /nfs/dbraw/zinc/40/26/46/1048402646.db2.gz AAZNOSYHCFJTJI-LJQANCHMSA-N 1 1 323.415 4.382 20 30 DIEDMO CC(C)(C)CC[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001175680015 1048414576 /nfs/dbraw/zinc/41/45/76/1048414576.db2.gz YLLLECBPSKJGNR-UHFFFAOYSA-N 1 1 321.468 4.434 20 30 DIEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481671455 1048452717 /nfs/dbraw/zinc/45/27/17/1048452717.db2.gz BPRMLPDEGSTZIZ-IERDGZPVSA-N 1 1 318.420 4.141 20 30 DIEDMO C[C@@H]1c2sccc2CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001175829846 1048456551 /nfs/dbraw/zinc/45/65/51/1048456551.db2.gz IOVBWLGULHFTHS-LLVKDONJSA-N 1 1 302.830 4.392 20 30 DIEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001175829846 1048456559 /nfs/dbraw/zinc/45/65/59/1048456559.db2.gz IOVBWLGULHFTHS-LLVKDONJSA-N 1 1 302.830 4.392 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCc2cccnc21 ZINC000482281344 1048584068 /nfs/dbraw/zinc/58/40/68/1048584068.db2.gz JPHGDHXSUKADPR-QGZVFWFLSA-N 1 1 311.454 4.304 20 30 DIEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCCc2cccnc21 ZINC000482275007 1048584496 /nfs/dbraw/zinc/58/44/96/1048584496.db2.gz GLOPRMMKYGRWNO-KRWDZBQOSA-N 1 1 311.454 4.304 20 30 DIEDMO C#Cc1ccc(C[NH2+]Cc2csc(-c3cccs3)n2)cc1 ZINC001202475312 1048598859 /nfs/dbraw/zinc/59/88/59/1048598859.db2.gz SYAKJFKRNUXFBD-UHFFFAOYSA-N 1 1 310.447 4.143 20 30 DIEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC000158606487 1048603535 /nfs/dbraw/zinc/60/35/35/1048603535.db2.gz GPAJNFDGEYJQEM-UXHICEINSA-N 1 1 309.457 4.165 20 30 DIEDMO C=CCC1(O)CC[NH+]([C@H](C)c2ccc(Cl)c(Cl)c2)CC1 ZINC001176272422 1048626106 /nfs/dbraw/zinc/62/61/06/1048626106.db2.gz ISGXQGJRUBHUGT-GFCCVEGCSA-N 1 1 314.256 4.457 20 30 DIEDMO C#CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000850447309 1048660903 /nfs/dbraw/zinc/66/09/03/1048660903.db2.gz FTZMNSKFQXCJLB-RDTXWAMCSA-N 1 1 324.380 4.019 20 30 DIEDMO CCCCN(CC#N)c1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC001165159877 1048662763 /nfs/dbraw/zinc/66/27/63/1048662763.db2.gz MJFZZRGCXYACLT-GOSISDBHSA-N 1 1 314.477 4.149 20 30 DIEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001176365427 1048662739 /nfs/dbraw/zinc/66/27/39/1048662739.db2.gz PTNHBWAJSAPUIZ-BEFAXECRSA-N 1 1 308.400 4.465 20 30 DIEDMO C=C(Br)C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000160534030 1048707655 /nfs/dbraw/zinc/70/76/55/1048707655.db2.gz VPERFSSNQYVLDQ-UHFFFAOYSA-N 1 1 300.583 4.084 20 30 DIEDMO C[N@H+]1CC[C@@H](c2ccc(NC(C)(C)c3ccc(C#N)cc3)cc2)C1 ZINC001165792424 1048717357 /nfs/dbraw/zinc/71/73/57/1048717357.db2.gz VGAZAPFWMMWQIE-GOSISDBHSA-N 1 1 319.452 4.325 20 30 DIEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC001190382583 1048724058 /nfs/dbraw/zinc/72/40/58/1048724058.db2.gz JLKKXEJQQNOEFY-ZDUSSCGKSA-N 1 1 300.352 4.072 20 30 DIEDMO Cc1cccc(C)c1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC001176554390 1048725262 /nfs/dbraw/zinc/72/52/62/1048725262.db2.gz DQBITEIYRRXZAX-UHFFFAOYSA-N 1 1 308.425 4.076 20 30 DIEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000483171654 1048752957 /nfs/dbraw/zinc/75/29/57/1048752957.db2.gz DEQRUGWSBXTFQJ-NSHDSACASA-N 1 1 322.239 4.397 20 30 DIEDMO C#CC[C@H]([NH2+]Cc1sccc1Br)c1ccccc1 ZINC000775400050 1048764275 /nfs/dbraw/zinc/76/42/75/1048764275.db2.gz HLUDAQVQUXQZJH-AWEZNQCLSA-N 1 1 320.255 4.365 20 30 DIEDMO C[C@@H](c1ccccc1)[N@H+](Cc1cc(C#N)n(C)c1)CC1CCC1 ZINC000483270514 1048768183 /nfs/dbraw/zinc/76/81/83/1048768183.db2.gz VEGWOMKZHWGDQS-INIZCTEOSA-N 1 1 307.441 4.260 20 30 DIEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)cc1C#N ZINC000483291784 1048773858 /nfs/dbraw/zinc/77/38/58/1048773858.db2.gz RTOJDRZAAFMWEM-NRFANRHFSA-N 1 1 315.420 4.387 20 30 DIEDMO Cn1cc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cc1C#N ZINC000483357184 1048784059 /nfs/dbraw/zinc/78/40/59/1048784059.db2.gz PBXSUUMRZJSJEH-NJYVYQBISA-N 1 1 319.452 4.055 20 30 DIEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000483403176 1048789398 /nfs/dbraw/zinc/78/93/98/1048789398.db2.gz HPLCHYOSHPXKET-IBGZPJMESA-N 1 1 312.363 4.000 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC001176813899 1048790846 /nfs/dbraw/zinc/79/08/46/1048790846.db2.gz HVZBVIFDEUSJBB-HNNXBMFYSA-N 1 1 317.230 4.148 20 30 DIEDMO C=C(C)CC[N@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001176892071 1048797963 /nfs/dbraw/zinc/79/79/63/1048797963.db2.gz QSQVTEYXGAOYLZ-UHFFFAOYSA-N 1 1 300.490 4.329 20 30 DIEDMO CCS[C@H]1CCCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001190935627 1048802920 /nfs/dbraw/zinc/80/29/20/1048802920.db2.gz SQVRDRMMOJYENS-INIZCTEOSA-N 1 1 308.878 4.319 20 30 DIEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001190935627 1048802932 /nfs/dbraw/zinc/80/29/32/1048802932.db2.gz SQVRDRMMOJYENS-INIZCTEOSA-N 1 1 308.878 4.319 20 30 DIEDMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001190944844 1048804089 /nfs/dbraw/zinc/80/40/89/1048804089.db2.gz SSDZMDDGEMCZCK-FQEVSTJZSA-N 1 1 308.400 4.251 20 30 DIEDMO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000483526914 1048815657 /nfs/dbraw/zinc/81/56/57/1048815657.db2.gz AXVVLGPUEHLHJG-GOSISDBHSA-N 1 1 318.445 4.485 20 30 DIEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000483526914 1048815669 /nfs/dbraw/zinc/81/56/69/1048815669.db2.gz AXVVLGPUEHLHJG-GOSISDBHSA-N 1 1 318.445 4.485 20 30 DIEDMO C=CCCCC[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001177039102 1048819287 /nfs/dbraw/zinc/81/92/87/1048819287.db2.gz TVOJXJQOTDPOMU-INIZCTEOSA-N 1 1 310.482 4.064 20 30 DIEDMO CC(C)[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1F ZINC000483600746 1048823216 /nfs/dbraw/zinc/82/32/16/1048823216.db2.gz NBVRIZUPCHVILS-UHFFFAOYSA-N 1 1 300.352 4.247 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CC1(Cl)Cl ZINC001167023622 1048832129 /nfs/dbraw/zinc/83/21/29/1048832129.db2.gz IMBQBMSHUYJLDX-HNNXBMFYSA-N 1 1 311.256 4.354 20 30 DIEDMO CCc1cc(C[N@@H+](CC)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000110494777 1048832866 /nfs/dbraw/zinc/83/28/66/1048832866.db2.gz ZDCMYYWAXXAUFS-CQSZACIVSA-N 1 1 302.462 4.234 20 30 DIEDMO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1ccc(OCC#N)cc1 ZINC000852311858 1048833312 /nfs/dbraw/zinc/83/33/12/1048833312.db2.gz NXTFGSYWNZFQIY-UHFFFAOYSA-N 1 1 314.454 4.451 20 30 DIEDMO Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328852 1048834180 /nfs/dbraw/zinc/83/41/80/1048834180.db2.gz OGVCGTRCLZEKAF-XLIONFOSSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1cccc([C@@H](C)[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852328852 1048834201 /nfs/dbraw/zinc/83/42/01/1048834201.db2.gz OGVCGTRCLZEKAF-XLIONFOSSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330563 1048836953 /nfs/dbraw/zinc/83/69/53/1048836953.db2.gz RAUMOHTXPCRSLH-PXNSSMCTSA-N 1 1 305.425 4.008 20 30 DIEDMO Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330563 1048836965 /nfs/dbraw/zinc/83/69/65/1048836965.db2.gz RAUMOHTXPCRSLH-PXNSSMCTSA-N 1 1 305.425 4.008 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000852412224 1048837347 /nfs/dbraw/zinc/83/73/47/1048837347.db2.gz ZQDSMMGTKWDAKO-JKSUJKDBSA-N 1 1 311.429 4.394 20 30 DIEDMO CC(C)([NH2+]Cc1ccc(Cl)nc1Cl)c1cccc(C#N)c1 ZINC000852353554 1048837766 /nfs/dbraw/zinc/83/77/66/1048837766.db2.gz LODZMACKFOODAA-UHFFFAOYSA-N 1 1 320.223 4.285 20 30 DIEDMO CCCCCCCCNC(=O)Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001191072256 1048840461 /nfs/dbraw/zinc/84/04/61/1048840461.db2.gz CWSPJWAVQONCCD-UHFFFAOYSA-N 1 1 317.477 4.157 20 30 DIEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2ccc(C#N)c(F)c2)c1 ZINC000483727226 1048852122 /nfs/dbraw/zinc/85/21/22/1048852122.db2.gz MUOZRGQNUKRCPM-XOBRGWDASA-N 1 1 324.399 4.289 20 30 DIEDMO Cc1ccc(C[N@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C#N ZINC001191084676 1048864275 /nfs/dbraw/zinc/86/42/75/1048864275.db2.gz CLCOOAQEEUANFO-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3C)OC[C@H]2C)cc1C#N ZINC001191084676 1048864285 /nfs/dbraw/zinc/86/42/85/1048864285.db2.gz CLCOOAQEEUANFO-DYESRHJHSA-N 1 1 320.436 4.137 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@H+](C)CC#Cc1ccccc1)CCC2 ZINC000484092021 1048900217 /nfs/dbraw/zinc/90/02/17/1048900217.db2.gz CGBFFSSEEKHFGT-KRWDZBQOSA-N 1 1 310.466 4.066 20 30 DIEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CC#Cc1ccccc1)CCC2 ZINC000484092021 1048900229 /nfs/dbraw/zinc/90/02/29/1048900229.db2.gz CGBFFSSEEKHFGT-KRWDZBQOSA-N 1 1 310.466 4.066 20 30 DIEDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000042741911 1048903020 /nfs/dbraw/zinc/90/30/20/1048903020.db2.gz ACVUYOPGGXEISC-CQSZACIVSA-N 1 1 309.369 4.050 20 30 DIEDMO Cc1ccc(C(C)(C)C[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC001191233873 1048904933 /nfs/dbraw/zinc/90/49/33/1048904933.db2.gz QIGHNADUMPNCEF-UHFFFAOYSA-N 1 1 322.452 4.155 20 30 DIEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC001191342123 1048919657 /nfs/dbraw/zinc/91/96/57/1048919657.db2.gz OVIRXKVTRVKEAZ-OAHLLOKOSA-N 1 1 308.372 4.170 20 30 DIEDMO COCC#CC[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001191341295 1048921420 /nfs/dbraw/zinc/92/14/20/1048921420.db2.gz MCFDSHQVAKESDP-VQTJNVASSA-N 1 1 303.490 4.240 20 30 DIEDMO N#CC1CCC(C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC001191329726 1048927406 /nfs/dbraw/zinc/92/74/06/1048927406.db2.gz JSTNAHYFIPEJLD-ABHNRTSZSA-N 1 1 314.498 4.431 20 30 DIEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001191477588 1048948886 /nfs/dbraw/zinc/94/88/86/1048948886.db2.gz ZBSRKFUWWCYWBR-YLJYHZDGSA-N 1 1 307.412 4.130 20 30 DIEDMO C#CCOc1ccccc1C[NH2+]Cc1c(Cl)cccc1CC ZINC001177880163 1048962361 /nfs/dbraw/zinc/96/23/61/1048962361.db2.gz DXOTYQXTZDEYHA-UHFFFAOYSA-N 1 1 313.828 4.204 20 30 DIEDMO C=CC[N@H+](Cc1nc(-c2cccs2)no1)CC1CCCCC1 ZINC000484564029 1048975062 /nfs/dbraw/zinc/97/50/62/1048975062.db2.gz FLIHHTIAJASVKC-UHFFFAOYSA-N 1 1 317.458 4.366 20 30 DIEDMO N#Cc1cc2c(ccn2-c2ccc([NH+]3CCCCC3)cc2)c(N)c1 ZINC001203718866 1048975745 /nfs/dbraw/zinc/97/57/45/1048975745.db2.gz FWXKANQJALGEGK-UHFFFAOYSA-N 1 1 316.408 4.075 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2cccnc2Br)CCCC1(C)C ZINC001205569848 1048977934 /nfs/dbraw/zinc/97/79/34/1048977934.db2.gz XWZZPZFGPBMZOP-CQSZACIVSA-N 1 1 323.278 4.411 20 30 DIEDMO N#Cc1cccc(C[N@@H+](CCCCCCO)Cc2ccccc2)c1 ZINC001203764066 1048992818 /nfs/dbraw/zinc/99/28/18/1048992818.db2.gz WVVHRZYSCLJSED-UHFFFAOYSA-N 1 1 322.452 4.113 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Sc3ccc(F)cc3)C2)c1 ZINC001203763619 1048993185 /nfs/dbraw/zinc/99/31/85/1048993185.db2.gz DEUKGWPCBWVDOG-SFHVURJKSA-N 1 1 312.413 4.064 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC001203764162 1048993422 /nfs/dbraw/zinc/99/34/22/1048993422.db2.gz ZYVGIIKAHRPZRO-FQEVSTJZSA-N 1 1 320.436 4.022 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001203763852 1048993865 /nfs/dbraw/zinc/99/38/65/1048993865.db2.gz OYZKTFYUPQTKNW-LJQANCHMSA-N 1 1 306.409 4.042 20 30 DIEDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001203763852 1048993874 /nfs/dbraw/zinc/99/38/74/1048993874.db2.gz OYZKTFYUPQTKNW-LJQANCHMSA-N 1 1 306.409 4.042 20 30 DIEDMO C#CCC[N@H+](Cc1ccccc1Br)C1CCCC1 ZINC001191743612 1048995887 /nfs/dbraw/zinc/99/58/87/1048995887.db2.gz UFUIRLCYEAMUJN-UHFFFAOYSA-N 1 1 306.247 4.217 20 30 DIEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000776794646 1049014054 /nfs/dbraw/zinc/01/40/54/1049014054.db2.gz FVFONAXUOJQKSJ-LJQANCHMSA-N 1 1 312.363 4.482 20 30 DIEDMO N#CCC[N@H+](Cc1ccc(Br)cc1)C1CCCC1 ZINC001203909725 1049027056 /nfs/dbraw/zinc/02/70/56/1049027056.db2.gz CFJRGWBFPZQLSF-UHFFFAOYSA-N 1 1 307.235 4.107 20 30 DIEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001203900085 1049027552 /nfs/dbraw/zinc/02/75/52/1049027552.db2.gz QOOASKAPOIBNSL-UHFFFAOYSA-N 1 1 313.404 4.156 20 30 DIEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccccn2)cc1 ZINC001203900085 1049027569 /nfs/dbraw/zinc/02/75/69/1049027569.db2.gz QOOASKAPOIBNSL-UHFFFAOYSA-N 1 1 313.404 4.156 20 30 DIEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCc2ccc(Cl)cc21 ZINC001203904978 1049028286 /nfs/dbraw/zinc/02/82/86/1049028286.db2.gz MXGBFJWMJWIUDF-AWEZNQCLSA-N 1 1 310.828 4.373 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC001203903394 1049028765 /nfs/dbraw/zinc/02/87/65/1049028765.db2.gz DYBGUQSBQUEBFW-FQEVSTJZSA-N 1 1 306.409 4.294 20 30 DIEDMO COc1cccc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC001203906055 1049028868 /nfs/dbraw/zinc/02/88/68/1049028868.db2.gz KEMIKYKQCQDNOC-FQEVSTJZSA-N 1 1 320.436 4.022 20 30 DIEDMO CCCCCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001192012688 1049032117 /nfs/dbraw/zinc/03/21/17/1049032117.db2.gz IYJOQVHFAXIAES-GOSISDBHSA-N 1 1 305.462 4.344 20 30 DIEDMO CCCCOc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001203972033 1049048803 /nfs/dbraw/zinc/04/88/03/1049048803.db2.gz BEEFOLUYPADQSG-UHFFFAOYSA-N 1 1 320.436 4.295 20 30 DIEDMO CCCCOc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001203972033 1049048811 /nfs/dbraw/zinc/04/88/11/1049048811.db2.gz BEEFOLUYPADQSG-UHFFFAOYSA-N 1 1 320.436 4.295 20 30 DIEDMO COc1ccc2ccccc2c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001203989977 1049054141 /nfs/dbraw/zinc/05/41/41/1049054141.db2.gz ORJYGVSNPXOXBO-XGBSXSJOSA-N 1 1 306.409 4.115 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC001192252150 1049059155 /nfs/dbraw/zinc/05/91/55/1049059155.db2.gz GMLFXEXQVWYERN-RTBURBONSA-N 1 1 300.490 4.328 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000904537498 1049083527 /nfs/dbraw/zinc/08/35/27/1049083527.db2.gz KAZVGGGSWRZYKL-GFCCVEGCSA-N 1 1 311.307 4.112 20 30 DIEDMO O=C1C=C2C[N@H+](Cc3ccc(-c4ccccc4)cc3)CC[C@H]2S1 ZINC001204134921 1049091910 /nfs/dbraw/zinc/09/19/10/1049091910.db2.gz HYYZXKJMWNVDQE-LJQANCHMSA-N 1 1 321.445 4.128 20 30 DIEDMO O=C1C=C2C[N@@H+](Cc3ccc(-c4ccccc4)cc3)CCC2S1 ZINC001204134921 1049091925 /nfs/dbraw/zinc/09/19/25/1049091925.db2.gz HYYZXKJMWNVDQE-LJQANCHMSA-N 1 1 321.445 4.128 20 30 DIEDMO O=C1C=C2C[N@H+](Cc3ccc(-c4ccccc4)cc3)CCC2S1 ZINC001204134921 1049091940 /nfs/dbraw/zinc/09/19/40/1049091940.db2.gz HYYZXKJMWNVDQE-LJQANCHMSA-N 1 1 321.445 4.128 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OCC)c1 ZINC001204189838 1049106379 /nfs/dbraw/zinc/10/63/79/1049106379.db2.gz GDADVZZFMSFLMI-UHFFFAOYSA-N 1 1 311.425 4.282 20 30 DIEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc1Cl ZINC001192491057 1049111205 /nfs/dbraw/zinc/11/12/05/1049111205.db2.gz ZKQQEJYCVBWNSX-UHFFFAOYSA-N 1 1 311.816 4.080 20 30 DIEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1Cl ZINC001192491057 1049111208 /nfs/dbraw/zinc/11/12/08/1049111208.db2.gz ZKQQEJYCVBWNSX-UHFFFAOYSA-N 1 1 311.816 4.080 20 30 DIEDMO C=CCCCC[N@H+]1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC001192513863 1049113128 /nfs/dbraw/zinc/11/31/28/1049113128.db2.gz AKMFDBDFRFNPNH-HXUWFJFHSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCN1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001192513863 1049113134 /nfs/dbraw/zinc/11/31/34/1049113134.db2.gz AKMFDBDFRFNPNH-HXUWFJFHSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCCCN1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC001192513863 1049113138 /nfs/dbraw/zinc/11/31/38/1049113138.db2.gz AKMFDBDFRFNPNH-HXUWFJFHSA-N 1 1 300.490 4.329 20 30 DIEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C(C)(F)F)cc2)no1 ZINC000904720933 1049132939 /nfs/dbraw/zinc/13/29/39/1049132939.db2.gz HUCYKOIRDRYSTR-CYBMUJFWSA-N 1 1 307.344 4.204 20 30 DIEDMO CCCCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001204316048 1049140976 /nfs/dbraw/zinc/14/09/76/1049140976.db2.gz OTXXTSFWNHKHBH-KRWDZBQOSA-N 1 1 300.446 4.381 20 30 DIEDMO CCCCCCCOc1ccc(C[N@@H+](C)CC(OC)OC)cc1 ZINC001204366483 1049150923 /nfs/dbraw/zinc/15/09/23/1049150923.db2.gz JOVQUQMCHRXBGV-UHFFFAOYSA-N 1 1 323.477 4.087 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC001204366861 1049151144 /nfs/dbraw/zinc/15/11/44/1049151144.db2.gz YNTWKRUPIBHIRA-HKUYNNGSSA-N 1 1 319.489 4.381 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)cc1 ZINC001204366863 1049151331 /nfs/dbraw/zinc/15/13/31/1049151331.db2.gz YNTWKRUPIBHIRA-MJGOQNOKSA-N 1 1 319.489 4.381 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1 ZINC001204368920 1049152931 /nfs/dbraw/zinc/15/29/31/1049152931.db2.gz JOCNAIQAKZVKRU-MJGOQNOKSA-N 1 1 319.489 4.239 20 30 DIEDMO COc1cccc(C[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC001204372990 1049153340 /nfs/dbraw/zinc/15/33/40/1049153340.db2.gz MDGXAEBRLLNNRV-GOSISDBHSA-N 1 1 320.436 4.022 20 30 DIEDMO C[N@@H+](CCc1ccc(C(F)(F)F)cc1)Cc1ccccc1C#N ZINC001204374760 1049153547 /nfs/dbraw/zinc/15/35/47/1049153547.db2.gz GWOLWFNLQBXSFI-UHFFFAOYSA-N 1 1 318.342 4.252 20 30 DIEDMO CCCCCCCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1 ZINC001204369698 1049153728 /nfs/dbraw/zinc/15/37/28/1049153728.db2.gz ZVBZFFACBIOAMV-FXAWDEMLSA-N 1 1 319.489 4.239 20 30 DIEDMO C=CC[N@H+](Cc1cc(C)c(F)cc1Br)C(C)C ZINC001204441473 1049161437 /nfs/dbraw/zinc/16/14/37/1049161437.db2.gz MSGOSKYPHCMMEL-UHFFFAOYSA-N 1 1 300.215 4.293 20 30 DIEDMO C=CC[N@@H+](Cc1cc(C)c(F)cc1Br)C(C)C ZINC001204441473 1049161443 /nfs/dbraw/zinc/16/14/43/1049161443.db2.gz MSGOSKYPHCMMEL-UHFFFAOYSA-N 1 1 300.215 4.293 20 30 DIEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC001204441243 1049162660 /nfs/dbraw/zinc/16/26/60/1049162660.db2.gz HNXOEDCJESYCOO-NRFANRHFSA-N 1 1 323.436 4.043 20 30 DIEDMO CCCCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001192976983 1049164085 /nfs/dbraw/zinc/16/40/85/1049164085.db2.gz SSMWSPSBNJLXLW-HNNXBMFYSA-N 1 1 308.432 4.305 20 30 DIEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1F ZINC001204472298 1049170204 /nfs/dbraw/zinc/17/02/04/1049170204.db2.gz KXSNUNZMXHXQKE-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C(F)(F)F)cc1F ZINC001204472298 1049170209 /nfs/dbraw/zinc/17/02/09/1049170209.db2.gz KXSNUNZMXHXQKE-UHFFFAOYSA-N 1 1 322.305 4.348 20 30 DIEDMO Cc1cc(C[N@@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)ccc1C#N ZINC001204480661 1049172755 /nfs/dbraw/zinc/17/27/55/1049172755.db2.gz VTBUCSKFGRWUGH-DNVCBOLYSA-N 1 1 308.400 4.384 20 30 DIEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000775563534 1049178040 /nfs/dbraw/zinc/17/80/40/1049178040.db2.gz UQZTXRRGABVLBD-GOSISDBHSA-N 1 1 309.413 4.121 20 30 DIEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(C)(C)C#N)cc2)no1 ZINC000775563534 1049178049 /nfs/dbraw/zinc/17/80/49/1049178049.db2.gz UQZTXRRGABVLBD-GOSISDBHSA-N 1 1 309.413 4.121 20 30 DIEDMO C#CC[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001204528173 1049183045 /nfs/dbraw/zinc/18/30/45/1049183045.db2.gz UCENWNJSVWRDCF-GOSISDBHSA-N 1 1 315.338 4.227 20 30 DIEDMO C#CC[N@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CCc2ccccc21 ZINC001204528173 1049183049 /nfs/dbraw/zinc/18/30/49/1049183049.db2.gz UCENWNJSVWRDCF-GOSISDBHSA-N 1 1 315.338 4.227 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Br)cc1F)C(C)(C)C ZINC001204556351 1049189972 /nfs/dbraw/zinc/18/99/72/1049189972.db2.gz ZAZNYPVMJIYESO-UHFFFAOYSA-N 1 1 300.215 4.375 20 30 DIEDMO N#Cc1csc(C[NH2+]Cc2cc(-c3ccccc3)cs2)n1 ZINC001179681278 1049196794 /nfs/dbraw/zinc/19/67/94/1049196794.db2.gz JQSPVWVXAZWBRQ-UHFFFAOYSA-N 1 1 311.435 4.033 20 30 DIEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2F)C2CCC2)cs1 ZINC001204632911 1049206317 /nfs/dbraw/zinc/20/63/17/1049206317.db2.gz OFVHDBHPCFKWKW-UHFFFAOYSA-N 1 1 300.402 4.314 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2F)C2CCC2)cs1 ZINC001204632911 1049206332 /nfs/dbraw/zinc/20/63/32/1049206332.db2.gz OFVHDBHPCFKWKW-UHFFFAOYSA-N 1 1 300.402 4.314 20 30 DIEDMO C#CC[N@H+](Cc1cnc(-c2ccc(C)c(C)c2)s1)CC1CC1 ZINC001204640480 1049208747 /nfs/dbraw/zinc/20/87/47/1049208747.db2.gz LQFTVCAJBGVCQJ-UHFFFAOYSA-N 1 1 310.466 4.272 20 30 DIEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2n[nH]cc21 ZINC001204698010 1049232945 /nfs/dbraw/zinc/23/29/45/1049232945.db2.gz YZPLWQUPZPWGQY-UHFFFAOYSA-N 1 1 318.424 4.093 20 30 DIEDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)ccc1C#N ZINC001179937721 1049234094 /nfs/dbraw/zinc/23/40/94/1049234094.db2.gz PDEZJLALMDFDRX-LIRRHRJNSA-N 1 1 324.399 4.289 20 30 DIEDMO C=CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)Cc1ccccc1 ZINC001179997640 1049246689 /nfs/dbraw/zinc/24/66/89/1049246689.db2.gz REHCMQPIHMZHFX-DHZHZOJOSA-N 1 1 306.453 4.454 20 30 DIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC(C)(C)C1 ZINC001204749553 1049251226 /nfs/dbraw/zinc/25/12/26/1049251226.db2.gz ABNKWZOJCAZOMI-IBGZPJMESA-N 1 1 314.473 4.223 20 30 DIEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1C ZINC001179966269 1049252018 /nfs/dbraw/zinc/25/20/18/1049252018.db2.gz IAQWGIDMHAIRMM-UHFFFAOYSA-N 1 1 311.425 4.200 20 30 DIEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC001180046974 1049254713 /nfs/dbraw/zinc/25/47/13/1049254713.db2.gz DOUSLQAZKGFLBH-UHFFFAOYSA-N 1 1 311.473 4.169 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCCC1(C)C ZINC001193920091 1049282600 /nfs/dbraw/zinc/28/26/00/1049282600.db2.gz JJVPTSMWTBDIEL-KRWDZBQOSA-N 1 1 319.420 4.301 20 30 DIEDMO C=CC[C@@H]1[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCCC1(C)C ZINC001193920091 1049282616 /nfs/dbraw/zinc/28/26/16/1049282616.db2.gz JJVPTSMWTBDIEL-KRWDZBQOSA-N 1 1 319.420 4.301 20 30 DIEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccc(Cl)cc1Cl ZINC001193913529 1049282746 /nfs/dbraw/zinc/28/27/46/1049282746.db2.gz KMVARPSYRXWBCM-ZDUSSCGKSA-N 1 1 315.288 4.494 20 30 DIEDMO N#Cc1cccc(C[N@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC001180108698 1049287952 /nfs/dbraw/zinc/28/79/52/1049287952.db2.gz WJPSFIHNLHUOJP-UHFFFAOYSA-N 1 1 323.415 4.080 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1cc(Cl)c2c(c1)OCCCO2 ZINC001193941941 1049295355 /nfs/dbraw/zinc/29/53/55/1049295355.db2.gz JMMBMGOAZFIYAU-OAHLLOKOSA-N 1 1 321.848 4.084 20 30 DIEDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC001180157559 1049301761 /nfs/dbraw/zinc/30/17/61/1049301761.db2.gz KXXHVQUBDAAIRC-UHFFFAOYSA-N 1 1 320.436 4.061 20 30 DIEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](Cc1ccccc1)OC ZINC001194052435 1049309246 /nfs/dbraw/zinc/30/92/46/1049309246.db2.gz VDOPKNAXTTVGCD-OAQYLSRUSA-N 1 1 309.453 4.322 20 30 DIEDMO CC[N@@H+](Cc1cc(C)ccc1NC)[C@@H](C)c1ccc(C#N)cc1 ZINC001180198471 1049313406 /nfs/dbraw/zinc/31/34/06/1049313406.db2.gz AWDVYALGHLKGTE-INIZCTEOSA-N 1 1 307.441 4.492 20 30 DIEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205055312 1049356364 /nfs/dbraw/zinc/35/63/64/1049356364.db2.gz GQNIHPMLYKOEPC-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)C1 ZINC001205055312 1049356376 /nfs/dbraw/zinc/35/63/76/1049356376.db2.gz GQNIHPMLYKOEPC-NSHDSACASA-N 1 1 301.739 4.204 20 30 DIEDMO COc1ccc(C[N@@H+](CC#Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC001180573966 1049378559 /nfs/dbraw/zinc/37/85/59/1049378559.db2.gz HCPOSWHAFGZPBV-SFHVURJKSA-N 1 1 319.448 4.347 20 30 DIEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC#Cc2ccccc2)c1 ZINC001180834330 1049408710 /nfs/dbraw/zinc/40/87/10/1049408710.db2.gz DQKYQUXOMSAIRS-LAUBAEHRSA-N 1 1 305.421 4.130 20 30 DIEDMO CCC1(CC)CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001180906344 1049416882 /nfs/dbraw/zinc/41/68/82/1049416882.db2.gz KRVITEFEJCEHAH-UHFFFAOYSA-N 1 1 313.489 4.417 20 30 DIEDMO CCCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[C@H](C)C1 ZINC001194715565 1049420206 /nfs/dbraw/zinc/42/02/06/1049420206.db2.gz RNALCGHZBJMFOK-VDGAXYAQSA-N 1 1 314.473 4.272 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000907675526 1049423476 /nfs/dbraw/zinc/42/34/76/1049423476.db2.gz FCTKNDBACYPZBZ-QGZVFWFLSA-N 1 1 314.473 4.350 20 30 DIEDMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907675526 1049423483 /nfs/dbraw/zinc/42/34/83/1049423483.db2.gz FCTKNDBACYPZBZ-QGZVFWFLSA-N 1 1 314.473 4.350 20 30 DIEDMO C=CC[C@@H]1[N@H+](Cc2cnn(CC3CCC3)c2)CCCC1(C)C ZINC001181297000 1049460978 /nfs/dbraw/zinc/46/09/78/1049460978.db2.gz IPZRQUPJWFNEBW-SFHVURJKSA-N 1 1 301.478 4.250 20 30 DIEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)c1ccccc1 ZINC000486726276 1049461523 /nfs/dbraw/zinc/46/15/23/1049461523.db2.gz BFDAXNDSBHTXKK-KRWDZBQOSA-N 1 1 308.425 4.076 20 30 DIEDMO C#C[C@@H](C)[N@H+](C)Cc1ccccc1Sc1cccc(OC)c1 ZINC001181296927 1049461698 /nfs/dbraw/zinc/46/16/98/1049461698.db2.gz GSWPYUXESNHQJM-OAHLLOKOSA-N 1 1 311.450 4.300 20 30 DIEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC2 ZINC000777218675 1049461995 /nfs/dbraw/zinc/46/19/95/1049461995.db2.gz FMDBBVKQGGEAOI-KRWDZBQOSA-N 1 1 320.436 4.153 20 30 DIEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)ccc1C#N ZINC000486734153 1049463636 /nfs/dbraw/zinc/46/36/36/1049463636.db2.gz GODMECVDRWDQMU-OAQYLSRUSA-N 1 1 320.436 4.048 20 30 DIEDMO C=CCCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC001181410811 1049469991 /nfs/dbraw/zinc/46/99/91/1049469991.db2.gz QGWQQHSODHYMSY-NRFANRHFSA-N 1 1 314.517 4.481 20 30 DIEDMO Cc1cc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000486787856 1049471398 /nfs/dbraw/zinc/47/13/98/1049471398.db2.gz LERKGUDAXFNGLT-ZDUSSCGKSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1C#N ZINC000486787856 1049471406 /nfs/dbraw/zinc/47/14/06/1049471406.db2.gz LERKGUDAXFNGLT-ZDUSSCGKSA-N 1 1 300.352 4.338 20 30 DIEDMO Cc1cc(C[N@H+](C)[C@H](C)c2ccc(F)c(F)c2)ccc1C#N ZINC000486795576 1049474735 /nfs/dbraw/zinc/47/47/35/1049474735.db2.gz QIIXUDFDQHTLPK-CYBMUJFWSA-N 1 1 300.352 4.338 20 30 DIEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)ccc1F ZINC001205479054 1049481174 /nfs/dbraw/zinc/48/11/74/1049481174.db2.gz QCURCJHDYPUQBD-QGZVFWFLSA-N 1 1 308.400 4.152 20 30 DIEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccc3Cl)C2)ccc1F ZINC001205493758 1049486246 /nfs/dbraw/zinc/48/62/46/1049486246.db2.gz OMNJXAZSINUETH-AWEZNQCLSA-N 1 1 314.791 4.340 20 30 DIEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC001205502296 1049488060 /nfs/dbraw/zinc/48/80/60/1049488060.db2.gz PBYNXTBRFZBRPX-KRWDZBQOSA-N 1 1 324.399 4.086 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC001195232568 1049493206 /nfs/dbraw/zinc/49/32/06/1049493206.db2.gz FHHOWTLFSAWTGL-SFHVURJKSA-N 1 1 321.505 4.404 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2F)s1 ZINC001205583787 1049502395 /nfs/dbraw/zinc/50/23/95/1049502395.db2.gz VBOYWADHNOJGGS-CYBMUJFWSA-N 1 1 302.418 4.490 20 30 DIEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC001205583780 1049502749 /nfs/dbraw/zinc/50/27/49/1049502749.db2.gz UWHFRAXKOGBADE-AWEZNQCLSA-N 1 1 310.235 4.004 20 30 DIEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001195259443 1049504999 /nfs/dbraw/zinc/50/49/99/1049504999.db2.gz XWAMFQUXGZOHBI-JTTJXQCZSA-N 1 1 318.411 4.302 20 30 DIEDMO C=C(Br)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC001195393881 1049524267 /nfs/dbraw/zinc/52/42/67/1049524267.db2.gz RYLVBNMAGICPDM-OAHLLOKOSA-N 1 1 312.226 4.131 20 30 DIEDMO C=C(Br)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC001195393881 1049524274 /nfs/dbraw/zinc/52/42/74/1049524274.db2.gz RYLVBNMAGICPDM-OAHLLOKOSA-N 1 1 312.226 4.131 20 30 DIEDMO C=CCCCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001195423747 1049529823 /nfs/dbraw/zinc/52/98/23/1049529823.db2.gz FRTCFHOAJZQBRT-OAGGEKHMSA-N 1 1 310.482 4.061 20 30 DIEDMO C=CCCCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001195423751 1049530695 /nfs/dbraw/zinc/53/06/95/1049530695.db2.gz FRTCFHOAJZQBRT-PMPSAXMXSA-N 1 1 310.482 4.061 20 30 DIEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000119378353 1049552783 /nfs/dbraw/zinc/55/27/83/1049552783.db2.gz JTAXCEGLBUIJIL-QGZVFWFLSA-N 1 1 307.441 4.229 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC001195945974 1049597728 /nfs/dbraw/zinc/59/77/28/1049597728.db2.gz DFCATUNZZJAECA-LBPRGKRZSA-N 1 1 312.226 4.376 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)n2)no1 ZINC001205831281 1049578177 /nfs/dbraw/zinc/57/81/77/1049578177.db2.gz GWXBPXJHTPWCOF-AWEZNQCLSA-N 1 1 320.412 4.330 20 30 DIEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccccc2OC)no1 ZINC001205832210 1049578813 /nfs/dbraw/zinc/57/88/13/1049578813.db2.gz ZZDPATOHYYVCCQ-HNNXBMFYSA-N 1 1 317.433 4.496 20 30 DIEDMO CC1(C)C[C@@H](Nc2cccc(CC#N)c2)C[N@H+]1Cc1ccccc1 ZINC001205849764 1049582248 /nfs/dbraw/zinc/58/22/48/1049582248.db2.gz UHXSCNUYJAPPGX-HXUWFJFHSA-N 1 1 319.452 4.218 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC001195947029 1049598074 /nfs/dbraw/zinc/59/80/74/1049598074.db2.gz PSRZAEVNUDZSAF-CJNGLKHVSA-N 1 1 313.363 4.027 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC001195947178 1049599314 /nfs/dbraw/zinc/59/93/14/1049599314.db2.gz RBXXWFIGJXSFIL-HOTGVXAUSA-N 1 1 311.429 4.394 20 30 DIEDMO C=CC[N@H+](Cc1cccc(Br)n1)C1CCCCC1 ZINC001205989623 1049621979 /nfs/dbraw/zinc/62/19/79/1049621979.db2.gz ONLIEEVVJLDODF-UHFFFAOYSA-N 1 1 309.251 4.165 20 30 DIEDMO C=CC[N@H+](CCC(=O)Nc1cccc2ccccc21)C(C)(C)C ZINC001196198593 1049628157 /nfs/dbraw/zinc/62/81/57/1049628157.db2.gz OEXQROXGYBFBGF-UHFFFAOYSA-N 1 1 310.441 4.455 20 30 DIEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(OC)c3)C2)cc1 ZINC001206023468 1049632693 /nfs/dbraw/zinc/63/26/93/1049632693.db2.gz QAFUJFNCTPJBTB-HXUWFJFHSA-N 1 1 320.436 4.119 20 30 DIEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000119992944 1049649867 /nfs/dbraw/zinc/64/98/67/1049649867.db2.gz AAUWCTGEWRYKNC-CQSZACIVSA-N 1 1 300.427 4.061 20 30 DIEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC000794693893 1049670358 /nfs/dbraw/zinc/67/03/58/1049670358.db2.gz WXSRAEJAJGHLPB-UZLBHIALSA-N 1 1 308.425 4.063 20 30 DIEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC001196595724 1049673256 /nfs/dbraw/zinc/67/32/56/1049673256.db2.gz VZUWXWGUDIUGTK-QGZVFWFLSA-N 1 1 308.425 4.329 20 30 DIEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccc3c(c2)CC(=O)N3)cc1 ZINC001206235772 1049686651 /nfs/dbraw/zinc/68/66/51/1049686651.db2.gz JOEXSFNRGXHCRB-HXUWFJFHSA-N 1 1 318.420 4.171 20 30 DIEDMO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488674232 1049687478 /nfs/dbraw/zinc/68/74/78/1049687478.db2.gz PZYPVAYQSXNMDW-NWDGAFQWSA-N 1 1 300.324 4.128 20 30 DIEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000488674232 1049687481 /nfs/dbraw/zinc/68/74/81/1049687481.db2.gz PZYPVAYQSXNMDW-NWDGAFQWSA-N 1 1 300.324 4.128 20 30 DIEDMO C=C[C@@H]1CCCCN1C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000488859190 1049705292 /nfs/dbraw/zinc/70/52/92/1049705292.db2.gz DSJNPSNFXLLYQN-LJQANCHMSA-N 1 1 314.473 4.098 20 30 DIEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC001182765192 1049713549 /nfs/dbraw/zinc/71/35/49/1049713549.db2.gz RHEPLGYAUOCPFA-FQEVSTJZSA-N 1 1 307.412 4.404 20 30 DIEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(C)c1 ZINC000489033102 1049720571 /nfs/dbraw/zinc/72/05/71/1049720571.db2.gz ACYDQKHKZYYPRG-OAQYLSRUSA-N 1 1 322.452 4.030 20 30 DIEDMO C=C(Br)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000775765453 1049731983 /nfs/dbraw/zinc/73/19/83/1049731983.db2.gz KZDGCLGPXSTVOR-HNNXBMFYSA-N 1 1 323.278 4.326 20 30 DIEDMO C=C(Br)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000775765453 1049731990 /nfs/dbraw/zinc/73/19/90/1049731990.db2.gz KZDGCLGPXSTVOR-HNNXBMFYSA-N 1 1 323.278 4.326 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000489218572 1049734100 /nfs/dbraw/zinc/73/41/00/1049734100.db2.gz OZCZSMXTSRHWJS-UHFFFAOYSA-N 1 1 324.399 4.021 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489218572 1049734109 /nfs/dbraw/zinc/73/41/09/1049734109.db2.gz OZCZSMXTSRHWJS-UHFFFAOYSA-N 1 1 324.399 4.021 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1coc(-c2c(F)cccc2F)n1 ZINC000489440466 1049756864 /nfs/dbraw/zinc/75/68/64/1049756864.db2.gz PMBQTAQARGOREQ-CYBMUJFWSA-N 1 1 304.340 4.160 20 30 DIEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2c(F)cccc2F)n1 ZINC000489440466 1049756869 /nfs/dbraw/zinc/75/68/69/1049756869.db2.gz PMBQTAQARGOREQ-CYBMUJFWSA-N 1 1 304.340 4.160 20 30 DIEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000489466860 1049760033 /nfs/dbraw/zinc/76/00/33/1049760033.db2.gz ZRGOMLCXCNONPA-HXUWFJFHSA-N 1 1 320.436 4.479 20 30 DIEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000489549037 1049765407 /nfs/dbraw/zinc/76/54/07/1049765407.db2.gz MOVZPHYSUGKLLZ-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](C)c1cccc(OC)c1 ZINC000489549037 1049765432 /nfs/dbraw/zinc/76/54/32/1049765432.db2.gz MOVZPHYSUGKLLZ-AWEZNQCLSA-N 1 1 312.388 4.289 20 30 DIEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000489644434 1049772693 /nfs/dbraw/zinc/77/26/93/1049772693.db2.gz AZFRUHFHHNHMFK-FQEVSTJZSA-N 1 1 308.400 4.295 20 30 DIEDMO C=CC[N@H+](CCc1ccc(F)c(F)c1)Cc1cccc(C#N)c1 ZINC000490067466 1049798743 /nfs/dbraw/zinc/79/87/43/1049798743.db2.gz XPZSFDATMGTLNV-UHFFFAOYSA-N 1 1 312.363 4.067 20 30 DIEDMO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000490402446 1049830671 /nfs/dbraw/zinc/83/06/71/1049830671.db2.gz QGMQLYQUBDDCEH-WOJBJXKFSA-N 1 1 308.400 4.406 20 30 DIEDMO Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000490402446 1049830686 /nfs/dbraw/zinc/83/06/86/1049830686.db2.gz QGMQLYQUBDDCEH-WOJBJXKFSA-N 1 1 308.400 4.406 20 30 DIEDMO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001207411165 1049888654 /nfs/dbraw/zinc/88/86/54/1049888654.db2.gz GHUIVJIFFCQRPF-OALUTQOASA-N 1 1 318.505 4.280 20 30 DIEDMO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001207411167 1049889303 /nfs/dbraw/zinc/88/93/03/1049889303.db2.gz GHUIVJIFFCQRPF-RTBURBONSA-N 1 1 318.505 4.280 20 30 DIEDMO N#Cc1cc(C[N@H+](Cc2ccccc2Cl)CC2CC2)ccn1 ZINC000586776237 1049895436 /nfs/dbraw/zinc/89/54/36/1049895436.db2.gz GFFQJLIORYOPPB-UHFFFAOYSA-N 1 1 311.816 4.019 20 30 DIEDMO N#Cc1cc(C[N@@H+](Cc2ccccc2Cl)CC2CC2)ccn1 ZINC000586776237 1049895441 /nfs/dbraw/zinc/89/54/41/1049895441.db2.gz GFFQJLIORYOPPB-UHFFFAOYSA-N 1 1 311.816 4.019 20 30 DIEDMO C[C@@H]([NH2+]Cc1cscc1Br)c1cccc(C#N)c1 ZINC000586778348 1049895490 /nfs/dbraw/zinc/89/54/90/1049895490.db2.gz YJBUOQZONIWMDN-SNVBAGLBSA-N 1 1 321.243 4.233 20 30 DIEDMO N#C[C@@H]1CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1 ZINC001207525543 1049903875 /nfs/dbraw/zinc/90/38/75/1049903875.db2.gz CVWGJOYHGUITJB-GOSISDBHSA-N 1 1 304.437 4.444 20 30 DIEDMO C#CC[N@@H+](CC(Cc1ccccc1)Cc1ccccc1)C(C)C ZINC001207715718 1049929740 /nfs/dbraw/zinc/92/97/40/1049929740.db2.gz MDBHRQQRLWULNC-UHFFFAOYSA-N 1 1 305.465 4.432 20 30 DIEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(C(F)(F)F)c1 ZINC001207845917 1049945101 /nfs/dbraw/zinc/94/51/01/1049945101.db2.gz RNKAPJHUCBZVDR-XGBSXSJOSA-N 1 1 322.374 4.405 20 30 DIEDMO C=CCCCCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001207895606 1049949682 /nfs/dbraw/zinc/94/96/82/1049949682.db2.gz AMSVOWXNUSANTF-INIZCTEOSA-N 1 1 303.437 4.243 20 30 DIEDMO 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C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000595845385 1050673955 /nfs/dbraw/zinc/67/39/55/1050673955.db2.gz MZZVOCFGKHBWMR-GASCZTMLSA-N 1 1 306.331 4.260 20 30 DIEDMO N#CC1(CCC[N@H+]2CCCC[C@H]2CC2CCC2)CCOCC1 ZINC000595869382 1050675855 /nfs/dbraw/zinc/67/58/55/1050675855.db2.gz ASSTUJOCKQPATJ-SFHVURJKSA-N 1 1 304.478 4.132 20 30 DIEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1O ZINC000788517847 1050697247 /nfs/dbraw/zinc/69/72/47/1050697247.db2.gz FXIZUVWBDCQUGE-LLVKDONJSA-N 1 1 320.314 4.133 20 30 DIEDMO CCCCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741590108 1050711303 /nfs/dbraw/zinc/71/13/03/1050711303.db2.gz AWLQOADPQXXMOH-ZWKOTPCHSA-N 1 1 310.526 4.458 20 30 DIEDMO C[C@@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)c1cccc(C#N)c1 ZINC000788607701 1050713392 /nfs/dbraw/zinc/71/33/92/1050713392.db2.gz CCNRWELFEARHKV-SJKOYZFVSA-N 1 1 312.800 4.134 20 30 DIEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H]1c1cccnc1 ZINC001171221921 1050713864 /nfs/dbraw/zinc/71/38/64/1050713864.db2.gz XAUFGYMGFOGOAP-JXFKEZNVSA-N 1 1 305.425 4.111 20 30 DIEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC001171221689 1050714259 /nfs/dbraw/zinc/71/42/59/1050714259.db2.gz SEXLSTWCGRQZNR-QRWLVFNGSA-N 1 1 308.400 4.465 20 30 DIEDMO Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171228188 1050723014 /nfs/dbraw/zinc/72/30/14/1050723014.db2.gz FCVKZXJKZLDGDP-OXJNMPFZSA-N 1 1 305.425 4.030 20 30 DIEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230819 1050726059 /nfs/dbraw/zinc/72/60/59/1050726059.db2.gz YIPXFYHBOTXDPP-INIZCTEOSA-N 1 1 308.425 4.020 20 30 DIEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccccc1C ZINC000741774729 1050739236 /nfs/dbraw/zinc/73/92/36/1050739236.db2.gz ZYKYZHXHEUMACN-INIZCTEOSA-N 1 1 321.873 4.432 20 30 DIEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000741793860 1050743569 /nfs/dbraw/zinc/74/35/69/1050743569.db2.gz BZCHSADIFURZIQ-UONOGXRCSA-N 1 1 306.837 4.253 20 30 DIEDMO CC(C)[N@H+](CCC#N)Cc1cc2cc(Br)ccc2o1 ZINC000596985212 1050794036 /nfs/dbraw/zinc/79/40/36/1050794036.db2.gz BOGIANZBEJLPLU-UHFFFAOYSA-N 1 1 321.218 4.319 20 30 DIEDMO CC(C)[N@@H+](CCC#N)Cc1cc2cc(Br)ccc2o1 ZINC000596985212 1050794045 /nfs/dbraw/zinc/79/40/45/1050794045.db2.gz BOGIANZBEJLPLU-UHFFFAOYSA-N 1 1 321.218 4.319 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000846995927 1050794491 /nfs/dbraw/zinc/79/44/91/1050794491.db2.gz VBAMBEWXWGCWIZ-LLVKDONJSA-N 1 1 318.364 4.089 20 30 DIEDMO CCC[N@@H+](Cc1cc(COC)cs1)Cc1ccc(C#N)cc1 ZINC000596984073 1050794623 /nfs/dbraw/zinc/79/46/23/1050794623.db2.gz PJUGAEOKZFMICT-UHFFFAOYSA-N 1 1 314.454 4.178 20 30 DIEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc(O)cc3)cc2)CC1 ZINC000596999620 1050797672 /nfs/dbraw/zinc/79/76/72/1050797672.db2.gz FDVQCVRSTTWROB-FQEVSTJZSA-N 1 1 318.420 4.284 20 30 DIEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597084515 1050806667 /nfs/dbraw/zinc/80/66/67/1050806667.db2.gz VYVCTVMKOCHOHW-OXQOHEQNSA-N 1 1 317.436 4.220 20 30 DIEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597116965 1050808624 /nfs/dbraw/zinc/80/86/24/1050808624.db2.gz STIOZBLODIYRAN-SWLSCSKDSA-N 1 1 308.347 4.014 20 30 DIEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597111246 1050809167 /nfs/dbraw/zinc/80/91/67/1050809167.db2.gz XLRFTNGTKKQDBT-HNNXBMFYSA-N 1 1 322.374 4.405 20 30 DIEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC(C)(C)C1 ZINC000597131607 1050812521 /nfs/dbraw/zinc/81/25/21/1050812521.db2.gz BTQXFOUBNJGLRM-SFHVURJKSA-N 1 1 312.457 4.021 20 30 DIEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001171267918 1050812744 /nfs/dbraw/zinc/81/27/44/1050812744.db2.gz UKPGVCAKIAQBQO-SFHVURJKSA-N 1 1 308.400 4.465 20 30 DIEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469308 1050816096 /nfs/dbraw/zinc/81/60/96/1050816096.db2.gz OFNZIEXSFKGWMU-MRXNPFEDSA-N 1 1 324.424 4.029 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597174566 1050818047 /nfs/dbraw/zinc/81/80/47/1050818047.db2.gz RAXDXIFTHYAYDO-QGZVFWFLSA-N 1 1 320.436 4.488 20 30 DIEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3Cl)s2)C1 ZINC000597193977 1050819319 /nfs/dbraw/zinc/81/93/19/1050819319.db2.gz LRGGGQABHUSRIF-UHFFFAOYSA-N 1 1 302.830 4.414 20 30 DIEDMO COc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175035 1050819351 /nfs/dbraw/zinc/81/93/51/1050819351.db2.gz UVPDSKKEPYFUGN-KRWDZBQOSA-N 1 1 320.436 4.488 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597229941 1050826148 /nfs/dbraw/zinc/82/61/48/1050826148.db2.gz ODVCCWVTPHGBHF-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccccc1-c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597229941 1050826160 /nfs/dbraw/zinc/82/61/60/1050826160.db2.gz ODVCCWVTPHGBHF-HXUWFJFHSA-N 1 1 306.409 4.098 20 30 DIEDMO COc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)cc1C#N ZINC000742371293 1050834538 /nfs/dbraw/zinc/83/45/38/1050834538.db2.gz OOQVMBPZUTVINL-GFCCVEGCSA-N 1 1 323.421 4.027 20 30 DIEDMO COc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1C#N ZINC000742371294 1050835907 /nfs/dbraw/zinc/83/59/07/1050835907.db2.gz OOQVMBPZUTVINL-LBPRGKRZSA-N 1 1 323.421 4.027 20 30 DIEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000789554432 1050849857 /nfs/dbraw/zinc/84/98/57/1050849857.db2.gz HWSNVULYPOTECV-SFHVURJKSA-N 1 1 311.404 4.156 20 30 DIEDMO CC(=[NH+]NCc1cccc(Cl)c1Cl)c1ccc(N)cc1C ZINC000790182082 1050919946 /nfs/dbraw/zinc/91/99/46/1050919946.db2.gz WHCISAAIIJKNNI-UHFFFAOYSA-N 1 1 322.239 4.398 20 30 DIEDMO CCCCCCCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000742720985 1050925747 /nfs/dbraw/zinc/92/57/47/1050925747.db2.gz VXKUNZCTXRIQLG-AYHJJNSGSA-N 1 1 308.510 4.259 20 30 DIEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000773002776 1051016974 /nfs/dbraw/zinc/01/69/74/1051016974.db2.gz UBRJBQYABSSIBP-LBPRGKRZSA-N 1 1 316.626 4.005 20 30 DIEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCOc2ccccc2C#N)C1 ZINC001170147604 1051022839 /nfs/dbraw/zinc/02/28/39/1051022839.db2.gz ABGGWULDPXQWDH-FXAWDEMLSA-N 1 1 320.436 4.410 20 30 DIEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]ccc2ccn(C)c21 ZINC001171373144 1051030474 /nfs/dbraw/zinc/03/04/74/1051030474.db2.gz PFXXCLDGZZGCCT-AWEZNQCLSA-N 1 1 307.397 4.311 20 30 DIEDMO CCCCCCCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000743674951 1051051662 /nfs/dbraw/zinc/05/16/62/1051051662.db2.gz OOKUXUXSWCKIRH-AYHJJNSGSA-N 1 1 323.525 4.052 20 30 DIEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1F ZINC000791570127 1051057774 /nfs/dbraw/zinc/05/77/74/1051057774.db2.gz YSFAWRPJWWUBGH-LJQANCHMSA-N 1 1 317.379 4.077 20 30 DIEDMO CCCCCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000791613101 1051063069 /nfs/dbraw/zinc/06/30/69/1051063069.db2.gz BCNUIMBGGDUUPA-AWEZNQCLSA-N 1 1 324.490 4.345 20 30 DIEDMO C#CC[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000773113854 1051067533 /nfs/dbraw/zinc/06/75/33/1051067533.db2.gz GBQHNQRRTOSZSD-JOCHJYFZSA-N 1 1 318.464 4.005 20 30 DIEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000743857954 1051080186 /nfs/dbraw/zinc/08/01/86/1051080186.db2.gz YQSWNFNTUUTSCQ-FOIQADDNSA-N 1 1 324.399 4.311 20 30 DIEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876371 1051087454 /nfs/dbraw/zinc/08/74/54/1051087454.db2.gz YXDRRWWHWCTDGW-QFBILLFUSA-N 1 1 324.424 4.393 20 30 DIEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](c2ccco2)C1 ZINC000743876393 1051087733 /nfs/dbraw/zinc/08/77/33/1051087733.db2.gz ZNCPVVFKAYXWFD-CRAIPNDOSA-N 1 1 310.397 4.155 20 30 DIEDMO CC1(C)c2ccccc2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC001171416245 1051101883 /nfs/dbraw/zinc/10/18/83/1051101883.db2.gz AIFUSKCLLQDGMH-UHFFFAOYSA-N 1 1 320.436 4.121 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(O)ccc2ccncc21 ZINC000744153854 1051121903 /nfs/dbraw/zinc/12/19/03/1051121903.db2.gz MDEBSKDWIGJELL-UHFFFAOYSA-N 1 1 318.420 4.171 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171459298 1051140518 /nfs/dbraw/zinc/14/05/18/1051140518.db2.gz SRMOFNUGRMWTNB-FUHWJXTLSA-N 1 1 312.457 4.215 20 30 DIEDMO C[C@@H](Cc1ccccc1Cl)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001170277213 1051182023 /nfs/dbraw/zinc/18/20/23/1051182023.db2.gz QXJWEXUVUOVIEK-AWEZNQCLSA-N 1 1 310.828 4.201 20 30 DIEDMO N#CC[C@@H]1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388840 1051194955 /nfs/dbraw/zinc/19/49/55/1051194955.db2.gz HKWGBXPVFUPWQX-KKXNLOMOSA-N 1 1 307.441 4.016 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001170389477 1051195085 /nfs/dbraw/zinc/19/50/85/1051195085.db2.gz UNNUCXVJZAXHDJ-IPJUCJBFSA-N 1 1 300.421 4.072 20 30 DIEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001170389449 1051196032 /nfs/dbraw/zinc/19/60/32/1051196032.db2.gz SUZJXZNPVUPNTG-GTPINHCMSA-N 1 1 322.374 4.275 20 30 DIEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1(F)F ZINC001170379234 1051199465 /nfs/dbraw/zinc/19/94/65/1051199465.db2.gz UTPJJZAJISVWBG-FAEJEUNOSA-N 1 1 318.411 4.368 20 30 DIEDMO CCCCCCC[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001171809584 1051225829 /nfs/dbraw/zinc/22/58/29/1051225829.db2.gz HOCVTDXXXWUATC-FQEVSTJZSA-N 1 1 302.506 4.206 20 30 DIEDMO CCCCCCCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001171809584 1051225837 /nfs/dbraw/zinc/22/58/37/1051225837.db2.gz HOCVTDXXXWUATC-FQEVSTJZSA-N 1 1 302.506 4.206 20 30 DIEDMO CCCCCCCN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001171809584 1051225852 /nfs/dbraw/zinc/22/58/52/1051225852.db2.gz HOCVTDXXXWUATC-FQEVSTJZSA-N 1 1 302.506 4.206 20 30 DIEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC001171848047 1051232730 /nfs/dbraw/zinc/23/27/30/1051232730.db2.gz WKIUKAFKHIDMBI-HNNXBMFYSA-N 1 1 312.413 4.138 20 30 DIEDMO CCCCN(CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171988905 1051256424 /nfs/dbraw/zinc/25/64/24/1051256424.db2.gz XBODNFYBBDTCKN-IBGZPJMESA-N 1 1 313.489 4.055 20 30 DIEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171975790 1051262885 /nfs/dbraw/zinc/26/28/85/1051262885.db2.gz ZRCGDFCRAZZXRG-ZFZWDLNGSA-N 1 1 322.374 4.403 20 30 DIEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC#Cc2ccccc2)cc1 ZINC001170429626 1051282683 /nfs/dbraw/zinc/28/26/83/1051282683.db2.gz RMRNJHVXLKSOEX-QFIPXVFZSA-N 1 1 316.448 4.473 20 30 DIEDMO C=CCn1c(C)nn(C[N@@H+](CCCC)C2CCCCC2)c1=S ZINC000746044123 1051308516 /nfs/dbraw/zinc/30/85/16/1051308516.db2.gz HYEOWBIFKWKWIF-UHFFFAOYSA-N 1 1 322.522 4.301 20 30 DIEDMO C=CCn1c(C)nn(C[N@H+](CCCC)C2CCCCC2)c1=S ZINC000746044123 1051308526 /nfs/dbraw/zinc/30/85/26/1051308526.db2.gz HYEOWBIFKWKWIF-UHFFFAOYSA-N 1 1 322.522 4.301 20 30 DIEDMO CCCCCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172187058 1051309390 /nfs/dbraw/zinc/30/93/90/1051309390.db2.gz VJWHTMCSYXPKRC-ROUUACIJSA-N 1 1 308.510 4.212 20 30 DIEDMO CC(C)P(CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(C)C ZINC001172303950 1051333418 /nfs/dbraw/zinc/33/34/18/1051333418.db2.gz GUCLSQVBSZQMHT-INIZCTEOSA-N 1 1 304.418 4.378 20 30 DIEDMO Cc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172311046 1051335389 /nfs/dbraw/zinc/33/53/89/1051335389.db2.gz NSBUPYUQPBNIBM-UZLBHIALSA-N 1 1 305.425 4.030 20 30 DIEDMO COc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)Cc2ccc(C#N)cc2)cc1 ZINC001172307974 1051336222 /nfs/dbraw/zinc/33/62/22/1051336222.db2.gz RSUHBKQURUXOAS-KKSFZXQISA-N 1 1 320.436 4.335 20 30 DIEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC001172314634 1051336957 /nfs/dbraw/zinc/33/69/57/1051336957.db2.gz KZRUUHYLKGIAHE-YWZLYKJASA-N 1 1 308.400 4.465 20 30 DIEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC001172316534 1051338306 /nfs/dbraw/zinc/33/83/06/1051338306.db2.gz UFUXLZLZULVXMZ-CQSZACIVSA-N 1 1 321.449 4.231 20 30 DIEDMO COc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172320017 1051341280 /nfs/dbraw/zinc/34/12/80/1051341280.db2.gz SOGXHIAWOJKHFJ-JKSUJKDBSA-N 1 1 308.425 4.191 20 30 DIEDMO N#Cc1c(F)cccc1CNc1ccc([NH+]2CCCCC2)cc1 ZINC000793859626 1051345099 /nfs/dbraw/zinc/34/50/99/1051345099.db2.gz VUKKWTOLCHFPES-UHFFFAOYSA-N 1 1 309.388 4.300 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CCCN(c2ncccn2)CC1 ZINC001172353747 1051369517 /nfs/dbraw/zinc/36/95/17/1051369517.db2.gz BCLLGRHKJYDLCC-SFHVURJKSA-N 1 1 318.509 4.128 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001172353907 1051369922 /nfs/dbraw/zinc/36/99/22/1051369922.db2.gz BXNXVCIDTFZWCD-ROUUACIJSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001172353906 1051370180 /nfs/dbraw/zinc/37/01/80/1051370180.db2.gz BXNXVCIDTFZWCD-QZTJIDSGSA-N 1 1 321.509 4.100 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@H+]1CCc2onc(COC)c2C1 ZINC001172355677 1051370597 /nfs/dbraw/zinc/37/05/97/1051370597.db2.gz QSLWXLOEDRYUPR-OAHLLOKOSA-N 1 1 308.466 4.318 20 30 DIEDMO CCCCCCC[C@@H](CC)[N@@H+](C)Cc1nnc2ccccn21 ZINC001172359590 1051371723 /nfs/dbraw/zinc/37/17/23/1051371723.db2.gz YQVKASGKLOEHHG-MRXNPFEDSA-N 1 1 302.466 4.300 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001172357156 1051372272 /nfs/dbraw/zinc/37/22/72/1051372272.db2.gz JCCIPENKSDACPH-ILXRZTDVSA-N 1 1 309.416 4.228 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001172362114 1051373936 /nfs/dbraw/zinc/37/39/36/1051373936.db2.gz SNAONYMLODRANX-OKZBNKHCSA-N 1 1 308.510 4.068 20 30 DIEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000183780014 1051413838 /nfs/dbraw/zinc/41/38/38/1051413838.db2.gz BAUKMTXJFPUSLK-NSHDSACASA-N 1 1 318.779 4.210 20 30 DIEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2c3ccccc3[C@H](OCC3CC3)[C@H]2C1 ZINC001172497217 1051419033 /nfs/dbraw/zinc/41/90/33/1051419033.db2.gz ACOSBFOSTYSDIT-DVMWJLJYSA-N 1 1 324.468 4.266 20 30 DIEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001172499323 1051421030 /nfs/dbraw/zinc/42/10/30/1051421030.db2.gz CWYLHOJUGARPIJ-RHSMWYFYSA-N 1 1 306.837 4.266 20 30 DIEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172504536 1051422514 /nfs/dbraw/zinc/42/25/14/1051422514.db2.gz FZGAFQNCZYGLDY-QZTJIDSGSA-N 1 1 306.498 4.444 20 30 DIEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001172512006 1051428197 /nfs/dbraw/zinc/42/81/97/1051428197.db2.gz XTVUUEMDZBDJBN-ZWKOTPCHSA-N 1 1 306.498 4.444 20 30 DIEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)Cc2ccccc21 ZINC001168859459 1051453833 /nfs/dbraw/zinc/45/38/33/1051453833.db2.gz OQNSCSPSJKMBQM-UHFFFAOYSA-N 1 1 309.840 4.485 20 30 DIEDMO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001172616049 1051461403 /nfs/dbraw/zinc/46/14/03/1051461403.db2.gz KETXKXSDENQDRB-SJLPKXTDSA-N 1 1 320.477 4.047 20 30 DIEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+](CCC#N)Cc1cccnc1 ZINC001169069242 1051506162 /nfs/dbraw/zinc/50/61/62/1051506162.db2.gz FORHSOWOKFZFDN-NRFANRHFSA-N 1 1 321.468 4.455 20 30 DIEDMO CC(C)C[C@@H](Cc1ccccc1)[N@@H+](CCC#N)Cc1cccnc1 ZINC001169069242 1051506177 /nfs/dbraw/zinc/50/61/77/1051506177.db2.gz FORHSOWOKFZFDN-NRFANRHFSA-N 1 1 321.468 4.455 20 30 DIEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172870782 1051556881 /nfs/dbraw/zinc/55/68/81/1051556881.db2.gz FESIDYKZCNRWTE-ZDUSSCGKSA-N 1 1 316.807 4.414 20 30 DIEDMO C[C@@H](CSc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172881225 1051563446 /nfs/dbraw/zinc/56/34/46/1051563446.db2.gz FPQKNPWSOHNWQZ-KBPBESRZSA-N 1 1 308.878 4.446 20 30 DIEDMO C=CC[N@@H+](C1CCC(OC(=O)c2ccccc2)CC1)C(C)(C)C ZINC001169305202 1051581953 /nfs/dbraw/zinc/58/19/53/1051581953.db2.gz BGXRAICOFOHDBN-UHFFFAOYSA-N 1 1 315.457 4.441 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1C[C@H](C)c2ccccc21 ZINC001169365203 1051589295 /nfs/dbraw/zinc/58/92/95/1051589295.db2.gz NGUMZWMNQICBEJ-SUMWQHHRSA-N 1 1 304.397 4.278 20 30 DIEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H]1C[C@@H](C)c2ccccc21 ZINC001169365199 1051589681 /nfs/dbraw/zinc/58/96/81/1051589681.db2.gz NGUMZWMNQICBEJ-DYVFJYSZSA-N 1 1 304.397 4.278 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC=CC(=O)C(F)(F)F)cc1 ZINC001169480213 1051623148 /nfs/dbraw/zinc/62/31/48/1051623148.db2.gz ALFRDLNHRURUOJ-BOLDSZDNSA-N 1 1 324.346 4.067 20 30 DIEDMO C=CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173231621 1051640592 /nfs/dbraw/zinc/64/05/92/1051640592.db2.gz NEFLDXCNVLUIGY-OAHLLOKOSA-N 1 1 302.418 4.347 20 30 DIEDMO CCc1ccc(C[C@@H](C)[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001173253064 1051654599 /nfs/dbraw/zinc/65/45/99/1051654599.db2.gz PRRVFPHTCMJUKC-MRXNPFEDSA-N 1 1 304.437 4.110 20 30 DIEDMO CCc1ccc(C[C@@H](C)[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001173253220 1051655247 /nfs/dbraw/zinc/65/52/47/1051655247.db2.gz RDWRFJLBLZAGPV-MRXNPFEDSA-N 1 1 304.437 4.110 20 30 DIEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001173309759 1051681800 /nfs/dbraw/zinc/68/18/00/1051681800.db2.gz KWJJZLUALWRYIN-IAGOWNOFSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@@H+]1CCn2c(C)nnc2C1 ZINC001173309633 1051682477 /nfs/dbraw/zinc/68/24/77/1051682477.db2.gz IURBBTYJDLIRSA-KRWDZBQOSA-N 1 1 306.498 4.321 20 30 DIEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCn2c(C)nnc2C1 ZINC001173309633 1051682486 /nfs/dbraw/zinc/68/24/86/1051682486.db2.gz IURBBTYJDLIRSA-KRWDZBQOSA-N 1 1 306.498 4.321 20 30 DIEDMO Cc1cc(C(F)(F)F)cc(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001169743703 1051683567 /nfs/dbraw/zinc/68/35/67/1051683567.db2.gz LOLBJFUGRANYHL-UHFFFAOYSA-N 1 1 309.335 4.437 20 30 DIEDMO C[N@H+](Cc1cccc2[nH]ccc21)Cc1ccc(Cl)cc1C#N ZINC000494077717 1051687552 /nfs/dbraw/zinc/68/75/52/1051687552.db2.gz IILZHSJZAQSTKU-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1ccc(Cl)cc1C#N ZINC000494077717 1051687556 /nfs/dbraw/zinc/68/75/56/1051687556.db2.gz IILZHSJZAQSTKU-UHFFFAOYSA-N 1 1 309.800 4.325 20 30 DIEDMO C=CCOC1CCC([N@H+](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001173326529 1051694664 /nfs/dbraw/zinc/69/46/64/1051694664.db2.gz JJTLHBRWMRUSIA-LSJNQWAISA-N 1 1 303.446 4.202 20 30 DIEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC001173326711 1051694792 /nfs/dbraw/zinc/69/47/92/1051694792.db2.gz NYWXVHJTQXRHRY-IPJUCJBFSA-N 1 1 303.421 4.129 20 30 DIEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2cccc(OC)c2)CC1 ZINC001173326761 1051694865 /nfs/dbraw/zinc/69/48/65/1051694865.db2.gz PTFSSSDSQRGGNU-QLOJAFMTSA-N 1 1 315.457 4.346 20 30 DIEDMO C[N@@H+](Cc1cccc(Br)c1)C1CCC(CC#N)CC1 ZINC001173331560 1051697036 /nfs/dbraw/zinc/69/70/36/1051697036.db2.gz PXKWJLBZYDDSHV-UHFFFAOYSA-N 1 1 321.262 4.353 20 30 DIEDMO Cc1cc(C[N@@H+](Cc2ccccc2)C2CCC(CC#N)CC2)on1 ZINC001173336780 1051697183 /nfs/dbraw/zinc/69/71/83/1051697183.db2.gz LJDSKGCLZAPTLG-UHFFFAOYSA-N 1 1 323.440 4.458 20 30 DIEDMO N#CCC1CCC([N@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173336629 1051697513 /nfs/dbraw/zinc/69/75/13/1051697513.db2.gz HCAHAGHMJLBYMA-JMLCCBQJSA-N 1 1 318.848 4.186 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCOC[C@H]2c2ccccc2Cl)CC1 ZINC001173336629 1051697522 /nfs/dbraw/zinc/69/75/22/1051697522.db2.gz HCAHAGHMJLBYMA-JMLCCBQJSA-N 1 1 318.848 4.186 20 30 DIEDMO Cc1ccccc1O[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173340314 1051699642 /nfs/dbraw/zinc/69/96/42/1051699642.db2.gz ZWCDRDJJFVINTE-ACBHZAAOSA-N 1 1 312.457 4.311 20 30 DIEDMO N#CCC1CCC([N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC001173340327 1051701557 /nfs/dbraw/zinc/70/15/57/1051701557.db2.gz VAMOILMOJXPLLN-XUJQIHCRSA-N 1 1 300.421 4.305 20 30 DIEDMO CCCCCCCCCC[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC001169791862 1051702062 /nfs/dbraw/zinc/70/20/62/1051702062.db2.gz OBSDXHJYAJHMRY-MOPGFXCFSA-N 1 1 311.510 4.397 20 30 DIEDMO C=CC[C@H]1[N@@H+](Cc2csc(C(=O)OC)c2)CCCC1(C)C ZINC001169845159 1051711086 /nfs/dbraw/zinc/71/10/86/1051711086.db2.gz SOZMBWMQENENDO-OAHLLOKOSA-N 1 1 307.459 4.101 20 30 DIEDMO C=CC[C@H]1[N@H+](C[C@@H](O)CCc2ccccc2)CCCC1(C)C ZINC001169843501 1051711292 /nfs/dbraw/zinc/71/12/92/1051711292.db2.gz FKETYCBAIJXPSD-RBUKOAKNSA-N 1 1 301.474 4.047 20 30 DIEDMO C#CCCC[N@H+](C)[C@H]1CCSc2ccc(Br)cc21 ZINC000766901528 1051733238 /nfs/dbraw/zinc/73/32/38/1051733238.db2.gz ZZCGZTYPEUNDIH-AWEZNQCLSA-N 1 1 324.287 4.331 20 30 DIEDMO CCCC1CCC([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001169953930 1051736537 /nfs/dbraw/zinc/73/65/37/1051736537.db2.gz 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C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCCCC(C)(C)C#N ZINC000618308040 1053293167 /nfs/dbraw/zinc/29/31/67/1053293167.db2.gz CTVJLBBNJNNJDR-MRXNPFEDSA-N 1 1 317.452 4.056 20 30 DIEDMO N#CC(CC[N@@H+]1CC=CCC1)(c1ccccc1)c1ccccc1 ZINC000618304575 1053293219 /nfs/dbraw/zinc/29/32/19/1053293219.db2.gz SUTLECCOXGSRHI-UHFFFAOYSA-N 1 1 302.421 4.148 20 30 DIEDMO CC[N@H+]1CC[C@H](Oc2ccc(/C=N/c3ccc(F)cc3)cc2)C1 ZINC001229357862 1053307375 /nfs/dbraw/zinc/30/73/75/1053307375.db2.gz YYOFSIZKSTXMGH-IOVUBPJKSA-N 1 1 312.388 4.049 20 30 DIEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2)o1)CC1CCCCC1 ZINC000069860005 1053312119 /nfs/dbraw/zinc/31/21/19/1053312119.db2.gz FZZUZEIYDLEAMW-UHFFFAOYSA-N 1 1 311.429 4.305 20 30 DIEDMO Cc1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)ccc1C#N ZINC000618594402 1053328679 /nfs/dbraw/zinc/32/86/79/1053328679.db2.gz SILMPHFTQZLPOU-LJQANCHMSA-N 1 1 308.450 4.157 20 30 DIEDMO CC(C)[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000182109118 1053354615 /nfs/dbraw/zinc/35/46/15/1053354615.db2.gz 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C=CCc1cccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001231010358 1053648624 /nfs/dbraw/zinc/64/86/24/1053648624.db2.gz PZAVLPSSMZJWJF-IBGZPJMESA-N 1 1 304.393 4.112 20 30 DIEDMO Cc1csc([C@H]([NH2+]CC#Cc2cccc(Cl)c2)C2CC2)n1 ZINC000183514921 1053670474 /nfs/dbraw/zinc/67/04/74/1053670474.db2.gz HAGYXBLXOMDIOA-MRXNPFEDSA-N 1 1 316.857 4.197 20 30 DIEDMO C[N@H+]1CCC[C@H](Oc2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC001231199764 1053699016 /nfs/dbraw/zinc/69/90/16/1053699016.db2.gz FOTAJKTYOINRSL-XSLGSPGOSA-N 1 1 308.425 4.300 20 30 DIEDMO CN(C)c1ccc2cc(C[N@H+]3CCC[C@H](C#N)CC3)ccc2c1 ZINC001231441749 1053753839 /nfs/dbraw/zinc/75/38/39/1053753839.db2.gz DQZIWWHQNGDOHT-INIZCTEOSA-N 1 1 307.441 4.031 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([C@@H](C)C(F)(F)F)cc2)C1 ZINC001326501256 1053786367 /nfs/dbraw/zinc/78/63/67/1053786367.db2.gz DOUQLLCRBWHIHB-CZUORRHYSA-N 1 1 313.363 4.129 20 30 DIEDMO C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C1CC(F)(F)C1 ZINC001231576695 1053786413 /nfs/dbraw/zinc/78/64/13/1053786413.db2.gz 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C=CC[N@@H+](Cc1ncc(C)cc1Br)C1CCCCC1 ZINC001232178318 1053979510 /nfs/dbraw/zinc/97/95/10/1053979510.db2.gz QYYQOQLDEXAUFW-UHFFFAOYSA-N 1 1 323.278 4.473 20 30 DIEDMO C=CC[N@H+](Cc1ncc(C)cc1Br)C1CCCCC1 ZINC001232178318 1053979515 /nfs/dbraw/zinc/97/95/15/1053979515.db2.gz QYYQOQLDEXAUFW-UHFFFAOYSA-N 1 1 323.278 4.473 20 30 DIEDMO C=CC[N@H+](Cc1ccc(NC(C)=O)cc1C)C1CCCCC1 ZINC001232190630 1053982333 /nfs/dbraw/zinc/98/23/33/1053982333.db2.gz QNOGTXUTFGRMEE-UHFFFAOYSA-N 1 1 300.446 4.274 20 30 DIEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(C)c1Br ZINC001232520960 1054064412 /nfs/dbraw/zinc/06/44/12/1054064412.db2.gz LAWRVPIFTJRITK-AWEZNQCLSA-N 1 1 321.262 4.192 20 30 DIEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(C)c1Br ZINC001232520960 1054064426 /nfs/dbraw/zinc/06/44/26/1054064426.db2.gz LAWRVPIFTJRITK-AWEZNQCLSA-N 1 1 321.262 4.192 20 30 DIEDMO C=CC(C)(C)CC[NH2+][C@@H](c1nccn1C)c1ccccc1Cl ZINC001331315260 1054070947 /nfs/dbraw/zinc/07/09/47/1054070947.db2.gz ORNCKDVPHMMGFW-MRXNPFEDSA-N 1 1 317.864 4.355 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001232608964 1054078904 /nfs/dbraw/zinc/07/89/04/1054078904.db2.gz CSDXTPFMDVAKMQ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001232608964 1054078914 /nfs/dbraw/zinc/07/89/14/1054078914.db2.gz CSDXTPFMDVAKMQ-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001232609136 1054079621 /nfs/dbraw/zinc/07/96/21/1054079621.db2.gz MJIVWVWRFARHHE-MRXNPFEDSA-N 1 1 310.828 4.276 20 30 DIEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001232609541 1054082616 /nfs/dbraw/zinc/08/26/16/1054082616.db2.gz HRTIHJCYGPJDNW-MRXNPFEDSA-N 1 1 306.812 4.316 20 30 DIEDMO CCC[N@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001232721840 1054108505 /nfs/dbraw/zinc/10/85/05/1054108505.db2.gz DNSKKFCXQRCFPV-UHFFFAOYSA-N 1 1 317.433 4.159 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001232721840 1054108514 /nfs/dbraw/zinc/10/85/14/1054108514.db2.gz DNSKKFCXQRCFPV-UHFFFAOYSA-N 1 1 317.433 4.159 20 30 DIEDMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)s2)c1 ZINC001232844101 1054129750 /nfs/dbraw/zinc/12/97/50/1054129750.db2.gz PBNPLOIKADZIIZ-SFHVURJKSA-N 1 1 312.438 4.356 20 30 DIEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2cc(Br)ncc12 ZINC001232861692 1054132893 /nfs/dbraw/zinc/13/28/93/1054132893.db2.gz BUCSMSZIYKUSTK-UHFFFAOYSA-N 1 1 322.250 4.114 20 30 DIEDMO C=C(C)COc1cc(C[NH2+]Cc2ccc(Cl)o2)ccc1OC ZINC000622266339 1054135693 /nfs/dbraw/zinc/13/56/93/1054135693.db2.gz XWFRZBKFAMKSLW-UHFFFAOYSA-N 1 1 321.804 4.186 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001232891949 1054142110 /nfs/dbraw/zinc/14/21/10/1054142110.db2.gz VIVURHXWHLOVDR-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001232891949 1054142117 /nfs/dbraw/zinc/14/21/17/1054142117.db2.gz VIVURHXWHLOVDR-CQSZACIVSA-N 1 1 314.791 4.340 20 30 DIEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232899592 1054143344 /nfs/dbraw/zinc/14/33/44/1054143344.db2.gz SBYAVZAKSOMAQF-CQSZACIVSA-N 1 1 307.235 4.085 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001232893940 1054144937 /nfs/dbraw/zinc/14/49/37/1054144937.db2.gz LMYKAZVMSHFVKY-QGZVFWFLSA-N 1 1 324.399 4.086 20 30 DIEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3C#N)C2)c1 ZINC001232893940 1054144943 /nfs/dbraw/zinc/14/49/43/1054144943.db2.gz LMYKAZVMSHFVKY-QGZVFWFLSA-N 1 1 324.399 4.086 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(F)c([O-])c1F ZINC001232934475 1054149252 /nfs/dbraw/zinc/14/92/52/1054149252.db2.gz GMOUCQBRNCXUFF-UHFFFAOYSA-N 1 1 303.352 4.249 20 30 DIEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C2CCCCC2)n1 ZINC001232923239 1054150606 /nfs/dbraw/zinc/15/06/06/1054150606.db2.gz SMTROHIAZXVCSL-UHFFFAOYSA-N 1 1 305.425 4.288 20 30 DIEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)o1 ZINC001333357348 1054151433 /nfs/dbraw/zinc/15/14/33/1054151433.db2.gz USDFMCBGBAHVRX-KRWDZBQOSA-N 1 1 316.445 4.427 20 30 DIEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(OC(F)F)nc1 ZINC001232955080 1054159753 /nfs/dbraw/zinc/15/97/53/1054159753.db2.gz VEPGQSDYQOTMTI-UHFFFAOYSA-N 1 1 318.367 4.261 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c(C#N)c1 ZINC001232966772 1054164046 /nfs/dbraw/zinc/16/40/46/1054164046.db2.gz VLJGWHIAVARNJG-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c(C#N)c1 ZINC001232966772 1054164055 /nfs/dbraw/zinc/16/40/55/1054164055.db2.gz VLJGWHIAVARNJG-IBGZPJMESA-N 1 1 308.450 4.157 20 30 DIEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC001333924517 1054175586 /nfs/dbraw/zinc/17/55/86/1054175586.db2.gz QIRAEZPWFLBVBL-UHFFFAOYSA-N 1 1 315.420 4.355 20 30 DIEDMO C#CC1CC[NH+](Cc2cc(Cl)c(OCC)c(Cl)c2)CC1 ZINC001233108864 1054185124 /nfs/dbraw/zinc/18/51/24/1054185124.db2.gz ZYJOYAQAYADZAK-UHFFFAOYSA-N 1 1 312.240 4.237 20 30 DIEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(Cl)c(F)c1 ZINC001334814338 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CCCC[N@H+](CCC#N)Cc1ccc2nc(Cl)ccc2c1 ZINC001233444295 1054274324 /nfs/dbraw/zinc/27/43/24/1054274324.db2.gz KQCTZDNWISNKTP-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO CCCC[N@@H+](CCC#N)Cc1ccc2nc(Cl)ccc2c1 ZINC001233444295 1054274332 /nfs/dbraw/zinc/27/43/32/1054274332.db2.gz KQCTZDNWISNKTP-UHFFFAOYSA-N 1 1 301.821 4.404 20 30 DIEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC001337637327 1054278215 /nfs/dbraw/zinc/27/82/15/1054278215.db2.gz XWOHJWODDWQXOH-OAHLLOKOSA-N 1 1 323.392 4.069 20 30 DIEDMO C[N@H+]1CCC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)CC1 ZINC001233511562 1054286263 /nfs/dbraw/zinc/28/62/63/1054286263.db2.gz JKUNRCNKWKSXTF-LJQANCHMSA-N 1 1 306.409 4.088 20 30 DIEDMO Cc1ccc(C[C@H](C#N)SCC[N@H+](C)Cc2ccccc2)cc1 ZINC001473023918 1054314555 /nfs/dbraw/zinc/31/45/55/1054314555.db2.gz WYLAJKDIXAXEPA-HXUWFJFHSA-N 1 1 324.493 4.295 20 30 DIEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001442105506 1054409357 /nfs/dbraw/zinc/40/93/57/1054409357.db2.gz 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20 30 DIEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3)c2O)C1 ZINC001234997132 1054640948 /nfs/dbraw/zinc/64/09/48/1054640948.db2.gz TYBHEXKZWRDFFO-MRXNPFEDSA-N 1 1 306.409 4.185 20 30 DIEDMO N#CCC[N@@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CCCC1 ZINC001235039406 1054643366 /nfs/dbraw/zinc/64/33/66/1054643366.db2.gz PRCSPNCKJSFHTC-UHFFFAOYSA-N 1 1 311.404 4.479 20 30 DIEDMO N#CCC[N@H+](Cc1c[nH]c(-c2ccccc2F)c1)C1CCCC1 ZINC001235039406 1054643370 /nfs/dbraw/zinc/64/33/70/1054643370.db2.gz PRCSPNCKJSFHTC-UHFFFAOYSA-N 1 1 311.404 4.479 20 30 DIEDMO CCCCCCCCC/C=C\C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001450355775 1054646220 /nfs/dbraw/zinc/64/62/20/1054646220.db2.gz VMSYIWPFICDNRT-ZCPJJFRWSA-N 1 1 320.521 4.238 20 30 DIEDMO CCCCCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001450407128 1054647907 /nfs/dbraw/zinc/64/79/07/1054647907.db2.gz HQEAPHYLMCUZMM-GOSISDBHSA-N 1 1 322.537 4.460 20 30 DIEDMO CCCCCCCCC[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235092951 1054653203 /nfs/dbraw/zinc/65/32/03/1054653203.db2.gz 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ZINC001238631227 1055702914 /nfs/dbraw/zinc/70/29/14/1055702914.db2.gz KVYNQQZXTCEDKZ-UHFFFAOYSA-N 1 1 312.388 4.237 20 30 DIEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ncc2Cl)C1 ZINC001238625920 1055703413 /nfs/dbraw/zinc/70/34/13/1055703413.db2.gz MLIPNJPXHZUWLP-OAHLLOKOSA-N 1 1 310.828 4.247 20 30 DIEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238664294 1055711159 /nfs/dbraw/zinc/71/11/59/1055711159.db2.gz IXUUCIKIZHOGCQ-KRWDZBQOSA-N 1 1 300.446 4.216 20 30 DIEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238664295 1055711755 /nfs/dbraw/zinc/71/17/55/1055711755.db2.gz IXUUCIKIZHOGCQ-QGZVFWFLSA-N 1 1 300.446 4.216 20 30 DIEDMO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)cnc2F)CC1 ZINC001238664172 1055713147 /nfs/dbraw/zinc/71/31/47/1055713147.db2.gz PMQZWOLJHBUUIY-UHFFFAOYSA-N 1 1 309.388 4.013 20 30 DIEDMO CCc1cc(C[N@H+](C)Cc2nc3ccccc3s2)ccc1C#N ZINC001238760787 1055742690 /nfs/dbraw/zinc/74/26/90/1055742690.db2.gz QAUCLYGPZDLBSD-UHFFFAOYSA-N 1 1 321.449 4.362 20 30 DIEDMO CCc1cc(C[N@@H+](C)Cc2nc3ccccc3s2)ccc1C#N ZINC001238760787 1055742704 /nfs/dbraw/zinc/74/27/04/1055742704.db2.gz QAUCLYGPZDLBSD-UHFFFAOYSA-N 1 1 321.449 4.362 20 30 DIEDMO CCc1cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)ccc1C#N ZINC001238767105 1055744369 /nfs/dbraw/zinc/74/43/69/1055744369.db2.gz RZWGHYRAMKWGJN-LJQANCHMSA-N 1 1 320.436 4.119 20 30 DIEDMO CCc1cc(C[N@H+](CC(=O)c2ccccc2)C(C)C)ccc1C#N ZINC001238768085 1055744884 /nfs/dbraw/zinc/74/48/84/1055744884.db2.gz FMXPSVIEQNITNI-UHFFFAOYSA-N 1 1 320.436 4.214 20 30 DIEDMO CCc1cc(C[N@@H+](CC(=O)c2ccccc2)C(C)C)ccc1C#N ZINC001238768085 1055744893 /nfs/dbraw/zinc/74/48/93/1055744893.db2.gz FMXPSVIEQNITNI-UHFFFAOYSA-N 1 1 320.436 4.214 20 30 DIEDMO CCc1cc(C[N@H+]2CC[C@@H](c3cccc(OC)c3)C2)ccc1C#N ZINC001238770253 1055745329 /nfs/dbraw/zinc/74/53/29/1055745329.db2.gz ZRSPACYXROBRTL-HXUWFJFHSA-N 1 1 320.436 4.119 20 30 DIEDMO CCc1cc(C[N@H+]2CCC[C@H]2c2cccc(OC)c2)ccc1C#N ZINC001238777672 1055747575 /nfs/dbraw/zinc/74/75/75/1055747575.db2.gz 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CCCCCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001540762863 1056071997 /nfs/dbraw/zinc/07/19/97/1056071997.db2.gz LVLYIRGOQGTXOS-SFHVURJKSA-N 1 1 314.489 4.066 20 30 DIEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000186267422 1056081198 /nfs/dbraw/zinc/08/11/98/1056081198.db2.gz LQNQXNWKAYBNGK-MRXNPFEDSA-N 1 1 323.440 4.272 20 30 DIEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001542244342 1056112101 /nfs/dbraw/zinc/11/21/01/1056112101.db2.gz HMWJECYAKDLMCT-SFHVURJKSA-N 1 1 308.510 4.212 20 30 DIEDMO CCCCCCCCCN(C)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001542244341 1056112381 /nfs/dbraw/zinc/11/23/81/1056112381.db2.gz HMWJECYAKDLMCT-GOSISDBHSA-N 1 1 308.510 4.212 20 30 DIEDMO N#CC1(C[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000903106612 1056188574 /nfs/dbraw/zinc/18/85/74/1056188574.db2.gz SOYVRLQOHPIKOL-LBPRGKRZSA-N 1 1 311.212 4.100 20 30 DIEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000618551434 1056264954 /nfs/dbraw/zinc/26/49/54/1056264954.db2.gz 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C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C#N)c(F)c2)nc1 ZINC001240145306 1056352033 /nfs/dbraw/zinc/35/20/33/1056352033.db2.gz CEHUIUFTYQAQFW-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO N#CC1(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC001614547918 1056440088 /nfs/dbraw/zinc/44/00/88/1056440088.db2.gz KXCYAUWHGSNQSE-GOSISDBHSA-N 1 1 314.498 4.468 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(CC(F)(F)F)c1)Cc1ccccc1 ZINC000475283316 1056447452 /nfs/dbraw/zinc/44/74/52/1056447452.db2.gz XWBUZJCLNJZVKC-UHFFFAOYSA-N 1 1 323.362 4.024 20 30 DIEDMO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000060477521 1056464409 /nfs/dbraw/zinc/46/44/09/1056464409.db2.gz CDJVHTOZEBOQHH-AWEZNQCLSA-N 1 1 309.369 4.050 20 30 DIEDMO N#CCOc1cc(F)ccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388034 1056471569 /nfs/dbraw/zinc/47/15/69/1056471569.db2.gz ZFHUMMZHIDUCOX-UHFFFAOYSA-N 1 1 322.383 4.017 20 30 DIEDMO N#CCc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001240388337 1056471622 /nfs/dbraw/zinc/47/16/22/1056471622.db2.gz 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CCC[N@@H+](CCc1cccc(F)c1)Cc1ccc(CC#N)cc1 ZINC001615481827 1056521659 /nfs/dbraw/zinc/52/16/59/1056521659.db2.gz YMBGUIAPCFEFKC-UHFFFAOYSA-N 1 1 310.416 4.346 20 30 DIEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCc2ccccc2NC1=O ZINC001615506368 1056522307 /nfs/dbraw/zinc/52/23/07/1056522307.db2.gz ZISISYLCCVGZBT-IBGZPJMESA-N 1 1 312.457 4.008 20 30 DIEDMO CC[C@H](C#N)c1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240478057 1056528259 /nfs/dbraw/zinc/52/82/59/1056528259.db2.gz TUBRABJTUYNZOQ-GOSISDBHSA-N 1 1 320.436 4.203 20 30 DIEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1C[C@H](OCC)C1(C)C ZINC001615578453 1056540663 /nfs/dbraw/zinc/54/06/63/1056540663.db2.gz SXPTZUSNWOFGHI-HOTGVXAUSA-N 1 1 306.475 4.035 20 30 DIEDMO C=CCCCCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC001615600403 1056543866 /nfs/dbraw/zinc/54/38/66/1056543866.db2.gz IZSGNCUPTZNHCR-UHFFFAOYSA-N 1 1 319.399 4.329 20 30 DIEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC001615660309 1056556423 /nfs/dbraw/zinc/55/64/23/1056556423.db2.gz 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4.157 20 30 DIEDMO N#Cc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cs1 ZINC000921946655 1056664378 /nfs/dbraw/zinc/66/43/78/1056664378.db2.gz QGFWUWWFVGFKNG-UHFFFAOYSA-N 1 1 304.365 4.067 20 30 DIEDMO C=C(C)c1ccc(-c2ccc(C3([NH+]4CCOCC4)CC3)cc2)nc1 ZINC001240853519 1056729690 /nfs/dbraw/zinc/72/96/90/1056729690.db2.gz SKGYRXCKOLWROF-UHFFFAOYSA-N 1 1 320.436 4.103 20 30 DIEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC001616898684 1056734828 /nfs/dbraw/zinc/73/48/28/1056734828.db2.gz GOJWLPYZNTXMLE-DYESRHJHSA-N 1 1 324.468 4.243 20 30 DIEDMO CCC1(CC)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC001617231032 1056798231 /nfs/dbraw/zinc/79/82/31/1056798231.db2.gz DPNNAPXMPVNUMO-UHFFFAOYSA-N 1 1 315.417 4.259 20 30 DIEDMO C=CC[C@@H]1[N@H+](CCC(=O)OCc2ccccc2)CCCC1(C)C ZINC001617604131 1056855833 /nfs/dbraw/zinc/85/58/33/1056855833.db2.gz ONEUGNLTZNUJSB-SFHVURJKSA-N 1 1 315.457 4.187 20 30 DIEDMO C=CC[C@H]1[N@@H+](CCCN(C)C(=O)OC(C)(C)C)CCCC1(C)C ZINC001617603620 1056855841 /nfs/dbraw/zinc/85/58/41/1056855841.db2.gz AJRJGPNETRUCME-MRXNPFEDSA-N 1 1 324.509 4.310 20 30 DIEDMO C=CC[C@@H]1[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001617603821 1056856034 /nfs/dbraw/zinc/85/60/34/1056856034.db2.gz HFJBJAAXZATFTI-KRWDZBQOSA-N 1 1 318.417 4.040 20 30 DIEDMO C=CC[C@H]1[N@H+](Cc2ncccc2Br)CCCC1(C)C ZINC001617603725 1056856076 /nfs/dbraw/zinc/85/60/76/1056856076.db2.gz DJPKPYUFDXWDMT-OAHLLOKOSA-N 1 1 323.278 4.411 20 30 DIEDMO C=CC[C@H]1[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCC1(C)C ZINC001617603822 1056857011 /nfs/dbraw/zinc/85/70/11/1056857011.db2.gz HFJBJAAXZATFTI-QGZVFWFLSA-N 1 1 318.417 4.040 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC001617610676 1056857930 /nfs/dbraw/zinc/85/79/30/1056857930.db2.gz LCXQUZIXNRGHKC-LPHOPBHVSA-N 1 1 320.436 4.253 20 30 DIEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001617668368 1056866397 /nfs/dbraw/zinc/86/63/97/1056866397.db2.gz VDPDXVGRIRSBSJ-LJQANCHMSA-N 1 1 315.457 4.331 20 30 DIEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCC(C)(C)O1 ZINC001617869224 1056894682 /nfs/dbraw/zinc/89/46/82/1056894682.db2.gz ZLOCZAJZRSNIOS-GOSISDBHSA-N 1 1 319.493 4.190 20 30 DIEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001618028885 1056914966 /nfs/dbraw/zinc/91/49/66/1056914966.db2.gz WMSYIVDDSXWPAL-SFHVURJKSA-N 1 1 314.429 4.358 20 30 DIEDMO C=C(CC)C[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC001618083945 1056921384 /nfs/dbraw/zinc/92/13/84/1056921384.db2.gz IIRUQHZUFGJJMG-OAHLLOKOSA-N 1 1 308.263 4.280 20 30 DIEDMO CC[N@@H+](Cc1ncc(C)c(OC)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000067227297 1056928689 /nfs/dbraw/zinc/92/86/89/1056928689.db2.gz QBCYFAURDOGFIZ-INIZCTEOSA-N 1 1 323.440 4.162 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cc(CO)ccc2F)cc1 ZINC001241154918 1056930176 /nfs/dbraw/zinc/93/01/76/1056930176.db2.gz OFCIGCIVOLKMSL-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC001618189843 1056931173 /nfs/dbraw/zinc/93/11/73/1056931173.db2.gz CJVSQALXGHGOSF-UHFFFAOYSA-N 1 1 315.417 4.401 20 30 DIEDMO C=C(Br)C[NH2+]C(C)(c1ccccc1)c1ccccc1 ZINC001168713274 1056975503 /nfs/dbraw/zinc/97/55/03/1056975503.db2.gz WXTUYLCKTCWHSD-UHFFFAOYSA-N 1 1 316.242 4.448 20 30 DIEDMO CC1(C)C[C@H]([NH2+]Cc2csc(C#N)c2)c2cc(F)ccc2O1 ZINC000922217383 1056980196 /nfs/dbraw/zinc/98/01/96/1056980196.db2.gz LDISTWZRESLTNS-HNNXBMFYSA-N 1 1 316.401 4.151 20 30 DIEDMO Cc1ccc(C[N@H+](C)Cc2ccc(N(C)CCC#N)cc2)s1 ZINC000093049387 1057033375 /nfs/dbraw/zinc/03/33/75/1057033375.db2.gz JWELQWKJRZEGRW-UHFFFAOYSA-N 1 1 313.470 4.038 20 30 DIEDMO CCCCc1oc2ccccc2c1C[N@@H+](C)CCOCCC#N ZINC000338882026 1057065430 /nfs/dbraw/zinc/06/54/30/1057065430.db2.gz GAHJDTZHYXRNAM-UHFFFAOYSA-N 1 1 314.429 4.137 20 30 DIEDMO CO/N=C/c1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccc1F ZINC001241506775 1057076800 /nfs/dbraw/zinc/07/68/00/1057076800.db2.gz FIHXJWHMTIPEAU-HYARGMPZSA-N 1 1 324.399 4.095 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cc(OC)ncc2F)cc1 ZINC001241665791 1057128002 /nfs/dbraw/zinc/12/80/02/1057128002.db2.gz MQMFEVCQCFAUNN-GOSISDBHSA-N 1 1 312.388 4.219 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)cc2C)cc1 ZINC001241776499 1057162273 /nfs/dbraw/zinc/16/22/73/1057162273.db2.gz SFPIFWHPXADSEF-IBGZPJMESA-N 1 1 308.425 4.389 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC001307589427 1057175826 /nfs/dbraw/zinc/17/58/26/1057175826.db2.gz VKWBVVTXHOQHMB-NEPJUHHUSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC001307589427 1057175829 /nfs/dbraw/zinc/17/58/29/1057175829.db2.gz VKWBVVTXHOQHMB-NEPJUHHUSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC001307589448 1057177380 /nfs/dbraw/zinc/17/73/80/1057177380.db2.gz VKWBVVTXHOQHMB-RYUDHWBXSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC001307589448 1057177382 /nfs/dbraw/zinc/17/73/82/1057177382.db2.gz VKWBVVTXHOQHMB-RYUDHWBXSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1Cc1ccc(C#N)s1 ZINC001307589455 1057177641 /nfs/dbraw/zinc/17/76/41/1057177641.db2.gz VKWBVVTXHOQHMB-VXGBXAGGSA-N 1 1 300.402 4.267 20 30 DIEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1Cc1ccc(C#N)s1 ZINC001307589455 1057177644 /nfs/dbraw/zinc/17/76/44/1057177644.db2.gz VKWBVVTXHOQHMB-VXGBXAGGSA-N 1 1 300.402 4.267 20 30 DIEDMO C=CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C1 ZINC000625701121 1057192977 /nfs/dbraw/zinc/19/29/77/1057192977.db2.gz OQIWFNMKAWXJPB-LBPRGKRZSA-N 1 1 304.340 4.018 20 30 DIEDMO C#Cc1cccc(-c2ncc(C3=CC[N@@H+](CC)CC3)cc2C)c1 ZINC001241917743 1057210986 /nfs/dbraw/zinc/21/09/86/1057210986.db2.gz XJUACBFUVFPEIM-UHFFFAOYSA-N 1 1 302.421 4.147 20 30 DIEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000172073601 1057246534 /nfs/dbraw/zinc/24/65/34/1057246534.db2.gz NCGNLZKXCDFRRR-UHFFFAOYSA-N 1 1 301.393 4.047 20 30 DIEDMO Cc1cc(N)[nH+]cc1-c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC001242090734 1057260973 /nfs/dbraw/zinc/26/09/73/1057260973.db2.gz SDBYYUQTBASNBK-UHFFFAOYSA-N 1 1 324.199 4.214 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Oc3ccccc3)c2)o1 ZINC000174269236 1057355109 /nfs/dbraw/zinc/35/51/09/1057355109.db2.gz KGKQEXJXXVBZAO-UHFFFAOYSA-N 1 1 304.349 4.233 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)c(Cl)c1 ZINC000174265299 1057355342 /nfs/dbraw/zinc/35/53/42/1057355342.db2.gz UFACHRFVALYISE-SNVBAGLBSA-N 1 1 306.743 4.341 20 30 DIEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2)o1 ZINC000174273257 1057356202 /nfs/dbraw/zinc/35/62/02/1057356202.db2.gz XMGQHENKSCLUIG-UHFFFAOYSA-N 1 1 318.376 4.020 20 30 DIEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)cc1 ZINC000246425966 1057370901 /nfs/dbraw/zinc/37/09/01/1057370901.db2.gz SGHOWRDPHDWRJH-HNAYVOBHSA-N 1 1 306.409 4.117 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncc(N(C)C)c2)cc1 ZINC001242529560 1057394300 /nfs/dbraw/zinc/39/43/00/1057394300.db2.gz VWIMSMHXTQOGRL-FQEVSTJZSA-N 1 1 307.441 4.138 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(CO)c(F)c2)cc1 ZINC001242533160 1057395506 /nfs/dbraw/zinc/39/55/06/1057395506.db2.gz AYEROKQCBKEXGW-FQEVSTJZSA-N 1 1 311.400 4.308 20 30 DIEDMO CC[N@@H+]1CC=C(c2cnc(-c3ccccc3C#N)c(C)c2)CC1 ZINC001242715447 1057456816 /nfs/dbraw/zinc/45/68/16/1057456816.db2.gz WHHASLDUPHEPCF-UHFFFAOYSA-N 1 1 303.409 4.038 20 30 DIEDMO C[C@@H]1CC(=O)C=C(c2ccc(C[NH+]3CCCCC3)c(F)c2)C1 ZINC001242742753 1057465257 /nfs/dbraw/zinc/46/52/57/1057465257.db2.gz WYJPMAONKSEOIC-AWEZNQCLSA-N 1 1 301.405 4.194 20 30 DIEDMO C[C@H]1CC(=O)C=C(c2ccc(C[NH+]3CCCCC3)c(F)c2)C1 ZINC001242742754 1057465367 /nfs/dbraw/zinc/46/53/67/1057465367.db2.gz WYJPMAONKSEOIC-CQSZACIVSA-N 1 1 301.405 4.194 20 30 DIEDMO Cc1cc(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cn2)ccc1C#N ZINC001242766991 1057468481 /nfs/dbraw/zinc/46/84/81/1057468481.db2.gz ZHMMKHUIGFJIGB-INIZCTEOSA-N 1 1 305.425 4.303 20 30 DIEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 ZINC000676639094 1057490692 /nfs/dbraw/zinc/49/06/92/1057490692.db2.gz FWZVTPVWCFIYFZ-CTNGQTDRSA-N 1 1 312.501 4.233 20 30 DIEDMO CC#Cc1cncc(-c2ccc([C@@H]3CCCC[N@@H+]3CCC)cn2)c1 ZINC001242940482 1057524542 /nfs/dbraw/zinc/52/45/42/1057524542.db2.gz JIWUQGBCVGEUJR-NRFANRHFSA-N 1 1 319.452 4.452 20 30 DIEDMO Cc1[nH+]c(NCc2ccc(C#N)s2)ccc1-c1ccccc1 ZINC000565273998 1057547199 /nfs/dbraw/zinc/54/71/99/1057547199.db2.gz ARLCMWXMDHCHGE-UHFFFAOYSA-N 1 1 305.406 4.602 20 30 DIEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOc2ccccc21 ZINC000611265044 1057586993 /nfs/dbraw/zinc/58/69/93/1057586993.db2.gz QNAVTJBXUXXCBT-IBGZPJMESA-N 1 1 318.420 4.113 20 30 DIEDMO CC[N@@H+](Cc1nn(C)c2ccccc12)[C@H](C)c1ccc(C#N)cc1 ZINC000611256422 1057587198 /nfs/dbraw/zinc/58/71/98/1057587198.db2.gz LLCPYLXWGZSPPU-OAHLLOKOSA-N 1 1 318.424 4.028 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1 ZINC000611259287 1057587335 /nfs/dbraw/zinc/58/73/35/1057587335.db2.gz USPFKCLZUVZBSK-OAHLLOKOSA-N 1 1 305.381 4.012 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611371686 1057593319 /nfs/dbraw/zinc/59/33/19/1057593319.db2.gz UVEZYYCUNNRVJL-SFHVURJKSA-N 1 1 324.399 4.433 20 30 DIEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611371686 1057593325 /nfs/dbraw/zinc/59/33/25/1057593325.db2.gz UVEZYYCUNNRVJL-SFHVURJKSA-N 1 1 324.399 4.433 20 30 DIEDMO CC(C)CCc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000611389291 1057594098 /nfs/dbraw/zinc/59/40/98/1057594098.db2.gz ZHGPOGCWEDVFOA-AWEZNQCLSA-N 1 1 313.470 4.454 20 30 DIEDMO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc(C#N)c1 ZINC000611388554 1057594413 /nfs/dbraw/zinc/59/44/13/1057594413.db2.gz JJTMEJOBGSZCCE-GFCCVEGCSA-N 1 1 309.394 4.126 20 30 DIEDMO Cc1ccc(-c2cc(C[NH2+][C@H](C)c3cccc(C#N)c3)on2)cc1 ZINC000611387379 1057594656 /nfs/dbraw/zinc/59/46/56/1057594656.db2.gz MJAKWCKBYFCIOP-OAHLLOKOSA-N 1 1 317.392 4.373 20 30 DIEDMO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386510 1057594705 /nfs/dbraw/zinc/59/47/05/1057594705.db2.gz LRCMMUCQCBNHSI-LBPRGKRZSA-N 1 1 323.421 4.434 20 30 DIEDMO C[C@@H]([NH2+]Cc1cc(-c2ccc(F)cc2)no1)c1cccc(C#N)c1 ZINC000611387701 1057594750 /nfs/dbraw/zinc/59/47/50/1057594750.db2.gz FIDKHUMWCGWFNZ-CYBMUJFWSA-N 1 1 321.355 4.203 20 30 DIEDMO C[C@H]([NH2+][C@H]1COc2c1cccc2Cl)c1ccc(C#N)c(F)c1 ZINC000611465953 1057601547 /nfs/dbraw/zinc/60/15/47/1057601547.db2.gz WQERPSCTWQBLLX-QFYYESIMSA-N 1 1 316.763 4.135 20 30 DIEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000727166154 1057640867 /nfs/dbraw/zinc/64/08/67/1057640867.db2.gz WVYAANYCLYMWBY-UHFFFAOYSA-N 1 1 315.457 4.140 20 30 DIEDMO C[C@H](C[N@@H+](C)CCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000727437202 1057653104 /nfs/dbraw/zinc/65/31/04/1057653104.db2.gz GRIGXGNZFSJBSU-QGZVFWFLSA-N 1 1 308.425 4.063 20 30 DIEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N=Cc3cccc(O)c3O)c2C1 ZINC000727685479 1057664001 /nfs/dbraw/zinc/66/40/01/1057664001.db2.gz ORWMPZUKZGBERL-CQSZACIVSA-N 1 1 324.424 4.209 20 30 DIEDMO CC[N@H+]1CCc2cc(-c3ccc(C4(C#N)CC4)cc3)ccc2C1 ZINC001243421233 1057678426 /nfs/dbraw/zinc/67/84/26/1057678426.db2.gz VWUUBNDBIHHGJP-UHFFFAOYSA-N 1 1 302.421 4.287 20 30 DIEDMO C[N@@H+](Cc1cscc1Br)CC(C)(C)CCC#N ZINC001119451044 1057695160 /nfs/dbraw/zinc/69/51/60/1057695160.db2.gz UKQRVQHCLISCSF-UHFFFAOYSA-N 1 1 315.280 4.272 20 30 DIEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(OCC#N)cc2)nc1 ZINC001243588585 1057725350 /nfs/dbraw/zinc/72/53/50/1057725350.db2.gz KCHWGLWIYMNTMQ-MRXNPFEDSA-N 1 1 321.424 4.025 20 30 DIEDMO C[C@@H](c1ccccc1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000731211990 1057737568 /nfs/dbraw/zinc/73/75/68/1057737568.db2.gz MNTFNDBSSCEHGY-INIZCTEOSA-N 1 1 306.409 4.315 20 30 DIEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000731211350 1057737963 /nfs/dbraw/zinc/73/79/63/1057737963.db2.gz HNECOZTYEYKMPI-KRWDZBQOSA-N 1 1 320.436 4.390 20 30 DIEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000731211637 1057738095 /nfs/dbraw/zinc/73/80/95/1057738095.db2.gz RTKAFGDOMAFWIR-HNNXBMFYSA-N 1 1 312.388 4.311 20 30 DIEDMO C=CCn1c2ccccc2n(C[N@H+](CC)CC2CC2)c1=S ZINC000732663501 1057782527 /nfs/dbraw/zinc/78/25/27/1057782527.db2.gz VKSRUNPWZVELOG-UHFFFAOYSA-N 1 1 301.459 4.048 20 30 DIEDMO C=CCn1c2ccccc2n(C[N@@H+](CC)CC2CC2)c1=S ZINC000732663501 1057782529 /nfs/dbraw/zinc/78/25/29/1057782529.db2.gz VKSRUNPWZVELOG-UHFFFAOYSA-N 1 1 301.459 4.048 20 30 DIEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(N)c(C#N)c2)cc1 ZINC001244116877 1057874123 /nfs/dbraw/zinc/87/41/23/1057874123.db2.gz UPWQLNRDYGDISJ-FQEVSTJZSA-N 1 1 303.409 4.130 20 30 DIEDMO N#Cc1cnccc1-c1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC001244333501 1057935796 /nfs/dbraw/zinc/93/57/96/1057935796.db2.gz HNHVYUMCEXKESG-UHFFFAOYSA-N 1 1 311.388 4.136 20 30 DIEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(Cl)c2C#N)nc1 ZINC001244725421 1058035686 /nfs/dbraw/zinc/03/56/86/1058035686.db2.gz UULQGVBSNVMUHX-GOSISDBHSA-N 1 1 311.816 4.430 20 30 DIEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(CO)cc2F)cc1 ZINC001244915001 1058070679 /nfs/dbraw/zinc/07/06/79/1058070679.db2.gz MNTQYKGVRJQWAG-HXUWFJFHSA-N 1 1 311.400 4.308 20 30 DIEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccc(C#N)c2F)nc1 ZINC001245069326 1058106390 /nfs/dbraw/zinc/10/63/90/1058106390.db2.gz QAEGJARCSFPWJG-AWEZNQCLSA-N 1 1 309.388 4.134 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001528766866 1058513551 /nfs/dbraw/zinc/51/35/51/1058513551.db2.gz YDHHCSRCCQOWQU-MSOLQXFVSA-N 1 1 310.526 4.314 20 30 DIEDMO C#CCC1(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CCCCC1 ZINC001556070881 1058538245 /nfs/dbraw/zinc/53/82/45/1058538245.db2.gz RYVALKZIUNWMHA-UHFFFAOYSA-N 1 1 322.452 4.077 20 30 DIEDMO CCCCCCCC[C@H](C)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001556564368 1058612894 /nfs/dbraw/zinc/61/28/94/1058612894.db2.gz MDERIRZTXWGXQF-ZWKOTPCHSA-N 1 1 310.526 4.316 20 30 DIEDMO CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC001246086544 1058670657 /nfs/dbraw/zinc/67/06/57/1058670657.db2.gz DGIQLAMARPVYQV-HOTGVXAUSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1CNCCC1(F)F ZINC001246090011 1058673846 /nfs/dbraw/zinc/67/38/46/1058673846.db2.gz UZHRFTVSJXKJDV-HZPDHXFCSA-N 1 1 304.469 4.350 20 30 DIEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC001557510303 1058761057 /nfs/dbraw/zinc/76/10/57/1058761057.db2.gz RYDBVOPGLDNIFV-QZTJIDSGSA-N 1 1 310.526 4.221 20 30 DIEDMO CCCCCCCC[NH2+][C@H]1CCN[C@H](Cc2ccccc2)C1 ZINC001246250679 1058769296 /nfs/dbraw/zinc/76/92/96/1058769296.db2.gz XOHNWLBBLHKGQG-VQTJNVASSA-N 1 1 302.506 4.300 20 30 DIEDMO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCCCC2)C1)c1cccc(C#N)c1 ZINC001246318385 1058828594 /nfs/dbraw/zinc/82/85/94/1058828594.db2.gz SPSPBDMUYKDHQS-RTBURBONSA-N 1 1 311.473 4.054 20 30 DIEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC001558713132 1058902604 /nfs/dbraw/zinc/90/26/04/1058902604.db2.gz CCVBPMAJCWWJDI-HXUWFJFHSA-N 1 1 320.436 4.323 20 30 DIEDMO CCc1nc(C#N)cc(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC001559055249 1058954713 /nfs/dbraw/zinc/95/47/13/1058954713.db2.gz GFBLPFBLNDIXHE-UHFFFAOYSA-N 1 1 321.428 4.035 20 30 DIEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246638288 1059045892 /nfs/dbraw/zinc/04/58/92/1059045892.db2.gz LKBALMSYAVDMBX-DLBZAZTESA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001246638288 1059045912 /nfs/dbraw/zinc/04/59/12/1059045912.db2.gz LKBALMSYAVDMBX-DLBZAZTESA-N 1 1 316.480 4.446 20 30 DIEDMO CCCCCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001530474017 1059054149 /nfs/dbraw/zinc/05/41/49/1059054149.db2.gz ZKCCRNMYWXYNOD-FQEVSTJZSA-N 1 1 316.489 4.128 20 30 DIEDMO CCCCCCCCCCCC[N@@H+](C)[C@@H]1CCN[C@H](C#N)C1 ZINC001246861194 1059137059 /nfs/dbraw/zinc/13/70/59/1059137059.db2.gz SWJJGKVWASCMAW-RBUKOAKNSA-N 1 1 307.526 4.483 20 30 DIEDMO CCCCCCC[C@H](CC)N1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933474 1059180763 /nfs/dbraw/zinc/18/07/63/1059180763.db2.gz IVXKQHSAYUXHME-RRFJBIMHSA-N 1 1 308.432 4.337 20 30 DIEDMO CCCCCCC[C@H](CC)N1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246933478 1059184792 /nfs/dbraw/zinc/18/47/92/1059184792.db2.gz IVXKQHSAYUXHME-ZNMIVQPWSA-N 1 1 308.432 4.337 20 30 DIEDMO N#Cc1ccc(CS[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001559429083 1059226295 /nfs/dbraw/zinc/22/62/95/1059226295.db2.gz GOLQBFACLJYPIO-HXUWFJFHSA-N 1 1 322.477 4.456 20 30 DIEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001559492986 1059269683 /nfs/dbraw/zinc/26/96/83/1059269683.db2.gz LTXFWGPPWYOBHX-UHFFFAOYSA-N 1 1 320.223 4.282 20 30 DIEDMO CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001559492986 1059269707 /nfs/dbraw/zinc/26/97/07/1059269707.db2.gz LTXFWGPPWYOBHX-UHFFFAOYSA-N 1 1 320.223 4.282 20 30 DIEDMO CC[N@@H+](C[C@H]1CCC2(CCC2)CO1)[C@H](C)c1ccc(C#N)cc1 ZINC001559494290 1059276000 /nfs/dbraw/zinc/27/60/00/1059276000.db2.gz BCZQTHUCTSACPV-VQIMIIECSA-N 1 1 312.457 4.290 20 30 DIEDMO C=CCCCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC001559500415 1059283536 /nfs/dbraw/zinc/28/35/36/1059283536.db2.gz ZKQHCTGRFRQYPN-IBGZPJMESA-N 1 1 303.446 4.033 20 30 DIEDMO C#CC[N@@H+](Cc1cnc2ccccc2c1)[C@H]1CCc2ccccc21 ZINC001559499258 1059284015 /nfs/dbraw/zinc/28/40/15/1059284015.db2.gz MWKUVPWIQYPYAB-QFIPXVFZSA-N 1 1 312.416 4.358 20 30 DIEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)C1CCCCC1 ZINC001559523300 1059322210 /nfs/dbraw/zinc/32/22/10/1059322210.db2.gz NPNXYSBGOKZTTA-KRWDZBQOSA-N 1 1 314.473 4.223 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1C#N ZINC001559527690 1059325550 /nfs/dbraw/zinc/32/55/50/1059325550.db2.gz KILXACUKAJXLGL-LJQANCHMSA-N 1 1 304.437 4.321 20 30 DIEDMO CC[C@H](C)[C@H](C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC001559530977 1059330772 /nfs/dbraw/zinc/33/07/72/1059330772.db2.gz IQQHVRXIMFDBPF-HOTGVXAUSA-N 1 1 300.446 4.226 20 30 DIEDMO C=CCCCCC[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001559553485 1059362838 /nfs/dbraw/zinc/36/28/38/1059362838.db2.gz DXMSMRSUTLJCAX-UHFFFAOYSA-N 1 1 320.521 4.234 20 30 DIEDMO CC(C)COc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC001559554246 1059370677 /nfs/dbraw/zinc/37/06/77/1059370677.db2.gz XXINYPSYDSZALP-UHFFFAOYSA-N 1 1 302.462 4.483 20 30 DIEDMO CC(C)COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC001559554246 1059370698 /nfs/dbraw/zinc/37/06/98/1059370698.db2.gz XXINYPSYDSZALP-UHFFFAOYSA-N 1 1 302.462 4.483 20 30 DIEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC001559570706 1059401966 /nfs/dbraw/zinc/40/19/66/1059401966.db2.gz ZVDAUXJTEHAFBJ-KDOFPFPSSA-N 1 1 324.424 4.442 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574449 1059406405 /nfs/dbraw/zinc/40/64/05/1059406405.db2.gz ZQOFRWVJPLRMFN-UGSOOPFHSA-N 1 1 312.363 4.420 20 30 DIEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001559574449 1059406399 /nfs/dbraw/zinc/40/63/99/1059406399.db2.gz ZQOFRWVJPLRMFN-UGSOOPFHSA-N 1 1 312.363 4.420 20 30 DIEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001559612543 1059442985 /nfs/dbraw/zinc/44/29/85/1059442985.db2.gz VZEDGKVPSJFBQJ-IRXDYDNUSA-N 1 1 306.494 4.376 20 30 DIEDMO C=CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559626466 1059454938 /nfs/dbraw/zinc/45/49/38/1059454938.db2.gz UGHJVMYKCHZTIG-IAGOWNOFSA-N 1 1 324.509 4.358 20 30 DIEDMO CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001559650508 1059479323 /nfs/dbraw/zinc/47/93/23/1059479323.db2.gz GYGOEXUTZMTSKN-INIZCTEOSA-N 1 1 301.390 4.011 20 30 DIEDMO C#CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1CC1 ZINC001559658684 1059490869 /nfs/dbraw/zinc/49/08/69/1059490869.db2.gz OKEGWMICERJWLM-UHFFFAOYSA-N 1 1 300.405 4.070 20 30 DIEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)o1 ZINC001559662095 1059493309 /nfs/dbraw/zinc/49/33/09/1059493309.db2.gz PFIDZLQXSWBICB-SFHVURJKSA-N 1 1 308.425 4.386 20 30 DIEDMO CCCCCCCc1ccc(-c2noc(C(C)(C)[NH3+])n2)cc1 ZINC001247492608 1059500414 /nfs/dbraw/zinc/50/04/14/1059500414.db2.gz ZADXUBNPNPMSSJ-UHFFFAOYSA-N 1 1 301.434 4.443 20 30 DIEDMO CCCCCCCCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001559690606 1059519345 /nfs/dbraw/zinc/51/93/45/1059519345.db2.gz QHMYAGDXYJODLX-IBGZPJMESA-N 1 1 307.453 4.470 20 30 DIEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)c(Cl)cc1Cl ZINC001559707183 1059537074 /nfs/dbraw/zinc/53/70/74/1059537074.db2.gz KMESFHBWJWZBQL-VIFPVBQESA-N 1 1 324.186 4.250 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccncc2C#N)cc1 ZINC001559718796 1059547126 /nfs/dbraw/zinc/54/71/26/1059547126.db2.gz MSBPVPTXWBWWRT-FQEVSTJZSA-N 1 1 305.425 4.414 20 30 DIEDMO CC(C)c1ccc([C@@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC001559718796 1059547147 /nfs/dbraw/zinc/54/71/47/1059547147.db2.gz MSBPVPTXWBWWRT-FQEVSTJZSA-N 1 1 305.425 4.414 20 30 DIEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCc1ccc(C#N)cc1)[C@@H]2C ZINC001559739326 1059571072 /nfs/dbraw/zinc/57/10/72/1059571072.db2.gz OAIPLZVEOVWJEN-HZPDHXFCSA-N 1 1 320.436 4.117 20 30 DIEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001247622569 1059572329 /nfs/dbraw/zinc/57/23/29/1059572329.db2.gz NPYUQMUHSWXIHK-LBPRGKRZSA-N 1 1 311.307 4.030 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001247639259 1059581217 /nfs/dbraw/zinc/58/12/17/1059581217.db2.gz IVONGZACVIGYGY-ZDUSSCGKSA-N 1 1 321.371 4.460 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2F)no1 ZINC001247637670 1059582484 /nfs/dbraw/zinc/58/24/84/1059582484.db2.gz ALKLQTVZAKWGRM-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(F)c2)no1 ZINC001247639785 1059582682 /nfs/dbraw/zinc/58/26/82/1059582682.db2.gz MQAZULJKSRQFRX-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2C)no1 ZINC001247637730 1059583116 /nfs/dbraw/zinc/58/31/16/1059583116.db2.gz CNTVUSDHKZZLGK-HNNXBMFYSA-N 1 1 303.381 4.320 20 30 DIEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001247639730 1059583769 /nfs/dbraw/zinc/58/37/69/1059583769.db2.gz MDRFTKDCFPUVNN-HNNXBMFYSA-N 1 1 321.371 4.460 20 30 DIEDMO CCCCCCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC001559781706 1059615352 /nfs/dbraw/zinc/61/53/52/1059615352.db2.gz OPRQTMDKWCXELR-KRWDZBQOSA-N 1 1 304.478 4.108 20 30 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CCC[N@H+](CCC#N)Cc1cc2c(c(OC)c1)NC(C)(C)C=C2 ZINC001250485768 1060840683 /nfs/dbraw/zinc/84/06/83/1060840683.db2.gz DIYIDDIAPLFJLM-UHFFFAOYSA-N 1 1 313.445 4.038 20 30 DIEDMO CCC[N@@H+](CCC#N)Cc1cc2c(c(OC)c1)NC(C)(C)C=C2 ZINC001250485768 1060840697 /nfs/dbraw/zinc/84/06/97/1060840697.db2.gz DIYIDDIAPLFJLM-UHFFFAOYSA-N 1 1 313.445 4.038 20 30 DIEDMO C#CC[N@@H+](C[C@@H](CCC(C)(C)C)NC(=O)OC(C)(C)C)C(C)C ZINC001561032587 1060886963 /nfs/dbraw/zinc/88/69/63/1060886963.db2.gz JKDIMDVBBSRAAD-MRXNPFEDSA-N 1 1 324.509 4.050 20 30 DIEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(C#N)ccc1Br ZINC001473204770 1060969628 /nfs/dbraw/zinc/96/96/28/1060969628.db2.gz ZJGWXOUSIQLMED-GFCCVEGCSA-N 1 1 309.251 4.189 20 30 DIEDMO N#Cc1cccc(CN[C@@]23CC[C@@]([NH2+]C4CCCC4)(C2)CCC3)c1 ZINC001278588432 1060993362 /nfs/dbraw/zinc/99/33/62/1060993362.db2.gz XTSZMGLAFYPBMZ-LEWJYISDSA-N 1 1 323.484 4.025 20 30 DIEDMO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001473253038 1061031297 /nfs/dbraw/zinc/03/12/97/1061031297.db2.gz AZTNAEQGAIHNBT-SFHVURJKSA-N 1 1 300.446 4.380 20 30 DIEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC001473259691 1061034476 /nfs/dbraw/zinc/03/44/76/1061034476.db2.gz LKGYICDZEGTEHV-HOTGVXAUSA-N 1 1 306.475 4.035 20 30 DIEDMO C#Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC001462223297 1061039850 /nfs/dbraw/zinc/03/98/50/1061039850.db2.gz YPVNEWZIUZPJKE-VSKRKVRLSA-N 1 1 301.433 4.436 20 30 DIEDMO C#CC[N@H+](Cc1c(OC(C)C)ccc2ccccc21)CC1CC1 ZINC001473286586 1061058046 /nfs/dbraw/zinc/05/80/46/1061058046.db2.gz FIBVYEZUHAECKS-UHFFFAOYSA-N 1 1 307.437 4.472 20 30 DIEDMO N#Cc1cncc(C[N@H+](Cc2ccccc2F)C2CCCCC2)c1 ZINC001473287543 1061059002 /nfs/dbraw/zinc/05/90/02/1061059002.db2.gz UVRHKDMNUFKIPE-UHFFFAOYSA-N 1 1 323.415 4.427 20 30 DIEDMO N#CCC1(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)CC1 ZINC001473290206 1061062461 /nfs/dbraw/zinc/06/24/61/1061062461.db2.gz XIFCADPLZGYWAR-HXUWFJFHSA-N 1 1 302.421 4.480 20 30 DIEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCc2ccc(C#N)cc2)c1 ZINC001473306725 1061071672 /nfs/dbraw/zinc/07/16/72/1061071672.db2.gz WVRDUPUGMFDNHV-IERDGZPVSA-N 1 1 320.436 4.192 20 30 DIEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCC23CCOCC3)C2CC2)cc1 ZINC001473305421 1061072588 /nfs/dbraw/zinc/07/25/88/1061072588.db2.gz YBUNLZZNMWRLES-IBGZPJMESA-N 1 1 324.468 4.120 20 30 DIEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1 ZINC001473341464 1061099691 /nfs/dbraw/zinc/09/96/91/1061099691.db2.gz BBLRRBQIPXTBJH-MRXNPFEDSA-N 1 1 322.452 4.186 20 30 DIEDMO CC1(C)CCC(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC001473348080 1061101456 /nfs/dbraw/zinc/10/14/56/1061101456.db2.gz NPZFPTQESMDTCF-IBGZPJMESA-N 1 1 312.457 4.148 20 30 DIEDMO CCCCCCCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001473444825 1061163362 /nfs/dbraw/zinc/16/33/62/1061163362.db2.gz OWSMNXVYKXTSNN-MRXNPFEDSA-N 1 1 308.441 4.424 20 30 DIEDMO C=C(C)CC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC001473498253 1061194294 /nfs/dbraw/zinc/19/42/94/1061194294.db2.gz MZWNJHLRUZDPMN-BBRMVZONSA-N 1 1 313.363 4.433 20 30 DIEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cc1 ZINC001473508586 1061199757 /nfs/dbraw/zinc/19/97/57/1061199757.db2.gz INBSTRDJCKSAGZ-NRFANRHFSA-N 1 1 304.437 4.305 20 30 DIEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC001473524664 1061220833 /nfs/dbraw/zinc/22/08/33/1061220833.db2.gz VFQGXVIWGOTFRS-GFCCVEGCSA-N 1 1 309.251 4.331 20 30 DIEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC001473564127 1061248556 /nfs/dbraw/zinc/24/85/56/1061248556.db2.gz JIIFUBZVSWEWFS-DLBZAZTESA-N 1 1 300.446 4.213 20 30 DIEDMO FC(F)(F)C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473564829 1061252827 /nfs/dbraw/zinc/25/28/27/1061252827.db2.gz NDNXHQSWMPONCH-AWEZNQCLSA-N 1 1 315.766 4.356 20 30 DIEDMO FC(F)(F)C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473564829 1061252844 /nfs/dbraw/zinc/25/28/44/1061252844.db2.gz NDNXHQSWMPONCH-AWEZNQCLSA-N 1 1 315.766 4.356 20 30 DIEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC001473575585 1061262294 /nfs/dbraw/zinc/26/22/94/1061262294.db2.gz BJYSGJYTMCKKLP-OAQYLSRUSA-N 1 1 322.427 4.337 20 30 DIEDMO Cc1ccc(C[N@@H+](CC#Cc2cccc(Cl)c2)CC2CC2)cn1 ZINC001473583104 1061271938 /nfs/dbraw/zinc/27/19/38/1061271938.db2.gz WRXVUDXEOXCFPY-UHFFFAOYSA-N 1 1 324.855 4.307 20 30 DIEDMO Cc1cc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)ccc1C#N ZINC001462576736 1061273885 /nfs/dbraw/zinc/27/38/85/1061273885.db2.gz FWJJBCGDIVKMDI-MRXNPFEDSA-N 1 1 312.363 4.134 20 30 DIEDMO C=CC(C)(C)CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC001462603097 1061291163 /nfs/dbraw/zinc/29/11/63/1061291163.db2.gz XAFRJAPFEHXZIM-MRXNPFEDSA-N 1 1 322.880 4.051 20 30 DIEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC001473627418 1061298060 /nfs/dbraw/zinc/29/80/60/1061298060.db2.gz JWDKSYBLJSRHCX-LLVKDONJSA-N 1 1 300.265 4.299 20 30 DIEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1 ZINC001462620158 1061302920 /nfs/dbraw/zinc/30/29/20/1061302920.db2.gz WJXOFIJMRCOZDW-GZMOKQHVSA-N 1 1 306.453 4.132 20 30 DIEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC001473628056 1061302758 /nfs/dbraw/zinc/30/27/58/1061302758.db2.gz ZALQPGWDGSGRHK-GJZGRUSLSA-N 1 1 320.864 4.264 20 30 DIEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC(C)(C)CC(C)(C)C1 ZINC001473628811 1061305019 /nfs/dbraw/zinc/30/50/19/1061305019.db2.gz HFFZQUQJJRHKFV-SFHVURJKSA-N 1 1 314.473 4.128 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001473635208 1061307409 /nfs/dbraw/zinc/30/74/09/1061307409.db2.gz HUQRQCYOCGARSI-INIZCTEOSA-N 1 1 304.437 4.455 20 30 DIEDMO C=CCCC[N@H+](CC)Cc1c(C)nc2scc(C3CC3)n12 ZINC001462631680 1061308303 /nfs/dbraw/zinc/30/83/03/1061308303.db2.gz AVLIZCHPMFUZBH-UHFFFAOYSA-N 1 1 303.475 4.370 20 30 DIEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001473657954 1061321226 /nfs/dbraw/zinc/32/12/26/1061321226.db2.gz CDQIZYKCMUJVKC-LJQANCHMSA-N 1 1 320.436 4.141 20 30 DIEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC001473671331 1061334316 /nfs/dbraw/zinc/33/43/16/1061334316.db2.gz XQIPHCTUWPZIEE-QGZVFWFLSA-N 1 1 312.363 4.216 20 30 DIEDMO C=CCCCCC[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001473676123 1061338249 /nfs/dbraw/zinc/33/82/49/1061338249.db2.gz KOVABPCZFVQMDA-APWZRJJASA-N 1 1 322.493 4.112 20 30 DIEDMO CCC#C[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC001473682006 1061342470 /nfs/dbraw/zinc/34/24/70/1061342470.db2.gz VTVSDWJFTIUPGV-VHSXEESVSA-N 1 1 304.743 4.206 20 30 DIEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC001473687647 1061347450 /nfs/dbraw/zinc/34/74/50/1061347450.db2.gz HTRMKUKUSMKFQU-HSWBROFVSA-N 1 1 320.383 4.338 20 30 DIEDMO C[C@H]1c2sccc2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC001473763392 1061398219 /nfs/dbraw/zinc/39/82/19/1061398219.db2.gz YXFGXCBLHUYPFB-AWEZNQCLSA-N 1 1 312.438 4.008 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)cc1C#N ZINC001473773059 1061401802 /nfs/dbraw/zinc/40/18/02/1061401802.db2.gz PFNHFAZHUFQUHS-QGZVFWFLSA-N 1 1 322.456 4.093 20 30 DIEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC001473773059 1061401814 /nfs/dbraw/zinc/40/18/14/1061401814.db2.gz PFNHFAZHUFQUHS-QGZVFWFLSA-N 1 1 322.456 4.093 20 30 DIEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(C)C)[nH]n3)C2)cc1C#N ZINC001473773059 1061401826 /nfs/dbraw/zinc/40/18/26/1061401826.db2.gz PFNHFAZHUFQUHS-QGZVFWFLSA-N 1 1 322.456 4.093 20 30 DIEDMO COCC1([N@@H+](C)Cc2ccc(-c3ccccc3C#N)cc2)CCC1 ZINC001473777261 1061403670 /nfs/dbraw/zinc/40/36/70/1061403670.db2.gz KPGUTOHELBBTMK-UHFFFAOYSA-N 1 1 320.436 4.226 20 30 DIEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001473801343 1061413508 /nfs/dbraw/zinc/41/35/08/1061413508.db2.gz GDFSVQVXPGDGCB-RCBQFDQVSA-N 1 1 308.347 4.284 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC001473805985 1061417351 /nfs/dbraw/zinc/41/73/51/1061417351.db2.gz KQVGJBDHQKPOLD-PKOBYXMFSA-N 1 1 324.509 4.338 20 30 DIEDMO CCCCCCCCCC[N@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC001473805984 1061418050 /nfs/dbraw/zinc/41/80/50/1061418050.db2.gz KQVGJBDHQKPOLD-MJGOQNOKSA-N 1 1 324.509 4.338 20 30 DIEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC001473861536 1061436515 /nfs/dbraw/zinc/43/65/15/1061436515.db2.gz AXMVMUVTYLUEDL-LBPRGKRZSA-N 1 1 312.816 4.094 20 30 DIEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001473857609 1061437174 /nfs/dbraw/zinc/43/71/74/1061437174.db2.gz YDCWNKREVPHDJM-QGZVFWFLSA-N 1 1 311.425 4.340 20 30 DIEDMO C=CC[C@H]1CC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC001473864938 1061440202 /nfs/dbraw/zinc/44/02/02/1061440202.db2.gz GVUIUNFCVKKQOQ-HNNXBMFYSA-N 1 1 324.262 4.041 20 30 DIEDMO C=CC[C@@H]1CC[N@@H+]1CCCc1ccc(Br)cc1OC ZINC001473864939 1061440299 /nfs/dbraw/zinc/44/02/99/1061440299.db2.gz GVUIUNFCVKKQOQ-OAHLLOKOSA-N 1 1 324.262 4.041 20 30 DIEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC001473868054 1061442448 /nfs/dbraw/zinc/44/24/48/1061442448.db2.gz GBPSFZIZUWJDSS-FQEVSTJZSA-N 1 1 300.405 4.213 20 30 DIEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCc2ccccc2C1 ZINC001473881731 1061448330 /nfs/dbraw/zinc/44/83/30/1061448330.db2.gz WNKVJPYULJSQSH-GOSISDBHSA-N 1 1 310.828 4.201 20 30 DIEDMO C=CCCCCC[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001473905452 1061455049 /nfs/dbraw/zinc/45/50/49/1061455049.db2.gz IYLZXXMKBLVCRQ-KRWDZBQOSA-N 1 1 324.509 4.454 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001252123320 1061582850 /nfs/dbraw/zinc/58/28/50/1061582850.db2.gz FYMJUCNNKZXMLO-FQEVSTJZSA-N 1 1 314.473 4.028 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@H+]1Cc2ccc(OC)cc2C1 ZINC001252130442 1061584562 /nfs/dbraw/zinc/58/45/62/1061584562.db2.gz QLILSQHOIALBQS-GOSISDBHSA-N 1 1 305.462 4.122 20 30 DIEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001252126586 1061584687 /nfs/dbraw/zinc/58/46/87/1061584687.db2.gz QYFAECSVBHZRNW-XHSDSOJGSA-N 1 1 303.437 4.075 20 30 DIEDMO CCCCCCCC[C@@H](O)C[N@@H+]1Cc2cccc(OC)c2C1 ZINC001252129850 1061585386 /nfs/dbraw/zinc/58/53/86/1061585386.db2.gz 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1061769730 /nfs/dbraw/zinc/76/97/30/1061769730.db2.gz RQZJRYSSTZXMKA-MOPGFXCFSA-N 1 1 313.526 4.115 20 30 DIEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001252983490 1061772717 /nfs/dbraw/zinc/77/27/17/1061772717.db2.gz WESXHDIDRBILSE-VQTJNVASSA-N 1 1 324.553 4.048 20 30 DIEDMO CCCCCCCCCC[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001252983490 1061772741 /nfs/dbraw/zinc/77/27/41/1061772741.db2.gz WESXHDIDRBILSE-VQTJNVASSA-N 1 1 324.553 4.048 20 30 DIEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1c2ccccc2CC[C@@H]1F ZINC001474244692 1061808194 /nfs/dbraw/zinc/80/81/94/1061808194.db2.gz BQRPFUIQAUKTIB-PMACEKPBSA-N 1 1 308.400 4.290 20 30 DIEDMO C=CCCC[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1 ZINC001474248576 1061814831 /nfs/dbraw/zinc/81/48/31/1061814831.db2.gz QBVWDQURBYRSBV-INIZCTEOSA-N 1 1 303.837 4.261 20 30 DIEDMO CCCCCCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001465826331 1061820014 /nfs/dbraw/zinc/82/00/14/1061820014.db2.gz SSFVNRDKCCJPES-KRWDZBQOSA-N 1 1 319.493 4.011 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(C)on1 ZINC001253228168 1061834779 /nfs/dbraw/zinc/83/47/79/1061834779.db2.gz PXWYXAQXFQRULO-SJLPKXTDSA-N 1 1 306.450 4.007 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001253239892 1061836930 /nfs/dbraw/zinc/83/69/30/1061836930.db2.gz VGHZUTMSHWAMCA-RTBURBONSA-N 1 1 302.462 4.106 20 30 DIEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CC/C=C/c1cccnc1 ZINC001253238694 1061838300 /nfs/dbraw/zinc/83/83/00/1061838300.db2.gz DJBVCTXFQSDXLW-RGFVMQALSA-N 1 1 316.489 4.304 20 30 DIEDMO C=C[C@@H](O)C[N@H+]1CCCC[C@@H]1C(c1ccccc1)c1ccccc1 ZINC001253578392 1061929954 /nfs/dbraw/zinc/92/99/54/1061929954.db2.gz AJGKHRCOTOZIIK-NHCUHLMSSA-N 1 1 321.464 4.220 20 30 DIEDMO C#CC[N@H+](CCc1cccc(Cl)c1)Cc1ccc(F)cc1 ZINC001474338808 1061934781 /nfs/dbraw/zinc/93/47/81/1061934781.db2.gz FBWLTFQWJDBJCV-UHFFFAOYSA-N 1 1 301.792 4.157 20 30 DIEDMO C=C[C@H](O)CNc1ccc([NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC001253599917 1061938014 /nfs/dbraw/zinc/93/80/14/1061938014.db2.gz 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1062039848 /nfs/dbraw/zinc/03/98/48/1062039848.db2.gz ZWDOWIBUOSMNSG-FQEVSTJZSA-N 1 1 311.375 4.130 20 30 DIEDMO C[C@H]1C[C@@H](CF)[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254353104 1062084550 /nfs/dbraw/zinc/08/45/50/1062084550.db2.gz PVJLZFFRHOEACI-JOFJAFTHSA-N 1 1 318.411 4.210 20 30 DIEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC001254352867 1062085166 /nfs/dbraw/zinc/08/51/66/1062085166.db2.gz HHWMVMPVVGZBDF-BANKROOTSA-N 1 1 312.432 4.262 20 30 DIEDMO C[N@@H+](C1CCCC1)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356759 1062086174 /nfs/dbraw/zinc/08/61/74/1062086174.db2.gz TWQASKUDVRLVOX-UHFFFAOYSA-N 1 1 300.421 4.404 20 30 DIEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001474420433 1062092057 /nfs/dbraw/zinc/09/20/57/1062092057.db2.gz URJRZWXILXDSJV-FQEVSTJZSA-N 1 1 308.400 4.295 20 30 DIEDMO Cc1ccccc1C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC001474425879 1062098385 /nfs/dbraw/zinc/09/83/85/1062098385.db2.gz MLEAOHNRCZZGBB-UHFFFAOYSA-N 1 1 308.400 4.385 20 30 DIEDMO C#CC[N@@H+](C[C@H]1CC2(CO1)CCCCC2)[C@@H]1CCc2ccccc21 ZINC001459345372 1062100315 /nfs/dbraw/zinc/10/03/15/1062100315.db2.gz OGYCMZVZIFXYKX-TZIWHRDSSA-N 1 1 323.480 4.349 20 30 DIEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1F ZINC001459346200 1062101347 /nfs/dbraw/zinc/10/13/47/1062101347.db2.gz KVHKWNCMMMOWSH-CYBMUJFWSA-N 1 1 302.220 4.398 20 30 DIEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](c2ccccc2)O1 ZINC001459349347 1062103206 /nfs/dbraw/zinc/10/32/06/1062103206.db2.gz KPEXXQSNZUNKGK-MJGOQNOKSA-N 1 1 312.457 4.313 20 30 DIEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](c2ccccc2)O1 ZINC001459349347 1062103214 /nfs/dbraw/zinc/10/32/14/1062103214.db2.gz KPEXXQSNZUNKGK-MJGOQNOKSA-N 1 1 312.457 4.313 20 30 DIEDMO CC(C)C[N@@H+](CCOC1CCCCC1)Cc1ccc(C#N)cc1 ZINC001459376382 1062118094 /nfs/dbraw/zinc/11/80/94/1062118094.db2.gz HEZUWFBZTKRQPQ-UHFFFAOYSA-N 1 1 314.473 4.366 20 30 DIEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(Cl)c(F)c1 ZINC001459389724 1062124161 /nfs/dbraw/zinc/12/41/61/1062124161.db2.gz 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CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC001459733783 1062348963 /nfs/dbraw/zinc/34/89/63/1062348963.db2.gz KXJMHYFLCMGLGU-RBUKOAKNSA-N 1 1 314.473 4.168 20 30 DIEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccc(F)cc2Cl)CC1 ZINC001255171743 1062350139 /nfs/dbraw/zinc/35/01/39/1062350139.db2.gz AENVUYRQALOADI-CYBMUJFWSA-N 1 1 310.800 4.015 20 30 DIEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2nc(-c3ccccc3)oc2c1 ZINC001255164039 1062350367 /nfs/dbraw/zinc/35/03/67/1062350367.db2.gz JIDYPPRGZPXLCW-MRXNPFEDSA-N 1 1 305.381 4.277 20 30 DIEDMO CC[C@H](CC#N)[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001255175569 1062351899 /nfs/dbraw/zinc/35/18/99/1062351899.db2.gz RBHWFZIWONYIGI-UXHICEINSA-N 1 1 310.441 4.276 20 30 DIEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001255176662 1062352223 /nfs/dbraw/zinc/35/22/23/1062352223.db2.gz CWMSNQAVRAZJNS-IAGOWNOFSA-N 1 1 300.446 4.345 20 30 DIEDMO CCC[N@@H+](Cc1cccc(Br)c1)[C@H](CC)CC#N ZINC001255175477 1062354047 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CCC#C[C@@H](C)[N@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC001473178726 1063486353 /nfs/dbraw/zinc/48/63/53/1063486353.db2.gz CKGYJMHJUIGLNI-CVEARBPZSA-N 1 1 319.876 4.405 20 30 DIEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CCC=C(C)C)C2 ZINC001258091853 1063512867 /nfs/dbraw/zinc/51/28/67/1063512867.db2.gz BUXBCHFRJFSITH-XUVXKRRUSA-N 1 1 321.505 4.195 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258229966 1063568956 /nfs/dbraw/zinc/56/89/56/1063568956.db2.gz WEADPZDAWGRGLQ-IEBWSBKVSA-N 1 1 308.510 4.118 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001258232204 1063570507 /nfs/dbraw/zinc/57/05/07/1063570507.db2.gz CDJBOHKAFJQXIC-IAGOWNOFSA-N 1 1 317.539 4.025 20 30 DIEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001258232380 1063570761 /nfs/dbraw/zinc/57/07/61/1063570761.db2.gz PNDGXNWBJJMBBD-GUDVDZBRSA-N 1 1 322.537 4.458 20 30 DIEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001258232378 1063572745 /nfs/dbraw/zinc/57/27/45/1063572745.db2.gz PNDGXNWBJJMBBD-FHWLQOOXSA-N 1 1 322.537 4.458 20 30 DIEDMO CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(C#N)c1 ZINC001461632627 1063626650 /nfs/dbraw/zinc/62/66/50/1063626650.db2.gz LYDODXKNBINDQI-UHFFFAOYSA-N 1 1 318.779 4.081 20 30 DIEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](CC)CCCCC)CC2 ZINC001258441399 1063656215 /nfs/dbraw/zinc/65/62/15/1063656215.db2.gz KBJQSZOEVSHATL-UYAOXDASSA-N 1 1 320.521 4.378 20 30 DIEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](CC)CCCCC)CC2 ZINC001258441397 1063656818 /nfs/dbraw/zinc/65/68/18/1063656818.db2.gz KBJQSZOEVSHATL-ICSRJNTNSA-N 1 1 320.521 4.378 20 30 DIEDMO CC1(C)C[C@@H](Nc2cc(F)cc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC001461692531 1063660540 /nfs/dbraw/zinc/66/05/40/1063660540.db2.gz LKIQUZWCDDTZGB-LJQANCHMSA-N 1 1 323.415 4.162 20 30 DIEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562364 1063694384 /nfs/dbraw/zinc/69/43/84/1063694384.db2.gz HQZNFZAFHYTGOZ-HNNXBMFYSA-N 1 1 310.482 4.063 20 30 DIEDMO CCCC[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258709593 1063765290 /nfs/dbraw/zinc/76/52/90/1063765290.db2.gz LTMYLQVQTGWBRB-ZWKOTPCHSA-N 1 1 315.482 4.062 20 30 DIEDMO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CCn2c(C)nnc2C1 ZINC001258713700 1063770451 /nfs/dbraw/zinc/77/04/51/1063770451.db2.gz BLELZZBHTRQWBJ-KRWDZBQOSA-N 1 1 306.498 4.177 20 30 DIEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCn2c(C)nnc2C1 ZINC001258713700 1063770459 /nfs/dbraw/zinc/77/04/59/1063770459.db2.gz BLELZZBHTRQWBJ-KRWDZBQOSA-N 1 1 306.498 4.177 20 30 DIEDMO CCCCCCC[C@@H](CC(C)C)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001258714873 1063773045 /nfs/dbraw/zinc/77/30/45/1063773045.db2.gz WLGHXFVYRVJNDB-HNNXBMFYSA-N 1 1 307.486 4.193 20 30 DIEDMO CCCCCCC[C@H](CC(C)C)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001258714874 1063773412 /nfs/dbraw/zinc/77/34/12/1063773412.db2.gz WLGHXFVYRVJNDB-OAHLLOKOSA-N 1 1 307.486 4.193 20 30 DIEDMO C=CCC[C@@H](C)[N@H+]1CCCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC001258725667 1063778214 /nfs/dbraw/zinc/77/82/14/1063778214.db2.gz 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